diff --git a/.doctrees/api/epcsaft.doctree b/.doctrees/api/epcsaft.doctree
index 6f3d660e0..8ef3efbcb 100644
Binary files a/.doctrees/api/epcsaft.doctree and b/.doctrees/api/epcsaft.doctree differ
diff --git a/.doctrees/api/generated/feos.epcsaft.ElectrolytePcSaftVariants.doctree b/.doctrees/api/generated/feos.epcsaft.ElectrolytePcSaftVariants.doctree
index d1094e4f0..ea9a6f6bf 100644
Binary files a/.doctrees/api/generated/feos.epcsaft.ElectrolytePcSaftVariants.doctree and b/.doctrees/api/generated/feos.epcsaft.ElectrolytePcSaftVariants.doctree differ
diff --git a/.doctrees/environment.pickle b/.doctrees/environment.pickle
index d585be2a2..f722ca1ac 100644
Binary files a/.doctrees/environment.pickle and b/.doctrees/environment.pickle differ
diff --git a/.doctrees/nbsphinx/tutorials/dft/pcsaft/pcsaft_surface_tension.ipynb b/.doctrees/nbsphinx/tutorials/dft/pcsaft/pcsaft_surface_tension.ipynb
index 6d1a0ec0f..fc1bd4b4e 100644
--- a/.doctrees/nbsphinx/tutorials/dft/pcsaft/pcsaft_surface_tension.ipynb
+++ b/.doctrees/nbsphinx/tutorials/dft/pcsaft/pcsaft_surface_tension.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "dfd50988",
+   "id": "dbfb4ab8",
    "metadata": {},
    "source": [
     "# Surface tension using PC-SAFT Helmholtz energy functionals\n",
@@ -16,7 +16,7 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "d2167c61",
+   "id": "add499d3",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -38,7 +38,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a44e0d51",
+   "id": "8b8fa1d2",
    "metadata": {},
    "source": [
     "### Water parameters for PC-SAFT \n",
@@ -49,7 +49,7 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "eec502a4",
+   "id": "a0abfade",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -63,7 +63,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "48b9bb5f",
+   "id": "ce31b9e5",
    "metadata": {},
    "source": [
     "Let's first compute the critical point. We will make use of the critical temperature later."
@@ -72,7 +72,7 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "059a59b4",
+   "id": "2c1c2d21",
    "metadata": {},
    "outputs": [
     {
@@ -98,7 +98,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2de07e01",
+   "id": "cdfb81b4",
    "metadata": {},
    "source": [
     "As you can see, the model overestimates the critical temperature."
@@ -106,7 +106,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "bd0c066d",
+   "id": "d6ce5ba9",
    "metadata": {},
    "source": [
     "## Surface tension for single VLE\n",
@@ -120,7 +120,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "53c9b684",
+   "id": "ac238630",
    "metadata": {},
    "source": [
     "For the VLE, we use the `PhaseEquilibrium.pure` method. Here for $T = 300$ Kelvin."
@@ -129,7 +129,7 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "a7127bd8",
+   "id": "354ef640",
    "metadata": {},
    "outputs": [
     {
@@ -157,7 +157,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e3115a2d",
+   "id": "5a7291b2",
    "metadata": {},
    "source": [
     "Next, we initialize the density profile. For the surface tension, a 1D DFT calculation in Cartesian coordinates is conducted. Thus, the density profile will be an 1D array (we have a single substance). \n",
@@ -172,7 +172,7 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "a54fafda",
+   "id": "2cc8de31",
    "metadata": {},
    "outputs": [
     {
@@ -197,7 +197,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "764a602f",
+   "id": "b5b35eee",
    "metadata": {},
    "source": [
     "The above method does not yet run a calculation. If we try to extract the surface tension, it will return `None`. Let's store the initial density profile for a later comparison."
@@ -206,7 +206,7 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "0b710579",
+   "id": "fa14d039",
    "metadata": {},
    "outputs": [
     {
@@ -226,7 +226,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a7c15de1",
+   "id": "643b7150",
    "metadata": {},
    "source": [
     "To calculate the equilibrium density profile, we have to call the `solve()` method:"
@@ -235,7 +235,7 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "084db69e",
+   "id": "ab4853ca",
    "metadata": {},
    "outputs": [
     {
@@ -254,7 +254,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0c779a24",
+   "id": "77709c32",
    "metadata": {},
    "source": [
     "`solve()` calculates the equilibrium density profile and returns the `PlanarInterface` object so that we can readily extract the `surface_tension`.\n",
@@ -265,7 +265,7 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "eac465d3",
+   "id": "2f9f39c0",
    "metadata": {},
    "outputs": [
     {
@@ -294,7 +294,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "eed43680",
+   "id": "2f983792",
    "metadata": {},
    "source": [
     "## Comparison to NIST data using `SurfaceTensionDiagram`\n",
@@ -305,7 +305,7 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "d81f59e4",
+   "id": "b7a25d20",
    "metadata": {},
    "outputs": [
     {
@@ -543,7 +543,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "52c7cb8c",
+   "id": "61b08440",
    "metadata": {},
    "source": [
     "For the `SurfaceTensionDiagram`, we need to provide the VLE's. We compute those using the `PhaseDiagram` object (here for 50 temperatures between 275 Kelvin and the critical temperature) from which we get a list of `PhaseEquilibrium`s via the `states` filed. The `SurfaceTensionDiagram` is nice, because we can reuse equilibrium density profiles from prior iterations as input for the next iteration. It's therefore typically faster and more stable than an \"naive\" implementation by hand.\n",
@@ -554,7 +554,7 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "2bd95f3f",
+   "id": "0e36f7b6",
    "metadata": {},
    "outputs": [
     {
@@ -584,7 +584,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "499a0a6b",
+   "id": "10485941",
    "metadata": {},
    "source": [
     "We now can extract all surface tensions via `surface_tension` as well as the liquid and vapor states via the `liquid` and `vapor` getters, respectively. Let's store the results in a pandas `DataFrame` to make plotting easier."
@@ -593,7 +593,7 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "6cc6b2fd",
+   "id": "8b8819d0",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -609,7 +609,7 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "780479bb",
+   "id": "c1eac6b2",
    "metadata": {},
    "outputs": [
     {
@@ -640,7 +640,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ecf7d310",
+   "id": "8050c170",
    "metadata": {},
    "source": [
     "## Concluding remkars\n",
diff --git a/.doctrees/nbsphinx/tutorials/eos/pcsaft/pcsaft_entropy_scaling.ipynb b/.doctrees/nbsphinx/tutorials/eos/pcsaft/pcsaft_entropy_scaling.ipynb
index c426860f1..6e8e8a056 100644
--- a/.doctrees/nbsphinx/tutorials/eos/pcsaft/pcsaft_entropy_scaling.ipynb
+++ b/.doctrees/nbsphinx/tutorials/eos/pcsaft/pcsaft_entropy_scaling.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "c50faaf4",
+   "id": "e8c4a511",
    "metadata": {},
    "source": [
     "# Entropy scaling of pure substances\n",
@@ -19,7 +19,7 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "6ba319ea",
+   "id": "d49934cd",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -38,7 +38,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f1eac082",
+   "id": "808e0786",
    "metadata": {},
    "source": [
     "## PC-SAFT (individual component parameters)\n",
@@ -49,7 +49,7 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "354df924",
+   "id": "55e877bb",
    "metadata": {},
    "outputs": [
     {
@@ -82,7 +82,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8666997e",
+   "id": "e8f76ec7",
    "metadata": {},
    "source": [
     "## PC-SAFT homo-GC\n",
@@ -93,7 +93,7 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "1a47244f",
+   "id": "40ed6c1e",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -160,7 +160,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "40fa3f1b",
+   "id": "931583c9",
    "metadata": {},
    "source": [
     "### Build equations of state\n",
@@ -171,7 +171,7 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "45ae67d8",
+   "id": "8347df12",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -185,7 +185,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f45d41eb",
+   "id": "e4424268",
    "metadata": {},
    "source": [
     "### Compare parameters"
@@ -194,7 +194,7 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "c200bd16",
+   "id": "416e49e9",
    "metadata": {},
    "outputs": [
     {
@@ -213,7 +213,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8da154dc",
+   "id": "a64ac761",
    "metadata": {},
    "source": [
     "## Compare methods to NIST data (T = 450 K)\n",
@@ -224,7 +224,7 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "84c6382c",
+   "id": "5269d6ee",
    "metadata": {},
    "outputs": [
     {
@@ -396,7 +396,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "6defa9f4",
+   "id": "aff17a58",
    "metadata": {},
    "source": [
     "We loop through experimental data, read temperature, pressure and the phase (liquid or vapor) and generate `State` objects for the experimental conditions. Then, we compute the residual molar entropy and the logarithmic reduced viscosity."
@@ -405,7 +405,7 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "b1570853",
+   "id": "632fcc25",
    "metadata": {},
    "outputs": [
     {
@@ -560,7 +560,7 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "0ee4de6b",
+   "id": "dda730b6",
    "metadata": {},
    "outputs": [
     {
@@ -591,7 +591,7 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "2f3f2b13",
+   "id": "e2843824",
    "metadata": {},
    "outputs": [
     {
diff --git a/api/epcsaft.html b/api/epcsaft.html
index b9ee8871e..8f1ca19d8 100644
--- a/api/epcsaft.html
+++ b/api/epcsaft.html
@@ -1403,7 +1403,7 @@ <h2>Data types<a class="headerlink" href="#data-types" title="Link to this headi
 <td><p></p></td>
 </tr>
 <tr class="row-odd"><td><p><a class="reference internal" href="generated/feos.epcsaft.ElectrolytePcSaftVariants.html#feos.epcsaft.ElectrolytePcSaftVariants" title="feos.epcsaft.ElectrolytePcSaftVariants"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ElectrolytePcSaftVariants</span></code></a></p></td>
-<td><p>Customization options for the ePC-SAFT equation of state.</p></td>
+<td><p>Implemented variants of the ePC-SAFT equation of state.</p></td>
 </tr>
 <tr class="row-even"><td><p><a class="reference internal" href="generated/feos.epcsaft.ElectrolytePcSaftRecord.html#feos.epcsaft.ElectrolytePcSaftRecord" title="feos.epcsaft.ElectrolytePcSaftRecord"><code class="xref py py-obj docutils literal notranslate"><span class="pre">ElectrolytePcSaftRecord</span></code></a></p></td>
 <td><p><dl class="field-list simple">
diff --git a/api/generated/feos.epcsaft.ElectrolytePcSaftVariants.html b/api/generated/feos.epcsaft.ElectrolytePcSaftVariants.html
index 0cc54bbce..3962681b6 100644
--- a/api/generated/feos.epcsaft.ElectrolytePcSaftVariants.html
+++ b/api/generated/feos.epcsaft.ElectrolytePcSaftVariants.html
@@ -1378,7 +1378,7 @@ <h1>feos.epcsaft.ElectrolytePcSaftVariants<a class="headerlink" href="#feos-epcs
 <dl class="py class">
 <dt class="sig sig-object py" id="feos.epcsaft.ElectrolytePcSaftVariants">
 <em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-prename descclassname"><span class="pre">feos.epcsaft.</span></span><span class="sig-name descname"><span class="pre">ElectrolytePcSaftVariants</span></span><a class="headerlink" href="#feos.epcsaft.ElectrolytePcSaftVariants" title="Link to this definition">¶</a></dt>
-<dd><p>Customization options for the ePC-SAFT equation of state.</p>
+<dd><p>Implemented variants of the ePC-SAFT equation of state.</p>
 <p class="rubric">Methods</p>
 <div class="table-wrapper autosummary longtable docutils container">
 <table class="autosummary longtable docutils align-default">
diff --git a/searchindex.js b/searchindex.js
index 969f5dbb6..8c93d55f7 100644
--- a/searchindex.js
+++ b/searchindex.js
@@ -1 +1 @@
