From 8ffa3f1d01cfe0344958f27f4bb1a85cc2929f85 Mon Sep 17 00:00:00 2001
From: jmaedler <j.maedler@gmx.net>
Date: Sun, 15 Sep 2024 21:00:13 +0200
Subject: [PATCH] Setup of the first BSTR example

---
 Project.toml                     |  5 +++++
 docs/make.jl                     |  4 +++-
 docs/src/examples/simple_bstr.md | 22 ++++++++++++++++++++++
 examples/run_simpleBSTR.jl       | 16 ++++++++++++++++
 src/BSTR.jl                      | 15 +++++++++++++++
 src/ProcessModels.jl             |  4 ++++
 6 files changed, 65 insertions(+), 1 deletion(-)
 create mode 100644 docs/src/examples/simple_bstr.md
 create mode 100644 examples/run_simpleBSTR.jl
 create mode 100644 src/BSTR.jl

diff --git a/Project.toml b/Project.toml
index dbdf863..6ad6251 100644
--- a/Project.toml
+++ b/Project.toml
@@ -3,6 +3,11 @@ uuid = "3852ba64-8153-459f-9b4c-35a924b2b981"
 authors = ["Jonathan Mädler <j.maedler@gmx.net>"]
 version = "1.0.0-DEV"
 
+[deps]
+DifferentialEquations = "0c46a032-eb83-5123-abaf-570d42b7fbaa"
+ModelingToolkit = "961ee093-0014-501f-94e3-6117800e7a78"
+Plots = "91a5bcdd-55d7-5caf-9e0b-520d859cae80"
+
 [compat]
 julia = "1.10"
 
diff --git a/docs/make.jl b/docs/make.jl
index a47a6e5..a1a3c48 100644
--- a/docs/make.jl
+++ b/docs/make.jl
@@ -11,13 +11,15 @@ makedocs(;
         canonical="https://jmaedler.github.io/ProcessModels.jl",
         edit_link="main",
         assets=String[],
+        prettyurls = get(ENV, "CI", nothing) == "true", # Modifiziert: für ordentliche lokale Verlinkung
     ),
     pages=[
         "Home" => "index.md",
+        "BSTR" => "examples/simple_bstr.md"
     ],
 )
 
 deploydocs(;
     repo="github.com/jmaedler/ProcessModels.jl",
     devbranch="main",
-)
+)
\ No newline at end of file
diff --git a/docs/src/examples/simple_bstr.md b/docs/src/examples/simple_bstr.md
new file mode 100644
index 0000000..d6cd3a1
--- /dev/null
+++ b/docs/src/examples/simple_bstr.md
@@ -0,0 +1,22 @@
+## Simple Batch Rector
+
+This is a simple model of an batch stirred tank reactor (BSTR). Assuming a reaction system of
+
+```math
+\mathrm{A} \rightarrow \mathrm{B}
+```
+
+the following system of differential equations can be derived:
+
+
+```math
+\begin{align*}
+\frac{\mathrm{d} \, c_\mathrm{A}}{\mathrm{d} \, t} &= - k \, c_\mathrm{A} \\
+\frac{\mathrm{d} \, c_\mathrm{B}}{\mathrm{d} \, t} &= k \, c_\mathrm{B}
+\end{align*}
+```
+
+| Name  | Unit  | Description |
+| :--- | :--- | :--- |
+|``c_\mathrm{A}``| ``\mathrm{mol \, L^{-1}}`` | Molar concentration of species A |
+|``c_\mathrm{B}``| ``\mathrm{mol \, L^{-1}}`` | Molar concentration of species B |
\ No newline at end of file
diff --git a/examples/run_simpleBSTR.jl b/examples/run_simpleBSTR.jl
new file mode 100644
index 0000000..f88da7b
--- /dev/null
+++ b/examples/run_simpleBSTR.jl
@@ -0,0 +1,16 @@
+using ProcessModels
+using ModelingToolkit
+using DifferentialEquations
+using Plots
+
+@mtkbuild bstr = SimpleBSTR(;k = 1)
+
+u_0 = [bstr.c_A => 10, bstr.c_B => 0] 
+
+tspan = (0,10)
+
+prob = ODEProblem(bstr,u_0,tspan)
+
+sol = solve(prob)
+
+plot(sol)
\ No newline at end of file
diff --git a/src/BSTR.jl b/src/BSTR.jl
new file mode 100644
index 0000000..de3f4ed
--- /dev/null
+++ b/src/BSTR.jl
@@ -0,0 +1,15 @@
+using ModelingToolkit: t_nounits as t, D_nounits as D
+
+@mtkmodel SimpleBSTR begin
+    @parameters begin
+        k
+    end
+    @variables begin
+        c_A(t)
+        c_B(t)
+    end
+    @equations begin
+        D(c_A) ~ -k*c_A
+        D(c_B) ~ k*c_A
+    end
+end
\ No newline at end of file
diff --git a/src/ProcessModels.jl b/src/ProcessModels.jl
index b932e05..9bf2f38 100644
--- a/src/ProcessModels.jl
+++ b/src/ProcessModels.jl