-Search.setIndex({"alltitles": {"API": [[754, "api"], [773, "api"]], "Accessing information from parameter objects": [[798, "Accessing-information-from-parameter-objects"]], "Additional Traits": [[774, "additional-traits"]], "Adsorption": [[0, "adsorption"]], "Anderson mixing": [[784, "anderson-mixing"]], "Array Valued Properties": [[776, "array-valued-properties"]], "Arrays of quantities": [[803, "Arrays-of-quantities"]], "Association": [[787, "association"]], "Build equations of state": [[795, "Build-equations-of-state"]], "Building a pandas.DataFrame: the to_dict method": [[796, "Building-a-pandas.DataFrame:-the-to_dict-method"]], "Building parameters in Python": [[798, "Building-parameters-in-Python"]], "Caching partial derivatives of the Helmholtz energy": [[797, "Caching-partial-derivatives-of-the-Helmholtz-energy"]], "Calculation of the enthalpy of adsorption from classical DFT": [[779, "calculation-of-the-enthalpy-of-adsorption-from-classical-dft"]], "Calculation of the fraction of non-bonded association sites": [[787, "calculation-of-the-fraction-of-non-bonded-association-sites"]], "Classical density functional theory": [[782, "classical-density-functional-theory"]], "Clausius-Clapeyron relation for porous media": [[779, "clausius-clapeyron-relation-for-porous-media"]], "Combined expression": [[780, "combined-expression"]], "Compare methods to NIST data (T = 450 K)": [[795, "Compare-methods-to-NIST-data-(T-=-450-K)"]], "Compare parameters": [[795, "Compare-parameters"]], "Comparison to NIST data using SurfaceTensionDiagram": [[792, "Comparison-to-NIST-data-using-SurfaceTensionDiagram"]], "Comparison to Rust implementation": [[799, "Comparison-to-Rust-implementation"]], "Computing Thermodynamic Properties": [[776, "computing-thermodynamic-properties"]], "Computing properties": [[797, "Computing-properties"], [799, "Computing-properties"]], "Concluding remkars": [[792, "Concluding-remkars"], [797, "Concluding-remkars"], [798, "Concluding-remkars"], [803, "Concluding-remkars"]], "Constructors": [[797, "Constructors"]], "Contributions to the Helmholtz energy": [[797, "Contributions-to-the-Helmholtz-energy"]], "Critical point": [[799, "Critical-point"]], "Critical point of a pure substance": [[767, "Critical-point-of-a-pure-substance"]], "Critical points and phase equilibria": [[766, "critical-points-and-phase-equilibria"]], "DFT": [[766, "dft"]], "DFT solvers": [[784, "dft-solvers"]], "Data types": [[1, "data-types"], [3, "data-types"], [4, "data-types"], [755, "data-types"], [756, "data-types"], [757, "data-types"], [758, "data-types"], [759, "data-types"], [760, "data-types"], [761, "data-types"], [762, "data-types"]], "Density functional theory": [[790, "density-functional-theory"]], "Derivatives of density profiles": [[778, "derivatives-of-density-profiles"]], "Derived units, constants and prefixes": [[803, "Derived-units,-constants-and-prefixes"]], "Do we need to create dual numbers by hand?": [[802, "Do-we-need-to-create-dual-numbers-by-hand?"]], "Dual Numbers": [[802, "Dual-Numbers"]], "Dynamic properties (entropy scaling)": [[797, "Dynamic-properties-(entropy-scaling)"]], "Dynamic properties via entropy scaling": [[797, "Dynamic-properties-via-entropy-scaling"]], "Enthalpy of adsorption": [[779, "enthalpy-of-adsorption"]], "Enthalpy of adsorption and the Clausius-Clapeyron relation": [[779, "enthalpy-of-adsorption-and-the-clausius-clapeyron-relation"]], "Entropy scaling of pure substances": [[795, "Entropy-scaling-of-pure-substances"]], "Entropy, again!": [[776, "entropy-again"]], "EquationOfState": [[2, "equationofstate"]], "Equations of state": [[785, "equations-of-state"], [793, "equations-of-state"]], "Euler-Lagrange equation": [[780, "euler-lagrange-equation"]], "Example": [[3, "example"], [4, "example"], [756, "example"], [758, "example"], [759, "example"], [760, "example"], [762, "example"]], "Example usage": [[761, "example-usage"]], "Example: Combine a DIPPR ideal gas model with PC-SAFT": [[1, "example-combine-a-dippr-ideal-gas-model-with-pc-saft"]], "Example: Combine the ideal gas model of Joback & Reid with PC-SAFT": [[755, "example-combine-the-ideal-gas-model-of-joback-reid-with-pc-saft"]], "Features": [[764, "features"]], "Fields": [[797, "Fields"]], "From Python": [[798, "From-Python"]], "From a single file": [[798, "From-a-single-file"]], "From json files": [[798, "From-json-files"]], "From multiple files": [[798, "From-multiple-files"]], "Functional derivatives": [[781, "functional-derivatives"]], "Fundamental measure theory": [[788, "fundamental-measure-theory"]], "Further reading": [[798, "Further-reading"]], "Generalized (Hyper-) Dual Numbers": [[776, "generalized-hyper-dual-numbers"]], "Get PureRecords via parameters.pure_records": [[798, "Get-PureRecords-via-parameters.pure_records"]], "Getting started": [[764, "getting-started"]], "Goal": [[795, "Goal"], [798, "Goal"], [803, "Goal"]], "Goal of this notebook": [[792, "Goal-of-this-notebook"], [796, "Goal-of-this-notebook"], [797, "Goal-of-this-notebook"]], "Guide": [[777, "guide"]], "Hard spheres": [[788, "hard-spheres"]], "Helmholtz Energy Contributions": [[776, "helmholtz-energy-contributions"]], "Helmholtz energy functional": [[787, "helmholtz-energy-functional"]], "HelmholtzEnergyFunctional": [[0, "helmholtzenergyfunctional"]], "Help & Feedback": [[763, "help-feedback"]], "Heterosegmented chains": [[780, "heterosegmented-chains"]], "Homosegmented chains": [[780, "homosegmented-chains"]], "How to Add a New Property": [[776, "how-to-add-a-new-property"]], "Implementation": [[799, "Implementation"]], "Implementing an equation of state in python": [[799, "Implementing-an-equation-of-state-in-python"]], "Import": [[2, "import"]], "Import needed packages": [[795, "Import-needed-packages"]], "Important crates": [[775, "important-crates"]], "Installation": [[765, "installation"]], "Interfaces": [[0, "interfaces"]], "Introduction": [[777, "introduction"]], "List of State methods and fields": [[797, "List-of-State-methods-and-fields"]], "List of properties available in \\text{FeO}_\\text{s}": [[786, "list-of-properties-available-in-text-feo-text-s"]], "Mass related and mass specific properties": [[797, "Mass-related-and-mass-specific-properties"]], "Mathematical operations and interaction with numpy": [[803, "Mathematical-operations-and-interaction-with-numpy"]], "Mixtures": [[798, "Mixtures"], [799, "Mixtures"]], "Model specific modules": [[754, "model-specific-modules"]], "Models": [[789, "models"]], "Models defined in Python": [[2, "models-defined-in-python"]], "Modules": [[754, "modules"]], "Newton algorithm": [[784, "newton-algorithm"]], "On Dual Numbers in FeOs": [[802, "On-Dual-Numbers-in-FeOs"]], "Other data types": [[0, "other-data-types"], [2, "other-data-types"]], "PC-SAFT": [[791, "pc-saft"], [794, "pc-saft"]], "PC-SAFT (individual component parameters)": [[795, "PC-SAFT-(individual-component-parameters)"]], "PC-SAFT expression for the association strength": [[787, "pc-saft-expression-for-the-association-strength"]], "PC-SAFT homo-GC": [[795, "PC-SAFT-homo-GC"]], "Parameters and the equation of state": [[798, "Parameters-and-the-equation-of-state"]], "Parameters from homo-segmented group contribution (homo-GC)": [[798, "Parameters-from-homo-segmented-group-contribution-(homo-GC)"]], "Phase Diagram": [[799, "Phase-Diagram"]], "Phase diagram of a pure substance": [[769, "Phase-diagram-of-a-pure-substance"]], "Phase equilibria and phase diagrams": [[799, "Phase-equilibria-and-phase-diagrams"]], "Phase equilibrium of a pure substance": [[770, "Phase-equilibrium-of-a-pure-substance"]], "PhaseEquilibrium: State objects at phase equilibrium": [[797, "PhaseEquilibrium:-State-objects-at-phase-equilibrium"]], "Picard iteration": [[784, "picard-iteration"]], "Plots": [[766, "plots"]], "Predictive density gradient theory": [[783, "predictive-density-gradient-theory"]], "Prerequisites": [[777, "prerequisites"]], "Project Structure": [[777, "project-structure"]], "Properties": [[786, "properties"]], "Properties and dual numbers": [[802, "Properties-and-dual-numbers"]], "Pure substance": [[798, "Pure-substance"]], "Pure substance phase diagrams": [[796, "Pure-substance-phase-diagrams"]], "Python": [[800, "python"]], "Read parameters from json file(s)": [[798, "Read-parameters-from-json-file(s)"]], "Read parameters from json for a single substance and generate PcSaft object": [[796, "Read-parameters-from-json-for-a-single-substance-and-generate-PcSaft-object"]], "Recipes": [[766, "recipes"]], "Representation of thermodynamic states": [[797, "Representation-of-thermodynamic-states"]], "Residual Helmholtz Energy": [[774, "residual-helmholtz-energy"]], "Residual properties": [[786, "residual-properties"]], "SAFT-VR Mie expression for the association strength": [[787, "saft-vr-mie-expression-for-the-association-strength"]], "Setup": [[775, "setup"]], "Solvation": [[0, "solvation"]], "Spherical molecules": [[780, "spherical-molecules"]], "Stability analysis": [[797, "Stability-analysis"]], "State at critical conditions": [[797, "State-at-critical-conditions"]], "Stored information": [[796, "Stored-information"], [797, "Stored-information"]], "Summary": [[774, "summary"], [776, "summary"], [798, "Summary"], [802, "Summary"], [803, "Summary"]], "Surface tension diagram of a pure substance": [[771, "Surface-tension-diagram-of-a-pure-substance"]], "Surface tension for single VLE": [[792, "Surface-tension-for-single-VLE"]], "Surface tension of a pure substance": [[772, "Surface-tension-of-a-pure-substance"]], "Surface tension using PC-SAFT Helmholtz energy functionals": [[792, "Surface-tension-using-PC-SAFT-Helmholtz-energy-functionals"]], "Table of contents": [[799, "Table-of-contents"]], "The EntropyScaling Trait": [[774, "the-entropyscaling-trait"]], "The EquationOfState Trait": [[774, "the-equationofstate-trait"]], "The HelmholtzEnergyDual and HelmholtzEnergy Traits": [[774, "the-helmholtzenergydual-and-helmholtzenergy-traits"]], "The Ideal Gas Contribution": [[774, "the-ideal-gas-contribution"]], "The MolarWeight Trait": [[774, "the-molarweight-trait"]], "The PhaseDiagram object": [[796, "The-PhaseDiagram-object"]], "The PhaseEquilibrium object": [[796, "The-PhaseEquilibrium-object"]], "The State object": [[797, "The-State-object"]], "The StateHD Struct": [[776, "the-statehd-struct"]], "The default constructor": [[797, "The-default-constructor"]], "The estimator module": [[2, "the-estimator-module"]], "The feos.si module": [[803, "The-feos.si-module"]], "The natural variables of State": [[776, "the-natural-variables-of-state"]], "The states method returns all PhaseEquilibrium objects from PhaseDiagram": [[796, "The-states-method-returns-all-PhaseEquilibrium-objects-from-PhaseDiagram"]], "Thermodynamic States": [[776, "thermodynamic-states"]], "Thermodynamic properties": [[797, "Thermodynamic-properties"]], "Thermodynamic state: the State object": [[799, "Thermodynamic-state:-the-State-object"]], "Tutorials": [[801, "tutorials"]], "Usage": [[764, "usage"]], "Utility": [[804, "utility"]], "Vapor pressure and boiling temperature of a pure substance": [[768, "Vapor-pressure-and-boiling-temperature-of-a-pure-substance"]], "Want to learn more?": [[764, "want-to-learn-more"]], "Water parameters for PC-SAFT": [[792, "Water-parameters-for-PC-SAFT"]], "Welcome to \\text{FeO}_\\text{s}": [[764, "welcome-to-text-feo-text-s"]], "Where to Get Help": [[777, "where-to-get-help"]], "With binary interaction parameters": [[798, "With-binary-interaction-parameters"]], "Working with SI-units": [[803, "Working-with-SI-units"]], "Working with parameters": [[798, "Working-with-parameters"]], "feos-core": [[775, "feos-core"]], "feos.cubic": [[757, "feos-cubic"]], "feos.cubic.BinaryRecord": [[5, "feos-cubic-binaryrecord"]], "feos.cubic.BinaryRecord.__init__": [[6, "feos-cubic-binaryrecord-init"]], "feos.cubic.BinaryRecord.from_json": [[7, "feos-cubic-binaryrecord-from-json"]], "feos.cubic.BinaryRecord.from_json_str": [[8, "feos-cubic-binaryrecord-from-json-str"]], "feos.cubic.BinaryRecord.to_json_str": [[9, "feos-cubic-binaryrecord-to-json-str"]], "feos.cubic.ChemicalRecord": [[10, "feos-cubic-chemicalrecord"]], "feos.cubic.ChemicalRecord.__init__": [[11, "feos-cubic-chemicalrecord-init"]], "feos.cubic.ChemicalRecord.from_json_str": [[12, "feos-cubic-chemicalrecord-from-json-str"]], "feos.cubic.ChemicalRecord.from_smiles": [[13, "feos-cubic-chemicalrecord-from-smiles"]], "feos.cubic.ChemicalRecord.to_json_str": [[14, "feos-cubic-chemicalrecord-to-json-str"]], "feos.cubic.Identifier": [[15, "feos-cubic-identifier"]], "feos.cubic.Identifier.__init__": [[16, "feos-cubic-identifier-init"]], "feos.cubic.Identifier.from_json_str": [[17, "feos-cubic-identifier-from-json-str"]], "feos.cubic.Identifier.to_json_str": [[18, "feos-cubic-identifier-to-json-str"]], "feos.cubic.PengRobinsonParameters": [[19, "feos-cubic-pengrobinsonparameters"]], "feos.cubic.PengRobinsonParameters.__init__": [[20, "feos-cubic-pengrobinsonparameters-init"]], "feos.cubic.PengRobinsonParameters.from_json": [[21, "feos-cubic-pengrobinsonparameters-from-json"]], "feos.cubic.PengRobinsonParameters.from_model_records": [[22, "feos-cubic-pengrobinsonparameters-from-model-records"]], "feos.cubic.PengRobinsonParameters.from_multiple_json": [[23, "feos-cubic-pengrobinsonparameters-from-multiple-json"]], "feos.cubic.PengRobinsonParameters.from_records": [[24, "feos-cubic-pengrobinsonparameters-from-records"]], "feos.cubic.PengRobinsonParameters.new_binary": [[25, "feos-cubic-pengrobinsonparameters-new-binary"]], "feos.cubic.PengRobinsonParameters.new_pure": [[26, "feos-cubic-pengrobinsonparameters-new-pure"]], "feos.cubic.PengRobinsonRecord": [[27, "feos-cubic-pengrobinsonrecord"]], "feos.cubic.PengRobinsonRecord.__init__": [[28, "feos-cubic-pengrobinsonrecord-init"]], "feos.cubic.PengRobinsonRecord.from_json_str": [[29, "feos-cubic-pengrobinsonrecord-from-json-str"]], "feos.cubic.PengRobinsonRecord.to_json_str": [[30, "feos-cubic-pengrobinsonrecord-to-json-str"]], "feos.cubic.PureRecord": [[31, "feos-cubic-purerecord"]], "feos.cubic.PureRecord.__init__": [[32, "feos-cubic-purerecord-init"]], "feos.cubic.PureRecord.from_json_str": [[33, "feos-cubic-purerecord-from-json-str"]], "feos.cubic.PureRecord.to_json_str": [[34, "feos-cubic-purerecord-to-json-str"]], "feos.dft": [[0, "feos-dft"]], "feos.dft.Adsorption1D": [[35, "feos-dft-adsorption1d"]], "feos.dft.Adsorption1D.__init__": [[36, "feos-dft-adsorption1d-init"]], "feos.dft.Adsorption1D.adsorption_isotherm": [[37, "feos-dft-adsorption1d-adsorption-isotherm"]], "feos.dft.Adsorption1D.desorption_isotherm": [[38, "feos-dft-adsorption1d-desorption-isotherm"]], "feos.dft.Adsorption1D.equilibrium_isotherm": [[39, "feos-dft-adsorption1d-equilibrium-isotherm"]], "feos.dft.Adsorption1D.phase_equilibrium": [[40, "feos-dft-adsorption1d-phase-equilibrium"]], "feos.dft.Adsorption3D": [[41, "feos-dft-adsorption3d"]], "feos.dft.Adsorption3D.__init__": [[42, "feos-dft-adsorption3d-init"]], "feos.dft.Adsorption3D.adsorption_isotherm": [[43, "feos-dft-adsorption3d-adsorption-isotherm"]], "feos.dft.Adsorption3D.desorption_isotherm": [[44, "feos-dft-adsorption3d-desorption-isotherm"]], "feos.dft.Adsorption3D.equilibrium_isotherm": [[45, "feos-dft-adsorption3d-equilibrium-isotherm"]], "feos.dft.Adsorption3D.phase_equilibrium": [[46, "feos-dft-adsorption3d-phase-equilibrium"]], "feos.dft.Contributions": [[47, "feos-dft-contributions"]], "feos.dft.Contributions.__init__": [[48, "feos-dft-contributions-init"]], "feos.dft.DFTSolver": [[49, "feos-dft-dftsolver"]], "feos.dft.DFTSolver.__init__": [[50, "feos-dft-dftsolver-init"]], "feos.dft.DFTSolver.anderson_mixing": [[51, "feos-dft-dftsolver-anderson-mixing"]], "feos.dft.DFTSolver.newton": [[52, "feos-dft-dftsolver-newton"]], "feos.dft.DFTSolver.picard_iteration": [[53, "feos-dft-dftsolver-picard-iteration"]], "feos.dft.ExternalPotential": [[54, "feos-dft-externalpotential"]], "feos.dft.ExternalPotential.CustomLJ93": [[55, "feos-dft-externalpotential-customlj93"]], "feos.dft.ExternalPotential.CustomSteele": [[56, "feos-dft-externalpotential-customsteele"]], "feos.dft.ExternalPotential.DoubleWell": [[57, "feos-dft-externalpotential-doublewell"]], "feos.dft.ExternalPotential.FreeEnergyAveraged": [[58, "feos-dft-externalpotential-freeenergyaveraged"]], "feos.dft.ExternalPotential.HardWall": [[59, "feos-dft-externalpotential-hardwall"]], "feos.dft.ExternalPotential.LJ93": [[60, "feos-dft-externalpotential-lj93"]], "feos.dft.ExternalPotential.SimpleLJ93": [[61, "feos-dft-externalpotential-simplelj93"]], "feos.dft.ExternalPotential.Steele": [[62, "feos-dft-externalpotential-steele"]], "feos.dft.ExternalPotential.__init__": [[63, "feos-dft-externalpotential-init"]], "feos.dft.FMTVersion": [[64, "feos-dft-fmtversion"]], "feos.dft.FMTVersion.__init__": [[65, "feos-dft-fmtversion-init"]], "feos.dft.Geometry": [[66, "feos-dft-geometry"]], "feos.dft.Geometry.__init__": [[67, "feos-dft-geometry-init"]], "feos.dft.HelmholtzEnergyFunctional": [[68, "feos-dft-helmholtzenergyfunctional"]], "feos.dft.HelmholtzEnergyFunctional.__init__": [[69, "feos-dft-helmholtzenergyfunctional-init"]], "feos.dft.HelmholtzEnergyFunctional.fmt": [[70, "feos-dft-helmholtzenergyfunctional-fmt"]], "feos.dft.HelmholtzEnergyFunctional.gc_pcsaft": [[71, "feos-dft-helmholtzenergyfunctional-gc-pcsaft"]], "feos.dft.HelmholtzEnergyFunctional.max_density": [[72, "feos-dft-helmholtzenergyfunctional-max-density"]], "feos.dft.HelmholtzEnergyFunctional.pcsaft": [[73, "feos-dft-helmholtzenergyfunctional-pcsaft"]], "feos.dft.HelmholtzEnergyFunctional.pets": [[74, "feos-dft-helmholtzenergyfunctional-pets"]], "feos.dft.HelmholtzEnergyFunctional.saftvrqmie": [[75, "feos-dft-helmholtzenergyfunctional-saftvrqmie"]], "feos.dft.PairCorrelation": [[76, "feos-dft-paircorrelation"]], "feos.dft.PairCorrelation.__init__": [[77, "feos-dft-paircorrelation-init"]], "feos.dft.PairCorrelation.entropy": [[78, "feos-dft-paircorrelation-entropy"]], "feos.dft.PairCorrelation.entropy_density": [[79, "feos-dft-paircorrelation-entropy-density"]], "feos.dft.PairCorrelation.internal_energy": [[80, "feos-dft-paircorrelation-internal-energy"]], "feos.dft.PairCorrelation.residual": [[81, "feos-dft-paircorrelation-residual"]], "feos.dft.PairCorrelation.solve": [[82, "feos-dft-paircorrelation-solve"]], "feos.dft.PhaseDiagram": [[83, "feos-dft-phasediagram"]], "feos.dft.PhaseDiagram.__init__": [[84, "feos-dft-phasediagram-init"]], "feos.dft.PhaseDiagram.binary_vle": [[85, "feos-dft-phasediagram-binary-vle"]], "feos.dft.PhaseDiagram.binary_vlle": [[86, "feos-dft-phasediagram-binary-vlle"]], "feos.dft.PhaseDiagram.bubble_point_line": [[87, "feos-dft-phasediagram-bubble-point-line"]], "feos.dft.PhaseDiagram.dew_point_line": [[88, "feos-dft-phasediagram-dew-point-line"]], "feos.dft.PhaseDiagram.lle": [[89, "feos-dft-phasediagram-lle"]], "feos.dft.PhaseDiagram.par_pure": [[90, "feos-dft-phasediagram-par-pure"]], "feos.dft.PhaseDiagram.pure": [[91, "feos-dft-phasediagram-pure"]], "feos.dft.PhaseDiagram.spinodal": [[92, "feos-dft-phasediagram-spinodal"]], "feos.dft.PhaseDiagram.to_dict": [[93, "feos-dft-phasediagram-to-dict"]], "feos.dft.PhaseEquilibrium": [[94, "feos-dft-phaseequilibrium"]], "feos.dft.PhaseEquilibrium.__init__": [[95, "feos-dft-phaseequilibrium-init"]], "feos.dft.PhaseEquilibrium.boiling_temperature": [[96, "feos-dft-phaseequilibrium-boiling-temperature"]], "feos.dft.PhaseEquilibrium.bubble_point": [[97, "feos-dft-phaseequilibrium-bubble-point"]], "feos.dft.PhaseEquilibrium.dew_point": [[98, "feos-dft-phaseequilibrium-dew-point"]], "feos.dft.PhaseEquilibrium.heteroazeotrope": [[99, "feos-dft-phaseequilibrium-heteroazeotrope"]], "feos.dft.PhaseEquilibrium.new_npt": [[100, "feos-dft-phaseequilibrium-new-npt"]], "feos.dft.PhaseEquilibrium.pure": [[101, "feos-dft-phaseequilibrium-pure"]], "feos.dft.PhaseEquilibrium.tp_flash": [[102, "feos-dft-phaseequilibrium-tp-flash"]], "feos.dft.PhaseEquilibrium.vapor_pressure": [[103, "feos-dft-phaseequilibrium-vapor-pressure"]], "feos.dft.PhaseEquilibrium.vle_pure_comps": [[104, "feos-dft-phaseequilibrium-vle-pure-comps"]], "feos.dft.PlanarInterface": [[105, "feos-dft-planarinterface"]], "feos.dft.PlanarInterface.__init__": [[106, "feos-dft-planarinterface-init"]], "feos.dft.PlanarInterface.entropy": [[107, "feos-dft-planarinterface-entropy"]], "feos.dft.PlanarInterface.entropy_density": [[108, "feos-dft-planarinterface-entropy-density"]], "feos.dft.PlanarInterface.from_density_profile": [[109, "feos-dft-planarinterface-from-density-profile"]], "feos.dft.PlanarInterface.from_pdgt": [[110, "feos-dft-planarinterface-from-pdgt"]], "feos.dft.PlanarInterface.from_tanh": [[111, "feos-dft-planarinterface-from-tanh"]], "feos.dft.PlanarInterface.interfacial_enrichment": [[112, "feos-dft-planarinterface-interfacial-enrichment"]], "feos.dft.PlanarInterface.interfacial_thickness": [[113, "feos-dft-planarinterface-interfacial-thickness"]], "feos.dft.PlanarInterface.internal_energy": [[114, "feos-dft-planarinterface-internal-energy"]], "feos.dft.PlanarInterface.relative_adsorption": [[115, "feos-dft-planarinterface-relative-adsorption"]], "feos.dft.PlanarInterface.residual": [[116, "feos-dft-planarinterface-residual"]], "feos.dft.PlanarInterface.solve": [[117, "feos-dft-planarinterface-solve"]], "feos.dft.Pore1D": [[118, "feos-dft-pore1d"]], "feos.dft.Pore1D.__init__": [[119, "feos-dft-pore1d-init"]], "feos.dft.Pore1D.initialize": [[120, "feos-dft-pore1d-initialize"]], "feos.dft.Pore2D": [[121, "feos-dft-pore2d"]], "feos.dft.Pore2D.__init__": [[122, "feos-dft-pore2d-init"]], "feos.dft.Pore2D.initialize": [[123, "feos-dft-pore2d-initialize"]], "feos.dft.Pore3D": [[124, "feos-dft-pore3d"]], "feos.dft.Pore3D.__init__": [[125, "feos-dft-pore3d-init"]], "feos.dft.Pore3D.initialize": [[126, "feos-dft-pore3d-initialize"]], "feos.dft.SolvationProfile": [[127, "feos-dft-solvationprofile"]], "feos.dft.SolvationProfile.__init__": [[128, "feos-dft-solvationprofile-init"]], "feos.dft.SolvationProfile.entropy": [[129, "feos-dft-solvationprofile-entropy"]], "feos.dft.SolvationProfile.entropy_density": [[130, "feos-dft-solvationprofile-entropy-density"]], "feos.dft.SolvationProfile.internal_energy": [[131, "feos-dft-solvationprofile-internal-energy"]], "feos.dft.SolvationProfile.residual": [[132, "feos-dft-solvationprofile-residual"]], "feos.dft.SolvationProfile.solve": [[133, "feos-dft-solvationprofile-solve"]], "feos.dft.State": [[134, "feos-dft-state"]], "feos.dft.State.__init__": [[135, "feos-dft-state-init"]], "feos.dft.State.chemical_potential": [[136, "feos-dft-state-chemical-potential"]], "feos.dft.State.chemical_potential_contributions": [[137, "feos-dft-state-chemical-potential-contributions"]], "feos.dft.State.compressibility": [[138, "feos-dft-state-compressibility"]], "feos.dft.State.critical_point": [[139, "feos-dft-state-critical-point"]], "feos.dft.State.critical_point_binary": [[140, "feos-dft-state-critical-point-binary"]], "feos.dft.State.critical_point_pure": [[141, "feos-dft-state-critical-point-pure"]], "feos.dft.State.d2p_drho2": [[142, "feos-dft-state-d2p-drho2"]], "feos.dft.State.d2p_dv2": [[143, "feos-dft-state-d2p-dv2"]], "feos.dft.State.dc_v_dt": [[144, "feos-dft-state-dc-v-dt"]], "feos.dft.State.dln_phi_dnj": [[145, "feos-dft-state-dln-phi-dnj"]], "feos.dft.State.dln_phi_dp": [[146, "feos-dft-state-dln-phi-dp"]], "feos.dft.State.dln_phi_dt": [[147, "feos-dft-state-dln-phi-dt"]], "feos.dft.State.dmu_dni": [[148, "feos-dft-state-dmu-dni"]], "feos.dft.State.dmu_dt": [[149, "feos-dft-state-dmu-dt"]], "feos.dft.State.dp_dni": [[150, "feos-dft-state-dp-dni"]], "feos.dft.State.dp_drho": [[151, "feos-dft-state-dp-drho"]], "feos.dft.State.dp_dt": [[152, "feos-dft-state-dp-dt"]], "feos.dft.State.dp_dv": [[153, "feos-dft-state-dp-dv"]], "feos.dft.State.ds_dt": [[154, "feos-dft-state-ds-dt"]], "feos.dft.State.enthalpy": [[155, "feos-dft-state-enthalpy"]], "feos.dft.State.entropy": [[156, "feos-dft-state-entropy"]], "feos.dft.State.gibbs_energy": [[157, "feos-dft-state-gibbs-energy"]], "feos.dft.State.grueneisen_parameter": [[158, "feos-dft-state-grueneisen-parameter"]], "feos.dft.State.helmholtz_energy": [[159, "feos-dft-state-helmholtz-energy"]], "feos.dft.State.henrys_law_constant": [[160, "feos-dft-state-henrys-law-constant"]], "feos.dft.State.henrys_law_constant_binary": [[161, "feos-dft-state-henrys-law-constant-binary"]], "feos.dft.State.internal_energy": [[162, "feos-dft-state-internal-energy"]], "feos.dft.State.is_stable": [[163, "feos-dft-state-is-stable"]], "feos.dft.State.isenthalpic_compressibility": [[164, "feos-dft-state-isenthalpic-compressibility"]], 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"feos.eos.PhaseEquilibrium.vapor_pressure", "feos.eos.PhaseEquilibrium.vle_pure_comps", "feos.eos.State", "feos.eos.State.__init__", "feos.eos.State.chemical_potential", "feos.eos.State.chemical_potential_contributions", "feos.eos.State.compressibility", "feos.eos.State.critical_point", "feos.eos.State.critical_point_binary", "feos.eos.State.critical_point_pure", "feos.eos.State.d2p_drho2", "feos.eos.State.d2p_dv2", "feos.eos.State.dc_v_dt", "feos.eos.State.diffusion", "feos.eos.State.diffusion_reference", "feos.eos.State.dln_phi_dnj", "feos.eos.State.dln_phi_dp", "feos.eos.State.dln_phi_dt", "feos.eos.State.dmu_dni", "feos.eos.State.dmu_dt", "feos.eos.State.dp_dni", "feos.eos.State.dp_drho", "feos.eos.State.dp_dt", "feos.eos.State.dp_dv", "feos.eos.State.ds_dt", "feos.eos.State.enthalpy", "feos.eos.State.entropy", "feos.eos.State.gibbs_energy", "feos.eos.State.grueneisen_parameter", "feos.eos.State.helmholtz_energy", "feos.eos.State.henrys_law_constant", "feos.eos.State.henrys_law_constant_binary", "feos.eos.State.internal_energy", "feos.eos.State.is_stable", "feos.eos.State.isenthalpic_compressibility", "feos.eos.State.isentropic_compressibility", "feos.eos.State.isothermal_compressibility", "feos.eos.State.joule_thomson", "feos.eos.State.ln_diffusion_reduced", "feos.eos.State.ln_phi", "feos.eos.State.ln_phi_pure_liquid", "feos.eos.State.ln_symmetric_activity_coefficient", "feos.eos.State.ln_thermal_conductivity_reduced", "feos.eos.State.ln_viscosity_reduced", "feos.eos.State.mass", "feos.eos.State.mass_density", "feos.eos.State.massfracs", "feos.eos.State.molar_enthalpy", "feos.eos.State.molar_entropy", "feos.eos.State.molar_gibbs_energy", "feos.eos.State.molar_helmholtz_energy", "feos.eos.State.molar_internal_energy", "feos.eos.State.molar_isobaric_heat_capacity", "feos.eos.State.molar_isochoric_heat_capacity", "feos.eos.State.partial_molar_enthalpy", "feos.eos.State.partial_molar_entropy", "feos.eos.State.partial_molar_volume", "feos.eos.State.pressure", "feos.eos.State.pressure_contributions", "feos.eos.State.residual_helmholtz_energy_contributions", "feos.eos.State.specific_enthalpy", "feos.eos.State.specific_entropy", "feos.eos.State.specific_gibbs_energy", "feos.eos.State.specific_helmholtz_energy", "feos.eos.State.specific_internal_energy", "feos.eos.State.specific_isobaric_heat_capacity", "feos.eos.State.specific_isochoric_heat_capacity", "feos.eos.State.speed_of_sound", "feos.eos.State.spinodal", "feos.eos.State.stability_analysis", "feos.eos.State.structure_factor", "feos.eos.State.thermal_conductivity", "feos.eos.State.thermal_conductivity_reference", "feos.eos.State.thermal_expansivity", "feos.eos.State.thermodynamic_factor", "feos.eos.State.total_mass", "feos.eos.State.total_molar_weight", "feos.eos.State.tp_flash", "feos.eos.State.viscosity", "feos.eos.State.viscosity_reference", "feos.eos.StateVec", "feos.eos.StateVec.__init__", "feos.eos.StateVec.molar_enthalpy", "feos.eos.StateVec.molar_entropy", "feos.eos.StateVec.specific_enthalpy", "feos.eos.StateVec.specific_entropy", "feos.eos.StateVec.to_dict", "feos.eos.Verbosity", "feos.eos.Verbosity.__init__", "feos.eos.estimator.DataSet", "feos.eos.estimator.DataSet.__init__", "feos.eos.estimator.DataSet.binary_phase_diagram", "feos.eos.estimator.DataSet.binary_vle_chemical_potential", "feos.eos.estimator.DataSet.binary_vle_pressure", "feos.eos.estimator.DataSet.cost", "feos.eos.estimator.DataSet.diffusion", "feos.eos.estimator.DataSet.equilibrium_liquid_density", "feos.eos.estimator.DataSet.liquid_density", "feos.eos.estimator.DataSet.mean_absolute_relative_difference", "feos.eos.estimator.DataSet.predict", "feos.eos.estimator.DataSet.relative_difference", "feos.eos.estimator.DataSet.thermal_conductivity", "feos.eos.estimator.DataSet.vapor_pressure", "feos.eos.estimator.DataSet.viscosity", "feos.eos.estimator.Estimator", "feos.eos.estimator.Estimator.__init__", "feos.eos.estimator.Estimator.cost", 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"feos.pcsaft.PcSaftBinaryRecord", "feos.pcsaft.PcSaftBinaryRecord.__init__", "feos.pcsaft.PcSaftBinaryRecord.from_json_str", "feos.pcsaft.PcSaftBinaryRecord.to_json_str", "feos.pcsaft.PcSaftParameters", "feos.pcsaft.PcSaftParameters.__init__", "feos.pcsaft.PcSaftParameters.from_json", "feos.pcsaft.PcSaftParameters.from_json_segments", "feos.pcsaft.PcSaftParameters.from_json_smiles", "feos.pcsaft.PcSaftParameters.from_model_records", "feos.pcsaft.PcSaftParameters.from_multiple_json", "feos.pcsaft.PcSaftParameters.from_records", "feos.pcsaft.PcSaftParameters.from_segments", "feos.pcsaft.PcSaftParameters.from_smiles", "feos.pcsaft.PcSaftParameters.new_binary", "feos.pcsaft.PcSaftParameters.new_pure", "feos.pcsaft.PcSaftRecord", "feos.pcsaft.PcSaftRecord.__init__", "feos.pcsaft.PcSaftRecord.from_json_str", "feos.pcsaft.PcSaftRecord.to_json_str", "feos.pcsaft.PureRecord", "feos.pcsaft.PureRecord.__init__", "feos.pcsaft.PureRecord.from_json_str", "feos.pcsaft.PureRecord.to_json_str", "feos.pcsaft.SegmentRecord", "feos.pcsaft.SegmentRecord.__init__", "feos.pcsaft.SegmentRecord.from_json", "feos.pcsaft.SegmentRecord.from_json_str", "feos.pcsaft.SegmentRecord.to_json_str", "feos.pcsaft.SmartsRecord", "feos.pcsaft.SmartsRecord.__init__", "feos.pcsaft.SmartsRecord.from_json", "feos.pcsaft.SmartsRecord.from_json_str", "feos.pcsaft.SmartsRecord.to_json_str", "feos.pets.BinaryRecord", "feos.pets.BinaryRecord.__init__", "feos.pets.BinaryRecord.from_json", "feos.pets.BinaryRecord.from_json_str", "feos.pets.BinaryRecord.to_json_str", "feos.pets.ChemicalRecord", "feos.pets.ChemicalRecord.__init__", "feos.pets.ChemicalRecord.from_json_str", "feos.pets.ChemicalRecord.from_smiles", "feos.pets.ChemicalRecord.to_json_str", "feos.pets.Identifier", "feos.pets.Identifier.__init__", "feos.pets.Identifier.from_json_str", "feos.pets.Identifier.to_json_str", "feos.pets.IdentifierOption", "feos.pets.IdentifierOption.__init__", "feos.pets.PetsParameters", "feos.pets.PetsParameters.__init__", "feos.pets.PetsParameters.from_json", "feos.pets.PetsParameters.from_lists", "feos.pets.PetsParameters.from_model_records", "feos.pets.PetsParameters.from_multiple_json", "feos.pets.PetsParameters.from_records", "feos.pets.PetsParameters.from_values", "feos.pets.PetsParameters.new_binary", "feos.pets.PetsParameters.new_pure", "feos.pets.PetsRecord", "feos.pets.PetsRecord.__init__", "feos.pets.PetsRecord.from_json_str", "feos.pets.PetsRecord.to_json_str", "feos.pets.PureRecord", "feos.pets.PureRecord.__init__", "feos.pets.PureRecord.from_json_str", "feos.pets.PureRecord.to_json_str", "feos.saftvrmie.BinaryRecord", "feos.saftvrmie.BinaryRecord.__init__", "feos.saftvrmie.BinaryRecord.from_json", "feos.saftvrmie.BinaryRecord.from_json_str", "feos.saftvrmie.BinaryRecord.to_json_str", "feos.saftvrmie.Identifier", "feos.saftvrmie.Identifier.__init__", "feos.saftvrmie.Identifier.from_json_str", "feos.saftvrmie.Identifier.to_json_str", 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"feos.saftvrqmie.BinaryRecord", "feos.saftvrqmie.BinaryRecord.__init__", "feos.saftvrqmie.BinaryRecord.from_json", "feos.saftvrqmie.BinaryRecord.from_json_str", "feos.saftvrqmie.BinaryRecord.to_json_str", "feos.saftvrqmie.FeynmanHibbsOrder", "feos.saftvrqmie.FeynmanHibbsOrder.__init__", "feos.saftvrqmie.Identifier", "feos.saftvrqmie.Identifier.__init__", "feos.saftvrqmie.Identifier.from_json_str", "feos.saftvrqmie.Identifier.to_json_str", "feos.saftvrqmie.IdentifierOption", "feos.saftvrqmie.IdentifierOption.__init__", "feos.saftvrqmie.PureRecord", "feos.saftvrqmie.PureRecord.__init__", "feos.saftvrqmie.PureRecord.from_json_str", "feos.saftvrqmie.PureRecord.to_json_str", "feos.saftvrqmie.SaftVRQMieParameters", "feos.saftvrqmie.SaftVRQMieParameters.__init__", "feos.saftvrqmie.SaftVRQMieParameters.diameter", "feos.saftvrqmie.SaftVRQMieParameters.epsilon_k_eff", "feos.saftvrqmie.SaftVRQMieParameters.from_json", "feos.saftvrqmie.SaftVRQMieParameters.from_model_records", "feos.saftvrqmie.SaftVRQMieParameters.from_multiple_json", "feos.saftvrqmie.SaftVRQMieParameters.from_records", "feos.saftvrqmie.SaftVRQMieParameters.lammps_tables", "feos.saftvrqmie.SaftVRQMieParameters.new_binary", "feos.saftvrqmie.SaftVRQMieParameters.new_pure", "feos.saftvrqmie.SaftVRQMieParameters.quantum_d", "feos.saftvrqmie.SaftVRQMieParameters.sigma_eff", "feos.saftvrqmie.SaftVRQMieRecord", "feos.saftvrqmie.SaftVRQMieRecord.__init__", "feos.saftvrqmie.SaftVRQMieRecord.from_json_str", "feos.saftvrqmie.SaftVRQMieRecord.to_json_str", "feos.si.SIArray1", "feos.si.SIArray1.__init__", "feos.si.SIArray1.as_list", "feos.si.SIArray1.cbrt", "feos.si.SIArray1.has_unit", "feos.si.SIArray1.linspace", "feos.si.SIArray1.logspace", "feos.si.SIArray1.sqrt", "feos.si.SIArray2", "feos.si.SIArray2.__init__", "feos.si.SIArray2.as_list", "feos.si.SIArray2.cbrt", "feos.si.SIArray2.has_unit", "feos.si.SIArray2.sqrt", "feos.si.SIArray3", "feos.si.SIArray3.__init__", "feos.si.SIArray3.as_list", "feos.si.SIArray3.cbrt", "feos.si.SIArray3.has_unit", "feos.si.SIArray3.sqrt", "feos.si.SIArray4", "feos.si.SIArray4.__init__", "feos.si.SIArray4.as_list", "feos.si.SIArray4.cbrt", "feos.si.SIArray4.has_unit", "feos.si.SIArray4.sqrt", "feos.si.SINumber", "feos.si.SINumber.__init__", "feos.si.SINumber.cbrt", "feos.si.SINumber.has_unit", "feos.si.SINumber.sqrt", "feos.uvtheory.BinaryRecord", "feos.uvtheory.BinaryRecord.__init__", "feos.uvtheory.BinaryRecord.from_json", "feos.uvtheory.BinaryRecord.from_json_str", "feos.uvtheory.BinaryRecord.to_json_str", "feos.uvtheory.ChemicalRecord", "feos.uvtheory.ChemicalRecord.__init__", "feos.uvtheory.ChemicalRecord.from_json_str", "feos.uvtheory.ChemicalRecord.from_smiles", "feos.uvtheory.ChemicalRecord.to_json_str", "feos.uvtheory.Identifier", "feos.uvtheory.Identifier.__init__", "feos.uvtheory.Identifier.from_json_str", "feos.uvtheory.Identifier.to_json_str", "feos.uvtheory.IdentifierOption", "feos.uvtheory.IdentifierOption.__init__", "feos.uvtheory.Perturbation", "feos.uvtheory.Perturbation.__init__", "feos.uvtheory.PureRecord", "feos.uvtheory.PureRecord.__init__", "feos.uvtheory.PureRecord.from_json_str", "feos.uvtheory.PureRecord.to_json_str", "feos.uvtheory.UVTheoryParameters", "feos.uvtheory.UVTheoryParameters.__init__", "feos.uvtheory.UVTheoryParameters.from_json", "feos.uvtheory.UVTheoryParameters.from_lists", "feos.uvtheory.UVTheoryParameters.from_model_records", "feos.uvtheory.UVTheoryParameters.from_multiple_json", "feos.uvtheory.UVTheoryParameters.from_records", "feos.uvtheory.UVTheoryParameters.new_binary", "feos.uvtheory.UVTheoryParameters.new_pure", "feos.uvtheory.UVTheoryParameters.new_simple", "feos.uvtheory.UVTheoryRecord", "feos.uvtheory.UVTheoryRecord.__init__", "feos.uvtheory.UVTheoryRecord.from_json_str", "feos.uvtheory.UVTheoryRecord.to_json_str", "API", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.joback</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.pcsaft</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.cubic</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.pets</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.saftvrmie</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.saftvrqmie</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.si</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.uvtheory</span></code>", "Help &amp; Feedback", "Welcome to <span class=\"math notranslate nohighlight\">\\(\\text{FeO}_\\text{s}\\)</span>", "Installation", "Recipes", "Critical point of a pure substance", "Vapor pressure and boiling temperature of a pure substance", "Phase diagram of a pure substance", "Phase equilibrium of a pure substance", "Surface tension diagram of a pure substance", "Surface tension of a pure substance", "API", "The <code class=\"docutils literal notranslate\"><span class=\"pre\">EquationOfState</span></code> Trait", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos-core</span></code>", "Thermodynamic States", "Guide", "Derivatives of density profiles", "Enthalpy of adsorption and the Clausius-Clapeyron relation", "Euler-Lagrange equation", "Functional derivatives", "Classical density functional theory", "Predictive density gradient theory", "DFT solvers", "Equations of state", "Properties", "Association", "Hard spheres", "Models", "Density functional theory", "PC-SAFT", "Surface tension using PC-SAFT Helmholtz energy functionals", "Equations of state", "PC-SAFT", "Entropy scaling of pure substances", "Pure substance phase diagrams", "Representation of thermodynamic states", "Working with parameters", "Implementing an equation of state in python", "Python", "Tutorials", "On Dual Numbers in <code class=\"docutils literal notranslate\"><span class=\"pre\">FeOs</span></code>", "Working with SI-units", "Utility"], "titleterms": {"": [764, 786, 798], "450": 795, "On": 802, "The": [2, 774, 776, 796, 797, 803], "With": 798, "_": [764, 786], "__init__": [6, 11, 16, 20, 28, 32, 36, 42, 48, 50, 63, 65, 67, 69, 77, 84, 95, 106, 119, 122, 125, 128, 135, 204, 211, 213, 215, 223, 230, 234, 236, 240, 242, 262, 273, 284, 362, 369, 371, 386, 392, 399, 401, 406, 411, 416, 420, 428, 432, 434, 438, 440, 444, 448, 453, 458, 463, 468, 475, 481, 485, 489, 491, 496, 501, 505, 507, 519, 523, 527, 532, 537, 542, 547, 549, 553, 555, 559, 571, 575, 579, 584, 589, 594, 599, 603, 605, 615, 619, 623, 628, 632, 634, 638, 642, 650, 654, 659, 661, 665, 667, 671, 684, 688, 696, 702, 708, 714, 719, 724, 729, 733, 735, 737, 741, 751], "access": 798, "add": 776, "addit": 774, "adsorpt": [0, 779], "adsorption1d": [35, 36, 37, 38, 39, 40], "adsorption3d": [41, 42, 43, 44, 45, 46], "adsorption_isotherm": [37, 43], "again": 776, "algorithm": 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\ No newline at end of file
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fraction of non-bonded association sites": [[787, "calculation-of-the-fraction-of-non-bonded-association-sites"]], "Classical density functional theory": [[782, "classical-density-functional-theory"]], "Clausius-Clapeyron relation for porous media": [[779, "clausius-clapeyron-relation-for-porous-media"]], "Combined expression": [[780, "combined-expression"]], "Compare methods to NIST data (T = 450 K)": [[795, "Compare-methods-to-NIST-data-(T-=-450-K)"]], "Compare parameters": [[795, "Compare-parameters"]], "Comparison to NIST data using SurfaceTensionDiagram": [[792, "Comparison-to-NIST-data-using-SurfaceTensionDiagram"]], "Comparison to Rust implementation": [[799, "Comparison-to-Rust-implementation"]], "Computing Thermodynamic Properties": [[776, "computing-thermodynamic-properties"]], "Computing properties": [[797, "Computing-properties"], [799, "Computing-properties"]], "Concluding remkars": [[792, "Concluding-remkars"], [797, "Concluding-remkars"], [798, "Concluding-remkars"], [803, "Concluding-remkars"]], "Constructors": [[797, "Constructors"]], "Contributions to the Helmholtz energy": [[797, "Contributions-to-the-Helmholtz-energy"]], "Critical point": [[799, "Critical-point"]], "Critical point of a pure substance": [[767, "Critical-point-of-a-pure-substance"]], "Critical points and phase equilibria": [[766, "critical-points-and-phase-equilibria"]], "DFT": [[766, "dft"]], "DFT solvers": [[784, "dft-solvers"]], "Data types": [[1, "data-types"], [3, "data-types"], [4, "data-types"], [755, "data-types"], [756, "data-types"], [757, "data-types"], [758, "data-types"], [759, "data-types"], [760, "data-types"], [761, "data-types"], [762, "data-types"]], "Density functional theory": [[790, "density-functional-theory"]], "Derivatives of density profiles": [[778, "derivatives-of-density-profiles"]], "Derived units, constants and prefixes": [[803, "Derived-units,-constants-and-prefixes"]], "Do we need to create dual numbers by hand?": [[802, "Do-we-need-to-create-dual-numbers-by-hand?"]], "Dual Numbers": [[802, "Dual-Numbers"]], "Dynamic properties (entropy scaling)": [[797, "Dynamic-properties-(entropy-scaling)"]], "Dynamic properties via entropy scaling": [[797, "Dynamic-properties-via-entropy-scaling"]], "Enthalpy of adsorption": [[779, "enthalpy-of-adsorption"]], "Enthalpy of adsorption and the Clausius-Clapeyron relation": [[779, "enthalpy-of-adsorption-and-the-clausius-clapeyron-relation"]], "Entropy scaling of pure substances": [[795, "Entropy-scaling-of-pure-substances"]], "Entropy, again!": [[776, "entropy-again"]], "EquationOfState": [[2, "equationofstate"]], "Equations of state": [[785, "equations-of-state"], [793, "equations-of-state"]], "Euler-Lagrange equation": [[780, "euler-lagrange-equation"]], "Example": [[3, "example"], [4, "example"], [756, "example"], [758, "example"], [759, "example"], [760, "example"], [762, "example"]], "Example usage": [[761, "example-usage"]], "Example: Combine a DIPPR ideal gas model with PC-SAFT": [[1, "example-combine-a-dippr-ideal-gas-model-with-pc-saft"]], "Example: Combine the ideal gas model of Joback & Reid with PC-SAFT": [[755, "example-combine-the-ideal-gas-model-of-joback-reid-with-pc-saft"]], "Features": [[764, "features"]], "Fields": [[797, "Fields"]], "From Python": [[798, "From-Python"]], "From a single file": [[798, "From-a-single-file"]], "From json files": [[798, "From-json-files"]], "From multiple files": [[798, "From-multiple-files"]], "Functional derivatives": [[781, "functional-derivatives"]], "Fundamental measure theory": [[788, "fundamental-measure-theory"]], "Further reading": [[798, "Further-reading"]], "Generalized (Hyper-) Dual Numbers": [[776, "generalized-hyper-dual-numbers"]], "Get PureRecords via parameters.pure_records": [[798, "Get-PureRecords-via-parameters.pure_records"]], "Getting started": [[764, "getting-started"]], "Goal": [[795, "Goal"], [798, "Goal"], [803, "Goal"]], "Goal of this notebook": [[792, "Goal-of-this-notebook"], [796, "Goal-of-this-notebook"], [797, "Goal-of-this-notebook"]], "Guide": [[777, "guide"]], "Hard spheres": [[788, "hard-spheres"]], "Helmholtz Energy Contributions": [[776, "helmholtz-energy-contributions"]], "Helmholtz energy functional": [[787, "helmholtz-energy-functional"]], "HelmholtzEnergyFunctional": [[0, "helmholtzenergyfunctional"]], "Help & Feedback": [[763, "help-feedback"]], "Heterosegmented chains": [[780, "heterosegmented-chains"]], "Homosegmented chains": [[780, "homosegmented-chains"]], "How to Add a New Property": [[776, "how-to-add-a-new-property"]], "Implementation": [[799, "Implementation"]], "Implementing an equation of state in python": [[799, "Implementing-an-equation-of-state-in-python"]], "Import": [[2, "import"]], "Import needed packages": [[795, "Import-needed-packages"]], "Important crates": [[775, "important-crates"]], "Installation": [[765, "installation"]], "Interfaces": [[0, "interfaces"]], "Introduction": [[777, "introduction"]], "List of State methods and fields": [[797, "List-of-State-methods-and-fields"]], "List of properties available in \\text{FeO}_\\text{s}": [[786, "list-of-properties-available-in-text-feo-text-s"]], "Mass related and mass specific properties": [[797, "Mass-related-and-mass-specific-properties"]], "Mathematical operations and interaction with numpy": [[803, "Mathematical-operations-and-interaction-with-numpy"]], "Mixtures": [[798, "Mixtures"], [799, "Mixtures"]], "Model specific modules": [[754, "model-specific-modules"]], "Models": [[789, "models"]], "Models defined in Python": [[2, "models-defined-in-python"]], "Modules": [[754, "modules"]], "Newton algorithm": [[784, "newton-algorithm"]], "On Dual Numbers in FeOs": [[802, "On-Dual-Numbers-in-FeOs"]], "Other data types": [[0, "other-data-types"], [2, "other-data-types"]], "PC-SAFT": [[791, "pc-saft"], [794, "pc-saft"]], "PC-SAFT (individual component parameters)": [[795, "PC-SAFT-(individual-component-parameters)"]], "PC-SAFT expression for the association strength": [[787, "pc-saft-expression-for-the-association-strength"]], "PC-SAFT homo-GC": [[795, "PC-SAFT-homo-GC"]], "Parameters and the equation of state": [[798, "Parameters-and-the-equation-of-state"]], "Parameters from homo-segmented group contribution (homo-GC)": [[798, "Parameters-from-homo-segmented-group-contribution-(homo-GC)"]], "Phase Diagram": [[799, "Phase-Diagram"]], "Phase diagram of a pure substance": [[769, "Phase-diagram-of-a-pure-substance"]], "Phase equilibria and phase diagrams": [[799, "Phase-equilibria-and-phase-diagrams"]], "Phase equilibrium of a pure substance": [[770, "Phase-equilibrium-of-a-pure-substance"]], "PhaseEquilibrium: State objects at phase equilibrium": [[797, "PhaseEquilibrium:-State-objects-at-phase-equilibrium"]], "Picard iteration": [[784, "picard-iteration"]], "Plots": [[766, "plots"]], "Predictive density gradient theory": [[783, "predictive-density-gradient-theory"]], "Prerequisites": [[777, "prerequisites"]], "Project Structure": [[777, "project-structure"]], "Properties": [[786, "properties"]], "Properties and dual numbers": [[802, "Properties-and-dual-numbers"]], "Pure substance": [[798, "Pure-substance"]], "Pure substance phase diagrams": [[796, "Pure-substance-phase-diagrams"]], "Python": [[800, "python"]], "Read parameters from json file(s)": [[798, "Read-parameters-from-json-file(s)"]], "Read parameters from json for a single substance and generate PcSaft object": [[796, "Read-parameters-from-json-for-a-single-substance-and-generate-PcSaft-object"]], "Recipes": [[766, "recipes"]], "Representation of thermodynamic states": [[797, "Representation-of-thermodynamic-states"]], "Residual Helmholtz Energy": [[774, "residual-helmholtz-energy"]], "Residual properties": [[786, "residual-properties"]], "SAFT-VR Mie expression for the association strength": [[787, "saft-vr-mie-expression-for-the-association-strength"]], "Setup": [[775, "setup"]], "Solvation": [[0, "solvation"]], "Spherical molecules": [[780, "spherical-molecules"]], "Stability analysis": [[797, "Stability-analysis"]], "State at critical conditions": [[797, "State-at-critical-conditions"]], "Stored information": [[796, "Stored-information"], [797, "Stored-information"]], "Summary": [[774, "summary"], [776, "summary"], [798, "Summary"], [802, "Summary"], [803, "Summary"]], "Surface tension diagram of a pure substance": [[771, "Surface-tension-diagram-of-a-pure-substance"]], "Surface tension for single VLE": [[792, "Surface-tension-for-single-VLE"]], "Surface tension of a pure substance": [[772, "Surface-tension-of-a-pure-substance"]], "Surface tension using PC-SAFT Helmholtz energy functionals": [[792, "Surface-tension-using-PC-SAFT-Helmholtz-energy-functionals"]], "Table of contents": [[799, "Table-of-contents"]], "The EntropyScaling Trait": [[774, "the-entropyscaling-trait"]], "The EquationOfState Trait": [[774, "the-equationofstate-trait"]], "The HelmholtzEnergyDual and HelmholtzEnergy Traits": [[774, "the-helmholtzenergydual-and-helmholtzenergy-traits"]], "The Ideal Gas Contribution": [[774, "the-ideal-gas-contribution"]], "The MolarWeight Trait": [[774, "the-molarweight-trait"]], "The PhaseDiagram object": [[796, "The-PhaseDiagram-object"]], "The PhaseEquilibrium object": [[796, "The-PhaseEquilibrium-object"]], "The State object": [[797, "The-State-object"]], "The StateHD Struct": [[776, "the-statehd-struct"]], "The default constructor": [[797, "The-default-constructor"]], "The estimator module": [[2, "the-estimator-module"]], "The feos.si module": [[803, "The-feos.si-module"]], "The natural variables of State": [[776, "the-natural-variables-of-state"]], "The states method returns all PhaseEquilibrium objects from PhaseDiagram": [[796, "The-states-method-returns-all-PhaseEquilibrium-objects-from-PhaseDiagram"]], "Thermodynamic States": [[776, "thermodynamic-states"]], "Thermodynamic properties": [[797, "Thermodynamic-properties"]], "Thermodynamic state: the State object": [[799, "Thermodynamic-state:-the-State-object"]], "Tutorials": [[801, "tutorials"]], "Usage": [[764, "usage"]], "Utility": [[804, "utility"]], "Vapor pressure and boiling temperature of a pure substance": [[768, "Vapor-pressure-and-boiling-temperature-of-a-pure-substance"]], "Want to learn more?": [[764, "want-to-learn-more"]], "Water parameters for PC-SAFT": [[792, "Water-parameters-for-PC-SAFT"]], "Welcome to \\text{FeO}_\\text{s}": [[764, "welcome-to-text-feo-text-s"]], "Where to Get Help": [[777, "where-to-get-help"]], "With binary interaction parameters": [[798, "With-binary-interaction-parameters"]], "Working with SI-units": [[803, "Working-with-SI-units"]], "Working with parameters": [[798, "Working-with-parameters"]], "feos-core": [[775, "feos-core"]], "feos.cubic": [[757, "feos-cubic"]], "feos.cubic.BinaryRecord": [[5, "feos-cubic-binaryrecord"]], "feos.cubic.BinaryRecord.__init__": [[6, "feos-cubic-binaryrecord-init"]], "feos.cubic.BinaryRecord.from_json": [[7, "feos-cubic-binaryrecord-from-json"]], "feos.cubic.BinaryRecord.from_json_str": [[8, "feos-cubic-binaryrecord-from-json-str"]], "feos.cubic.BinaryRecord.to_json_str": [[9, "feos-cubic-binaryrecord-to-json-str"]], "feos.cubic.ChemicalRecord": [[10, "feos-cubic-chemicalrecord"]], "feos.cubic.ChemicalRecord.__init__": [[11, "feos-cubic-chemicalrecord-init"]], "feos.cubic.ChemicalRecord.from_json_str": [[12, "feos-cubic-chemicalrecord-from-json-str"]], "feos.cubic.ChemicalRecord.from_smiles": [[13, "feos-cubic-chemicalrecord-from-smiles"]], "feos.cubic.ChemicalRecord.to_json_str": [[14, "feos-cubic-chemicalrecord-to-json-str"]], "feos.cubic.Identifier": [[15, "feos-cubic-identifier"]], "feos.cubic.Identifier.__init__": [[16, "feos-cubic-identifier-init"]], "feos.cubic.Identifier.from_json_str": [[17, "feos-cubic-identifier-from-json-str"]], "feos.cubic.Identifier.to_json_str": [[18, "feos-cubic-identifier-to-json-str"]], "feos.cubic.PengRobinsonParameters": [[19, "feos-cubic-pengrobinsonparameters"]], "feos.cubic.PengRobinsonParameters.__init__": [[20, "feos-cubic-pengrobinsonparameters-init"]], "feos.cubic.PengRobinsonParameters.from_json": [[21, "feos-cubic-pengrobinsonparameters-from-json"]], "feos.cubic.PengRobinsonParameters.from_model_records": [[22, "feos-cubic-pengrobinsonparameters-from-model-records"]], "feos.cubic.PengRobinsonParameters.from_multiple_json": [[23, "feos-cubic-pengrobinsonparameters-from-multiple-json"]], "feos.cubic.PengRobinsonParameters.from_records": [[24, "feos-cubic-pengrobinsonparameters-from-records"]], "feos.cubic.PengRobinsonParameters.new_binary": [[25, "feos-cubic-pengrobinsonparameters-new-binary"]], "feos.cubic.PengRobinsonParameters.new_pure": [[26, "feos-cubic-pengrobinsonparameters-new-pure"]], "feos.cubic.PengRobinsonRecord": [[27, "feos-cubic-pengrobinsonrecord"]], "feos.cubic.PengRobinsonRecord.__init__": [[28, "feos-cubic-pengrobinsonrecord-init"]], "feos.cubic.PengRobinsonRecord.from_json_str": [[29, "feos-cubic-pengrobinsonrecord-from-json-str"]], "feos.cubic.PengRobinsonRecord.to_json_str": [[30, "feos-cubic-pengrobinsonrecord-to-json-str"]], "feos.cubic.PureRecord": [[31, "feos-cubic-purerecord"]], "feos.cubic.PureRecord.__init__": [[32, "feos-cubic-purerecord-init"]], "feos.cubic.PureRecord.from_json_str": [[33, "feos-cubic-purerecord-from-json-str"]], "feos.cubic.PureRecord.to_json_str": [[34, "feos-cubic-purerecord-to-json-str"]], "feos.dft": [[0, "feos-dft"]], "feos.dft.Adsorption1D": [[35, "feos-dft-adsorption1d"]], "feos.dft.Adsorption1D.__init__": [[36, "feos-dft-adsorption1d-init"]], "feos.dft.Adsorption1D.adsorption_isotherm": [[37, "feos-dft-adsorption1d-adsorption-isotherm"]], "feos.dft.Adsorption1D.desorption_isotherm": [[38, "feos-dft-adsorption1d-desorption-isotherm"]], "feos.dft.Adsorption1D.equilibrium_isotherm": [[39, "feos-dft-adsorption1d-equilibrium-isotherm"]], "feos.dft.Adsorption1D.phase_equilibrium": [[40, "feos-dft-adsorption1d-phase-equilibrium"]], "feos.dft.Adsorption3D": [[41, "feos-dft-adsorption3d"]], "feos.dft.Adsorption3D.__init__": [[42, "feos-dft-adsorption3d-init"]], "feos.dft.Adsorption3D.adsorption_isotherm": [[43, "feos-dft-adsorption3d-adsorption-isotherm"]], "feos.dft.Adsorption3D.desorption_isotherm": [[44, "feos-dft-adsorption3d-desorption-isotherm"]], "feos.dft.Adsorption3D.equilibrium_isotherm": [[45, "feos-dft-adsorption3d-equilibrium-isotherm"]], "feos.dft.Adsorption3D.phase_equilibrium": [[46, "feos-dft-adsorption3d-phase-equilibrium"]], "feos.dft.Contributions": [[47, "feos-dft-contributions"]], "feos.dft.Contributions.__init__": [[48, "feos-dft-contributions-init"]], "feos.dft.DFTSolver": [[49, "feos-dft-dftsolver"]], "feos.dft.DFTSolver.__init__": [[50, "feos-dft-dftsolver-init"]], "feos.dft.DFTSolver.anderson_mixing": [[51, "feos-dft-dftsolver-anderson-mixing"]], "feos.dft.DFTSolver.newton": [[52, "feos-dft-dftsolver-newton"]], "feos.dft.DFTSolver.picard_iteration": [[53, "feos-dft-dftsolver-picard-iteration"]], "feos.dft.ExternalPotential": [[54, "feos-dft-externalpotential"]], "feos.dft.ExternalPotential.CustomLJ93": [[55, "feos-dft-externalpotential-customlj93"]], "feos.dft.ExternalPotential.CustomSteele": [[56, "feos-dft-externalpotential-customsteele"]], "feos.dft.ExternalPotential.DoubleWell": [[57, "feos-dft-externalpotential-doublewell"]], "feos.dft.ExternalPotential.FreeEnergyAveraged": [[58, "feos-dft-externalpotential-freeenergyaveraged"]], "feos.dft.ExternalPotential.HardWall": [[59, "feos-dft-externalpotential-hardwall"]], "feos.dft.ExternalPotential.LJ93": [[60, "feos-dft-externalpotential-lj93"]], "feos.dft.ExternalPotential.SimpleLJ93": [[61, "feos-dft-externalpotential-simplelj93"]], "feos.dft.ExternalPotential.Steele": [[62, "feos-dft-externalpotential-steele"]], "feos.dft.ExternalPotential.__init__": [[63, "feos-dft-externalpotential-init"]], "feos.dft.FMTVersion": [[64, "feos-dft-fmtversion"]], "feos.dft.FMTVersion.__init__": [[65, "feos-dft-fmtversion-init"]], "feos.dft.Geometry": [[66, "feos-dft-geometry"]], "feos.dft.Geometry.__init__": [[67, "feos-dft-geometry-init"]], "feos.dft.HelmholtzEnergyFunctional": [[68, "feos-dft-helmholtzenergyfunctional"]], "feos.dft.HelmholtzEnergyFunctional.__init__": [[69, "feos-dft-helmholtzenergyfunctional-init"]], "feos.dft.HelmholtzEnergyFunctional.fmt": [[70, "feos-dft-helmholtzenergyfunctional-fmt"]], "feos.dft.HelmholtzEnergyFunctional.gc_pcsaft": [[71, "feos-dft-helmholtzenergyfunctional-gc-pcsaft"]], "feos.dft.HelmholtzEnergyFunctional.max_density": [[72, "feos-dft-helmholtzenergyfunctional-max-density"]], "feos.dft.HelmholtzEnergyFunctional.pcsaft": [[73, "feos-dft-helmholtzenergyfunctional-pcsaft"]], "feos.dft.HelmholtzEnergyFunctional.pets": [[74, "feos-dft-helmholtzenergyfunctional-pets"]], "feos.dft.HelmholtzEnergyFunctional.saftvrqmie": [[75, "feos-dft-helmholtzenergyfunctional-saftvrqmie"]], "feos.dft.PairCorrelation": [[76, "feos-dft-paircorrelation"]], "feos.dft.PairCorrelation.__init__": [[77, "feos-dft-paircorrelation-init"]], "feos.dft.PairCorrelation.entropy": [[78, "feos-dft-paircorrelation-entropy"]], "feos.dft.PairCorrelation.entropy_density": [[79, "feos-dft-paircorrelation-entropy-density"]], "feos.dft.PairCorrelation.internal_energy": [[80, "feos-dft-paircorrelation-internal-energy"]], "feos.dft.PairCorrelation.residual": [[81, "feos-dft-paircorrelation-residual"]], "feos.dft.PairCorrelation.solve": [[82, "feos-dft-paircorrelation-solve"]], "feos.dft.PhaseDiagram": [[83, "feos-dft-phasediagram"]], "feos.dft.PhaseDiagram.__init__": [[84, "feos-dft-phasediagram-init"]], "feos.dft.PhaseDiagram.binary_vle": [[85, "feos-dft-phasediagram-binary-vle"]], "feos.dft.PhaseDiagram.binary_vlle": [[86, "feos-dft-phasediagram-binary-vlle"]], "feos.dft.PhaseDiagram.bubble_point_line": [[87, "feos-dft-phasediagram-bubble-point-line"]], "feos.dft.PhaseDiagram.dew_point_line": [[88, "feos-dft-phasediagram-dew-point-line"]], "feos.dft.PhaseDiagram.lle": [[89, "feos-dft-phasediagram-lle"]], "feos.dft.PhaseDiagram.par_pure": [[90, "feos-dft-phasediagram-par-pure"]], "feos.dft.PhaseDiagram.pure": [[91, "feos-dft-phasediagram-pure"]], "feos.dft.PhaseDiagram.spinodal": [[92, "feos-dft-phasediagram-spinodal"]], "feos.dft.PhaseDiagram.to_dict": [[93, "feos-dft-phasediagram-to-dict"]], "feos.dft.PhaseEquilibrium": [[94, "feos-dft-phaseequilibrium"]], "feos.dft.PhaseEquilibrium.__init__": [[95, "feos-dft-phaseequilibrium-init"]], "feos.dft.PhaseEquilibrium.boiling_temperature": [[96, "feos-dft-phaseequilibrium-boiling-temperature"]], "feos.dft.PhaseEquilibrium.bubble_point": [[97, "feos-dft-phaseequilibrium-bubble-point"]], "feos.dft.PhaseEquilibrium.dew_point": [[98, "feos-dft-phaseequilibrium-dew-point"]], "feos.dft.PhaseEquilibrium.heteroazeotrope": [[99, "feos-dft-phaseequilibrium-heteroazeotrope"]], "feos.dft.PhaseEquilibrium.new_npt": [[100, "feos-dft-phaseequilibrium-new-npt"]], "feos.dft.PhaseEquilibrium.pure": [[101, "feos-dft-phaseequilibrium-pure"]], "feos.dft.PhaseEquilibrium.tp_flash": [[102, "feos-dft-phaseequilibrium-tp-flash"]], "feos.dft.PhaseEquilibrium.vapor_pressure": [[103, "feos-dft-phaseequilibrium-vapor-pressure"]], "feos.dft.PhaseEquilibrium.vle_pure_comps": [[104, "feos-dft-phaseequilibrium-vle-pure-comps"]], "feos.dft.PlanarInterface": [[105, "feos-dft-planarinterface"]], "feos.dft.PlanarInterface.__init__": [[106, "feos-dft-planarinterface-init"]], "feos.dft.PlanarInterface.entropy": [[107, "feos-dft-planarinterface-entropy"]], "feos.dft.PlanarInterface.entropy_density": [[108, "feos-dft-planarinterface-entropy-density"]], "feos.dft.PlanarInterface.from_density_profile": [[109, "feos-dft-planarinterface-from-density-profile"]], "feos.dft.PlanarInterface.from_pdgt": [[110, "feos-dft-planarinterface-from-pdgt"]], "feos.dft.PlanarInterface.from_tanh": [[111, "feos-dft-planarinterface-from-tanh"]], 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"feos.eos.PhaseEquilibrium.vapor_pressure", "feos.eos.PhaseEquilibrium.vle_pure_comps", "feos.eos.State", "feos.eos.State.__init__", "feos.eos.State.chemical_potential", "feos.eos.State.chemical_potential_contributions", "feos.eos.State.compressibility", "feos.eos.State.critical_point", "feos.eos.State.critical_point_binary", "feos.eos.State.critical_point_pure", "feos.eos.State.d2p_drho2", "feos.eos.State.d2p_dv2", "feos.eos.State.dc_v_dt", "feos.eos.State.diffusion", "feos.eos.State.diffusion_reference", "feos.eos.State.dln_phi_dnj", "feos.eos.State.dln_phi_dp", "feos.eos.State.dln_phi_dt", "feos.eos.State.dmu_dni", "feos.eos.State.dmu_dt", "feos.eos.State.dp_dni", "feos.eos.State.dp_drho", "feos.eos.State.dp_dt", "feos.eos.State.dp_dv", "feos.eos.State.ds_dt", "feos.eos.State.enthalpy", "feos.eos.State.entropy", "feos.eos.State.gibbs_energy", "feos.eos.State.grueneisen_parameter", "feos.eos.State.helmholtz_energy", "feos.eos.State.henrys_law_constant", 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"feos.eos.estimator.Estimator.mean_absolute_relative_difference", "feos.eos.estimator.Estimator.predict", "feos.eos.estimator.Estimator.relative_difference", "feos.eos.estimator.Loss", "feos.eos.estimator.Loss.__init__", "feos.eos.estimator.Loss.arctan", "feos.eos.estimator.Loss.cauchy", "feos.eos.estimator.Loss.huber", "feos.eos.estimator.Loss.linear", "feos.eos.estimator.Loss.softl1", "feos.eos.estimator.Phase", "feos.eos.estimator.Phase.__init__", "feos.epcsaft.BinaryRecord", "feos.epcsaft.BinaryRecord.__init__", "feos.epcsaft.BinaryRecord.from_json", "feos.epcsaft.BinaryRecord.from_json_str", "feos.epcsaft.BinaryRecord.to_json_str", "feos.epcsaft.BinarySegmentRecord", "feos.epcsaft.BinarySegmentRecord.__init__", "feos.epcsaft.BinarySegmentRecord.from_json", "feos.epcsaft.BinarySegmentRecord.from_json_str", "feos.epcsaft.BinarySegmentRecord.to_json_str", "feos.epcsaft.ChemicalRecord", "feos.epcsaft.ChemicalRecord.__init__", "feos.epcsaft.ChemicalRecord.from_json_str", 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"feos.gc_pcsaft.BinarySegmentRecord", "feos.gc_pcsaft.BinarySegmentRecord.__init__", "feos.gc_pcsaft.BinarySegmentRecord.from_json", "feos.gc_pcsaft.BinarySegmentRecord.from_json_str", "feos.gc_pcsaft.BinarySegmentRecord.to_json_str", "feos.gc_pcsaft.ChemicalRecord", "feos.gc_pcsaft.ChemicalRecord.__init__", "feos.gc_pcsaft.ChemicalRecord.from_json_str", "feos.gc_pcsaft.ChemicalRecord.from_smiles", "feos.gc_pcsaft.ChemicalRecord.to_json_str", "feos.gc_pcsaft.GcPcSaftEosParameters", "feos.gc_pcsaft.GcPcSaftEosParameters.__init__", "feos.gc_pcsaft.GcPcSaftEosParameters.from_json_segments", "feos.gc_pcsaft.GcPcSaftEosParameters.from_json_smiles", "feos.gc_pcsaft.GcPcSaftEosParameters.from_segments", "feos.gc_pcsaft.GcPcSaftEosParameters.from_smiles", "feos.gc_pcsaft.GcPcSaftEosParameters.phi", "feos.gc_pcsaft.GcPcSaftFunctionalParameters", "feos.gc_pcsaft.GcPcSaftFunctionalParameters.__init__", "feos.gc_pcsaft.GcPcSaftFunctionalParameters.from_json_segments", "feos.gc_pcsaft.GcPcSaftFunctionalParameters.from_json_smiles", "feos.gc_pcsaft.GcPcSaftFunctionalParameters.from_segments", "feos.gc_pcsaft.GcPcSaftFunctionalParameters.from_smiles", "feos.gc_pcsaft.GcPcSaftRecord", "feos.gc_pcsaft.GcPcSaftRecord.__init__", "feos.gc_pcsaft.GcPcSaftRecord.from_json_str", "feos.gc_pcsaft.GcPcSaftRecord.to_json_str", "feos.gc_pcsaft.Identifier", "feos.gc_pcsaft.Identifier.__init__", "feos.gc_pcsaft.Identifier.from_json_str", "feos.gc_pcsaft.Identifier.to_json_str", "feos.gc_pcsaft.IdentifierOption", "feos.gc_pcsaft.IdentifierOption.__init__", "feos.gc_pcsaft.SegmentRecord", "feos.gc_pcsaft.SegmentRecord.__init__", "feos.gc_pcsaft.SegmentRecord.from_json", "feos.gc_pcsaft.SegmentRecord.from_json_str", "feos.gc_pcsaft.SegmentRecord.to_json_str", "feos.gc_pcsaft.SmartsRecord", "feos.gc_pcsaft.SmartsRecord.__init__", "feos.gc_pcsaft.SmartsRecord.from_json", "feos.gc_pcsaft.SmartsRecord.from_json_str", "feos.gc_pcsaft.SmartsRecord.to_json_str", "feos.joback.Identifier", "feos.joback.Identifier.__init__", "feos.joback.Identifier.from_json_str", "feos.joback.Identifier.to_json_str", "feos.joback.IdentifierOption", "feos.joback.IdentifierOption.__init__", "feos.joback.Joback", "feos.joback.Joback.__init__", "feos.joback.Joback.from_json", "feos.joback.Joback.from_json_segments", "feos.joback.Joback.from_json_smiles", "feos.joback.Joback.from_model_records", "feos.joback.Joback.from_multiple_json", "feos.joback.Joback.from_records", "feos.joback.Joback.from_segments", "feos.joback.Joback.from_smiles", "feos.joback.Joback.new_binary", "feos.joback.Joback.new_pure", "feos.joback.JobackRecord", "feos.joback.JobackRecord.__init__", "feos.joback.JobackRecord.from_json_str", "feos.joback.JobackRecord.to_json_str", "feos.joback.PureRecord", "feos.joback.PureRecord.__init__", "feos.joback.PureRecord.from_json_str", "feos.joback.PureRecord.to_json_str", "feos.joback.SegmentRecord", "feos.joback.SegmentRecord.__init__", "feos.joback.SegmentRecord.from_json", "feos.joback.SegmentRecord.from_json_str", "feos.joback.SegmentRecord.to_json_str", "feos.pcsaft.BinaryRecord", "feos.pcsaft.BinaryRecord.__init__", "feos.pcsaft.BinaryRecord.from_json", "feos.pcsaft.BinaryRecord.from_json_str", "feos.pcsaft.BinaryRecord.to_json_str", "feos.pcsaft.BinarySegmentRecord", "feos.pcsaft.BinarySegmentRecord.__init__", "feos.pcsaft.BinarySegmentRecord.from_json", "feos.pcsaft.BinarySegmentRecord.from_json_str", "feos.pcsaft.BinarySegmentRecord.to_json_str", "feos.pcsaft.ChemicalRecord", "feos.pcsaft.ChemicalRecord.__init__", "feos.pcsaft.ChemicalRecord.from_json_str", "feos.pcsaft.ChemicalRecord.from_smiles", "feos.pcsaft.ChemicalRecord.to_json_str", "feos.pcsaft.DQVariants", "feos.pcsaft.DQVariants.__init__", "feos.pcsaft.Identifier", "feos.pcsaft.Identifier.__init__", "feos.pcsaft.Identifier.from_json_str", "feos.pcsaft.Identifier.to_json_str", "feos.pcsaft.IdentifierOption", "feos.pcsaft.IdentifierOption.__init__", "feos.pcsaft.PcSaftBinaryRecord", "feos.pcsaft.PcSaftBinaryRecord.__init__", "feos.pcsaft.PcSaftBinaryRecord.from_json_str", "feos.pcsaft.PcSaftBinaryRecord.to_json_str", "feos.pcsaft.PcSaftParameters", "feos.pcsaft.PcSaftParameters.__init__", "feos.pcsaft.PcSaftParameters.from_json", "feos.pcsaft.PcSaftParameters.from_json_segments", "feos.pcsaft.PcSaftParameters.from_json_smiles", "feos.pcsaft.PcSaftParameters.from_model_records", "feos.pcsaft.PcSaftParameters.from_multiple_json", "feos.pcsaft.PcSaftParameters.from_records", "feos.pcsaft.PcSaftParameters.from_segments", "feos.pcsaft.PcSaftParameters.from_smiles", "feos.pcsaft.PcSaftParameters.new_binary", "feos.pcsaft.PcSaftParameters.new_pure", "feos.pcsaft.PcSaftRecord", "feos.pcsaft.PcSaftRecord.__init__", "feos.pcsaft.PcSaftRecord.from_json_str", "feos.pcsaft.PcSaftRecord.to_json_str", "feos.pcsaft.PureRecord", "feos.pcsaft.PureRecord.__init__", "feos.pcsaft.PureRecord.from_json_str", "feos.pcsaft.PureRecord.to_json_str", "feos.pcsaft.SegmentRecord", "feos.pcsaft.SegmentRecord.__init__", "feos.pcsaft.SegmentRecord.from_json", "feos.pcsaft.SegmentRecord.from_json_str", "feos.pcsaft.SegmentRecord.to_json_str", "feos.pcsaft.SmartsRecord", "feos.pcsaft.SmartsRecord.__init__", "feos.pcsaft.SmartsRecord.from_json", "feos.pcsaft.SmartsRecord.from_json_str", "feos.pcsaft.SmartsRecord.to_json_str", "feos.pets.BinaryRecord", "feos.pets.BinaryRecord.__init__", "feos.pets.BinaryRecord.from_json", "feos.pets.BinaryRecord.from_json_str", "feos.pets.BinaryRecord.to_json_str", "feos.pets.ChemicalRecord", "feos.pets.ChemicalRecord.__init__", "feos.pets.ChemicalRecord.from_json_str", "feos.pets.ChemicalRecord.from_smiles", "feos.pets.ChemicalRecord.to_json_str", "feos.pets.Identifier", "feos.pets.Identifier.__init__", "feos.pets.Identifier.from_json_str", "feos.pets.Identifier.to_json_str", "feos.pets.IdentifierOption", "feos.pets.IdentifierOption.__init__", "feos.pets.PetsParameters", "feos.pets.PetsParameters.__init__", "feos.pets.PetsParameters.from_json", "feos.pets.PetsParameters.from_lists", "feos.pets.PetsParameters.from_model_records", "feos.pets.PetsParameters.from_multiple_json", "feos.pets.PetsParameters.from_records", "feos.pets.PetsParameters.from_values", "feos.pets.PetsParameters.new_binary", "feos.pets.PetsParameters.new_pure", "feos.pets.PetsRecord", "feos.pets.PetsRecord.__init__", "feos.pets.PetsRecord.from_json_str", "feos.pets.PetsRecord.to_json_str", "feos.pets.PureRecord", "feos.pets.PureRecord.__init__", "feos.pets.PureRecord.from_json_str", "feos.pets.PureRecord.to_json_str", "feos.saftvrmie.BinaryRecord", "feos.saftvrmie.BinaryRecord.__init__", "feos.saftvrmie.BinaryRecord.from_json", "feos.saftvrmie.BinaryRecord.from_json_str", "feos.saftvrmie.BinaryRecord.to_json_str", "feos.saftvrmie.Identifier", "feos.saftvrmie.Identifier.__init__", "feos.saftvrmie.Identifier.from_json_str", "feos.saftvrmie.Identifier.to_json_str", "feos.saftvrmie.IdentifierOption", "feos.saftvrmie.IdentifierOption.__init__", "feos.saftvrmie.PureRecord", "feos.saftvrmie.PureRecord.__init__", "feos.saftvrmie.PureRecord.from_json_str", "feos.saftvrmie.PureRecord.to_json_str", "feos.saftvrmie.SaftVRMieBinaryRecord", "feos.saftvrmie.SaftVRMieBinaryRecord.__init__", "feos.saftvrmie.SaftVRMieBinaryRecord.from_json_str", "feos.saftvrmie.SaftVRMieBinaryRecord.to_json_str", "feos.saftvrmie.SaftVRMieParameters", "feos.saftvrmie.SaftVRMieParameters.__init__", "feos.saftvrmie.SaftVRMieParameters.from_json", "feos.saftvrmie.SaftVRMieParameters.from_model_records", "feos.saftvrmie.SaftVRMieParameters.from_multiple_json", "feos.saftvrmie.SaftVRMieParameters.from_records", "feos.saftvrmie.SaftVRMieParameters.new_binary", "feos.saftvrmie.SaftVRMieParameters.new_pure", "feos.saftvrmie.SaftVRMieRecord", "feos.saftvrmie.SaftVRMieRecord.__init__", "feos.saftvrmie.SaftVRMieRecord.from_json_str", "feos.saftvrmie.SaftVRMieRecord.to_json_str", "feos.saftvrqmie.BinaryRecord", "feos.saftvrqmie.BinaryRecord.__init__", "feos.saftvrqmie.BinaryRecord.from_json", "feos.saftvrqmie.BinaryRecord.from_json_str", "feos.saftvrqmie.BinaryRecord.to_json_str", "feos.saftvrqmie.FeynmanHibbsOrder", "feos.saftvrqmie.FeynmanHibbsOrder.__init__", "feos.saftvrqmie.Identifier", "feos.saftvrqmie.Identifier.__init__", "feos.saftvrqmie.Identifier.from_json_str", "feos.saftvrqmie.Identifier.to_json_str", "feos.saftvrqmie.IdentifierOption", "feos.saftvrqmie.IdentifierOption.__init__", "feos.saftvrqmie.PureRecord", "feos.saftvrqmie.PureRecord.__init__", "feos.saftvrqmie.PureRecord.from_json_str", "feos.saftvrqmie.PureRecord.to_json_str", "feos.saftvrqmie.SaftVRQMieParameters", "feos.saftvrqmie.SaftVRQMieParameters.__init__", "feos.saftvrqmie.SaftVRQMieParameters.diameter", "feos.saftvrqmie.SaftVRQMieParameters.epsilon_k_eff", "feos.saftvrqmie.SaftVRQMieParameters.from_json", "feos.saftvrqmie.SaftVRQMieParameters.from_model_records", "feos.saftvrqmie.SaftVRQMieParameters.from_multiple_json", "feos.saftvrqmie.SaftVRQMieParameters.from_records", "feos.saftvrqmie.SaftVRQMieParameters.lammps_tables", "feos.saftvrqmie.SaftVRQMieParameters.new_binary", "feos.saftvrqmie.SaftVRQMieParameters.new_pure", "feos.saftvrqmie.SaftVRQMieParameters.quantum_d", "feos.saftvrqmie.SaftVRQMieParameters.sigma_eff", "feos.saftvrqmie.SaftVRQMieRecord", "feos.saftvrqmie.SaftVRQMieRecord.__init__", "feos.saftvrqmie.SaftVRQMieRecord.from_json_str", "feos.saftvrqmie.SaftVRQMieRecord.to_json_str", "feos.si.SIArray1", "feos.si.SIArray1.__init__", "feos.si.SIArray1.as_list", "feos.si.SIArray1.cbrt", "feos.si.SIArray1.has_unit", "feos.si.SIArray1.linspace", "feos.si.SIArray1.logspace", "feos.si.SIArray1.sqrt", "feos.si.SIArray2", "feos.si.SIArray2.__init__", "feos.si.SIArray2.as_list", "feos.si.SIArray2.cbrt", "feos.si.SIArray2.has_unit", "feos.si.SIArray2.sqrt", "feos.si.SIArray3", "feos.si.SIArray3.__init__", "feos.si.SIArray3.as_list", "feos.si.SIArray3.cbrt", "feos.si.SIArray3.has_unit", "feos.si.SIArray3.sqrt", "feos.si.SIArray4", "feos.si.SIArray4.__init__", "feos.si.SIArray4.as_list", "feos.si.SIArray4.cbrt", "feos.si.SIArray4.has_unit", "feos.si.SIArray4.sqrt", "feos.si.SINumber", "feos.si.SINumber.__init__", "feos.si.SINumber.cbrt", "feos.si.SINumber.has_unit", "feos.si.SINumber.sqrt", "feos.uvtheory.BinaryRecord", "feos.uvtheory.BinaryRecord.__init__", "feos.uvtheory.BinaryRecord.from_json", "feos.uvtheory.BinaryRecord.from_json_str", "feos.uvtheory.BinaryRecord.to_json_str", "feos.uvtheory.ChemicalRecord", "feos.uvtheory.ChemicalRecord.__init__", "feos.uvtheory.ChemicalRecord.from_json_str", "feos.uvtheory.ChemicalRecord.from_smiles", "feos.uvtheory.ChemicalRecord.to_json_str", "feos.uvtheory.Identifier", "feos.uvtheory.Identifier.__init__", "feos.uvtheory.Identifier.from_json_str", "feos.uvtheory.Identifier.to_json_str", "feos.uvtheory.IdentifierOption", "feos.uvtheory.IdentifierOption.__init__", "feos.uvtheory.Perturbation", "feos.uvtheory.Perturbation.__init__", "feos.uvtheory.PureRecord", "feos.uvtheory.PureRecord.__init__", "feos.uvtheory.PureRecord.from_json_str", "feos.uvtheory.PureRecord.to_json_str", "feos.uvtheory.UVTheoryParameters", "feos.uvtheory.UVTheoryParameters.__init__", "feos.uvtheory.UVTheoryParameters.from_json", "feos.uvtheory.UVTheoryParameters.from_lists", "feos.uvtheory.UVTheoryParameters.from_model_records", "feos.uvtheory.UVTheoryParameters.from_multiple_json", "feos.uvtheory.UVTheoryParameters.from_records", "feos.uvtheory.UVTheoryParameters.new_binary", "feos.uvtheory.UVTheoryParameters.new_pure", "feos.uvtheory.UVTheoryParameters.new_simple", "feos.uvtheory.UVTheoryRecord", "feos.uvtheory.UVTheoryRecord.__init__", "feos.uvtheory.UVTheoryRecord.from_json_str", "feos.uvtheory.UVTheoryRecord.to_json_str", "API", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.joback</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.pcsaft</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.cubic</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.pets</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.saftvrmie</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.saftvrqmie</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.si</span></code>", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos.uvtheory</span></code>", "Help &amp; Feedback", "Welcome to <span class=\"math notranslate nohighlight\">\\(\\text{FeO}_\\text{s}\\)</span>", "Installation", "Recipes", "Critical point of a pure substance", "Vapor pressure and boiling temperature of a pure substance", "Phase diagram of a pure substance", "Phase equilibrium of a pure substance", "Surface tension diagram of a pure substance", "Surface tension of a pure substance", "API", "The <code class=\"docutils literal notranslate\"><span class=\"pre\">EquationOfState</span></code> Trait", "<code class=\"docutils literal notranslate\"><span class=\"pre\">feos-core</span></code>", "Thermodynamic States", "Guide", "Derivatives of density profiles", "Enthalpy of adsorption and the Clausius-Clapeyron relation", "Euler-Lagrange equation", "Functional derivatives", "Classical density functional theory", "Predictive density gradient theory", "DFT solvers", "Equations of state", "Properties", "Association", "Hard spheres", "Models", "Density functional theory", "PC-SAFT", "Surface tension using PC-SAFT Helmholtz energy functionals", "Equations of state", "PC-SAFT", "Entropy scaling of pure substances", "Pure substance phase diagrams", "Representation of thermodynamic states", "Working with parameters", "Implementing an equation of state in python", "Python", "Tutorials", "On Dual Numbers in <code class=\"docutils literal notranslate\"><span class=\"pre\">FeOs</span></code>", "Working with SI-units", "Utility"], "titleterms": {"": [764, 786, 798], "450": 795, "On": 802, "The": [2, 774, 776, 796, 797, 803], "With": 798, "_": [764, 786], "__init__": [6, 11, 16, 20, 28, 32, 36, 42, 48, 50, 63, 65, 67, 69, 77, 84, 95, 106, 119, 122, 125, 128, 135, 204, 211, 213, 215, 223, 230, 234, 236, 240, 242, 262, 273, 284, 362, 369, 371, 386, 392, 399, 401, 406, 411, 416, 420, 428, 432, 434, 438, 440, 444, 448, 453, 458, 463, 468, 475, 481, 485, 489, 491, 496, 501, 505, 507, 519, 523, 527, 532, 537, 542, 547, 549, 553, 555, 559, 571, 575, 579, 584, 589, 594, 599, 603, 605, 615, 619, 623, 628, 632, 634, 638, 642, 650, 654, 659, 661, 665, 667, 671, 684, 688, 696, 702, 708, 714, 719, 724, 729, 733, 735, 737, 741, 751], "access": 798, "add": 776, "addit": 774, "adsorpt": [0, 779], "adsorption1d": [35, 36, 37, 38, 39, 40], "adsorption3d": [41, 42, 43, 44, 45, 46], "adsorption_isotherm": [37, 43], "again": 776, "algorithm": 784, "all": 796, "an": 799, "analysi": 797, "anderson": 784, "anderson_mix": 51, "api": [754, 773], "arctan": 393, "arrai": [776, 803], "as_list": [689, 697, 703, 709], "associ": 787, "avail": 786, "binari": 798, "binary_phase_diagram": 372, "binary_vl": [85, 86, 263, 264], "binary_vle_chemical_potenti": 373, "binary_vle_pressur": 374, "binaryrecord": [5, 6, 7, 8, 9, 400, 401, 402, 403, 404, 531, 532, 533, 534, 535, 588, 589, 590, 591, 592, 622, 623, 624, 625, 626, 653, 654, 655, 656, 657, 718, 719, 720, 721, 722], "binarysegmentrecord": [405, 406, 407, 408, 409, 457, 458, 459, 460, 461, 536, 537, 538, 539, 540], "boil": 768, "boiling_temperatur": [96, 274], "bond": 787, "bubble_point": [97, 275], "bubble_point_lin": [87, 265], "build": [795, 796, 798], "cach": 797, "calcul": [779, 787], "cauchi": 394, "cbrt": [690, 698, 704, 710, 715], "chain": 780, "chemical_potenti": [136, 285], "chemical_potential_contribut": [137, 286], "chemicalrecord": [10, 11, 12, 13, 14, 410, 411, 412, 413, 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323, 324, 325, 326, 327, 328, 329, 330, 331, 332, 333, 334, 335, 336, 337, 338, 339, 340, 341, 342, 343, 344, 345, 346, 347, 348, 349, 350, 351, 352, 353, 354, 355, 356, 357, 358, 359, 360, 776, 785, 793, 795, 796, 797, 798, 799], "statehd": 776, "statevec": [203, 204, 205, 206, 207, 208, 209, 361, 362, 363, 364, 365, 366, 367], "steel": 62, "store": [796, 797], "strength": 787, "struct": 776, "structur": 777, "structure_factor": [197, 351], "substanc": [767, 768, 769, 770, 771, 772, 795, 796, 798], "summari": [774, 776, 798, 802, 803], "surfac": [771, 772, 792], "surfacetensiondiagram": [210, 211, 792], "t": 795, "tabl": 799, "temperatur": 768, "tension": [771, 772, 792], "text": [764, 786], "theori": [782, 783, 788, 790], "thermal_conduct": [352, 382], "thermal_conductivity_refer": 353, "thermal_expans": [198, 354], "thermodynam": [776, 797, 799], "thermodynamic_factor": [199, 355], "thi": [792, 796, 797], "third_virial_coeffici": 258, "third_virial_coefficient_temperature_deriv": 259, "to_dict": [93, 209, 271, 367, 796], "to_json_str": [9, 14, 18, 30, 34, 228, 232, 238, 404, 409, 414, 418, 430, 436, 446, 451, 456, 461, 466, 483, 487, 494, 499, 503, 521, 525, 530, 535, 540, 545, 551, 557, 573, 577, 582, 587, 592, 597, 601, 617, 621, 626, 630, 636, 640, 652, 657, 663, 669, 686, 722, 727, 731, 739, 753], "total_mass": [200, 356], "total_molar_weight": [201, 357], "tp_flash": [102, 202, 280, 358], "trait": 774, "tutori": 801, "type": [0, 1, 2, 3, 4, 755, 756, 757, 758, 759, 760, 761, 762], "unit": 803, "us": 792, "usag": [761, 764], "util": 804, "uvtheori": [260, 718, 719, 720, 721, 722, 723, 724, 725, 726, 727, 728, 729, 730, 731, 732, 733, 734, 735, 736, 737, 738, 739, 740, 741, 742, 743, 744, 745, 746, 747, 748, 749, 750, 751, 752, 753, 762], "uvtheoryparamet": [740, 741, 742, 743, 744, 745, 746, 747, 748, 749], "uvtheoryrecord": [750, 751, 752, 753], "valu": 776, "vapor": 768, "vapor_pressur": [103, 281, 383], "variabl": 776, "verbos": [212, 213, 368, 369], "via": [797, 798], "viscos": [359, 384], "viscosity_refer": 360, "vle": 792, "vle_pure_comp": [104, 282], "vr": 787, "want": 764, "water": 792, "we": 802, "welcom": 764, "where": 777, "work": [798, 803]}})
\ No newline at end of file
diff --git a/tutorials/dft/pcsaft/pcsaft_surface_tension.ipynb b/tutorials/dft/pcsaft/pcsaft_surface_tension.ipynb
index 6d1a0ec0f..fc1bd4b4e 100644
--- a/tutorials/dft/pcsaft/pcsaft_surface_tension.ipynb
+++ b/tutorials/dft/pcsaft/pcsaft_surface_tension.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "dfd50988",
+   "id": "dbfb4ab8",
    "metadata": {},
    "source": [
     "# Surface tension using PC-SAFT Helmholtz energy functionals\n",
@@ -16,7 +16,7 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "d2167c61",
+   "id": "add499d3",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -38,7 +38,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a44e0d51",
+   "id": "8b8fa1d2",
    "metadata": {},
    "source": [
     "### Water parameters for PC-SAFT \n",
@@ -49,7 +49,7 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "eec502a4",
+   "id": "a0abfade",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -63,7 +63,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "48b9bb5f",
+   "id": "ce31b9e5",
    "metadata": {},
    "source": [
     "Let's first compute the critical point. We will make use of the critical temperature later."
@@ -72,7 +72,7 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "059a59b4",
+   "id": "2c1c2d21",
    "metadata": {},
    "outputs": [
     {
@@ -98,7 +98,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "2de07e01",
+   "id": "cdfb81b4",
    "metadata": {},
    "source": [
     "As you can see, the model overestimates the critical temperature."
@@ -106,7 +106,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "bd0c066d",
+   "id": "d6ce5ba9",
    "metadata": {},
    "source": [
     "## Surface tension for single VLE\n",
@@ -120,7 +120,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "53c9b684",
+   "id": "ac238630",
    "metadata": {},
    "source": [
     "For the VLE, we use the `PhaseEquilibrium.pure` method. Here for $T = 300$ Kelvin."
@@ -129,7 +129,7 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "a7127bd8",
+   "id": "354ef640",
    "metadata": {},
    "outputs": [
     {
@@ -157,7 +157,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "e3115a2d",
+   "id": "5a7291b2",
    "metadata": {},
    "source": [
     "Next, we initialize the density profile. For the surface tension, a 1D DFT calculation in Cartesian coordinates is conducted. Thus, the density profile will be an 1D array (we have a single substance). \n",
@@ -172,7 +172,7 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "a54fafda",
+   "id": "2cc8de31",
    "metadata": {},
    "outputs": [
     {
@@ -197,7 +197,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "764a602f",
+   "id": "b5b35eee",
    "metadata": {},
    "source": [
     "The above method does not yet run a calculation. If we try to extract the surface tension, it will return `None`. Let's store the initial density profile for a later comparison."
@@ -206,7 +206,7 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "0b710579",
+   "id": "fa14d039",
    "metadata": {},
    "outputs": [
     {
@@ -226,7 +226,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "a7c15de1",
+   "id": "643b7150",
    "metadata": {},
    "source": [
     "To calculate the equilibrium density profile, we have to call the `solve()` method:"
@@ -235,7 +235,7 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "084db69e",
+   "id": "ab4853ca",
    "metadata": {},
    "outputs": [
     {
@@ -254,7 +254,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "0c779a24",
+   "id": "77709c32",
    "metadata": {},
    "source": [
     "`solve()` calculates the equilibrium density profile and returns the `PlanarInterface` object so that we can readily extract the `surface_tension`.\n",
@@ -265,7 +265,7 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "eac465d3",
+   "id": "2f9f39c0",
    "metadata": {},
    "outputs": [
     {
@@ -294,7 +294,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "eed43680",
+   "id": "2f983792",
    "metadata": {},
    "source": [
     "## Comparison to NIST data using `SurfaceTensionDiagram`\n",
@@ -305,7 +305,7 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "d81f59e4",
+   "id": "b7a25d20",
    "metadata": {},
    "outputs": [
     {
@@ -543,7 +543,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "52c7cb8c",
+   "id": "61b08440",
    "metadata": {},
    "source": [
     "For the `SurfaceTensionDiagram`, we need to provide the VLE's. We compute those using the `PhaseDiagram` object (here for 50 temperatures between 275 Kelvin and the critical temperature) from which we get a list of `PhaseEquilibrium`s via the `states` filed. The `SurfaceTensionDiagram` is nice, because we can reuse equilibrium density profiles from prior iterations as input for the next iteration. It's therefore typically faster and more stable than an \"naive\" implementation by hand.\n",
@@ -554,7 +554,7 @@
   {
    "cell_type": "code",
    "execution_count": 10,
-   "id": "2bd95f3f",
+   "id": "0e36f7b6",
    "metadata": {},
    "outputs": [
     {
@@ -584,7 +584,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "499a0a6b",
+   "id": "10485941",
    "metadata": {},
    "source": [
     "We now can extract all surface tensions via `surface_tension` as well as the liquid and vapor states via the `liquid` and `vapor` getters, respectively. Let's store the results in a pandas `DataFrame` to make plotting easier."
@@ -593,7 +593,7 @@
   {
    "cell_type": "code",
    "execution_count": 11,
-   "id": "6cc6b2fd",
+   "id": "8b8819d0",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -609,7 +609,7 @@
   {
    "cell_type": "code",
    "execution_count": 12,
-   "id": "780479bb",
+   "id": "c1eac6b2",
    "metadata": {},
    "outputs": [
     {
@@ -640,7 +640,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "ecf7d310",
+   "id": "8050c170",
    "metadata": {},
    "source": [
     "## Concluding remkars\n",
diff --git a/tutorials/eos/pcsaft/pcsaft_entropy_scaling.ipynb b/tutorials/eos/pcsaft/pcsaft_entropy_scaling.ipynb
index c426860f1..6e8e8a056 100644
--- a/tutorials/eos/pcsaft/pcsaft_entropy_scaling.ipynb
+++ b/tutorials/eos/pcsaft/pcsaft_entropy_scaling.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "markdown",
-   "id": "c50faaf4",
+   "id": "e8c4a511",
    "metadata": {},
    "source": [
     "# Entropy scaling of pure substances\n",
@@ -19,7 +19,7 @@
   {
    "cell_type": "code",
    "execution_count": 1,
-   "id": "6ba319ea",
+   "id": "d49934cd",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -38,7 +38,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f1eac082",
+   "id": "808e0786",
    "metadata": {},
    "source": [
     "## PC-SAFT (individual component parameters)\n",
@@ -49,7 +49,7 @@
   {
    "cell_type": "code",
    "execution_count": 2,
-   "id": "354df924",
+   "id": "55e877bb",
    "metadata": {},
    "outputs": [
     {
@@ -82,7 +82,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8666997e",
+   "id": "e8f76ec7",
    "metadata": {},
    "source": [
     "## PC-SAFT homo-GC\n",
@@ -93,7 +93,7 @@
   {
    "cell_type": "code",
    "execution_count": 3,
-   "id": "1a47244f",
+   "id": "40ed6c1e",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -160,7 +160,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "40fa3f1b",
+   "id": "931583c9",
    "metadata": {},
    "source": [
     "### Build equations of state\n",
@@ -171,7 +171,7 @@
   {
    "cell_type": "code",
    "execution_count": 4,
-   "id": "45ae67d8",
+   "id": "8347df12",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -185,7 +185,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "f45d41eb",
+   "id": "e4424268",
    "metadata": {},
    "source": [
     "### Compare parameters"
@@ -194,7 +194,7 @@
   {
    "cell_type": "code",
    "execution_count": 5,
-   "id": "c200bd16",
+   "id": "416e49e9",
    "metadata": {},
    "outputs": [
     {
@@ -213,7 +213,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "8da154dc",
+   "id": "a64ac761",
    "metadata": {},
    "source": [
     "## Compare methods to NIST data (T = 450 K)\n",
@@ -224,7 +224,7 @@
   {
    "cell_type": "code",
    "execution_count": 6,
-   "id": "84c6382c",
+   "id": "5269d6ee",
    "metadata": {},
    "outputs": [
     {
@@ -396,7 +396,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "6defa9f4",
+   "id": "aff17a58",
    "metadata": {},
    "source": [
     "We loop through experimental data, read temperature, pressure and the phase (liquid or vapor) and generate `State` objects for the experimental conditions. Then, we compute the residual molar entropy and the logarithmic reduced viscosity."
@@ -405,7 +405,7 @@
   {
    "cell_type": "code",
    "execution_count": 7,
-   "id": "b1570853",
+   "id": "632fcc25",
    "metadata": {},
    "outputs": [
     {
@@ -560,7 +560,7 @@
   {
    "cell_type": "code",
    "execution_count": 8,
-   "id": "0ee4de6b",
+   "id": "dda730b6",
    "metadata": {},
    "outputs": [
     {
@@ -591,7 +591,7 @@
   {
    "cell_type": "code",
    "execution_count": 9,
-   "id": "2f3f2b13",
+   "id": "e2843824",
    "metadata": {},
    "outputs": [
     {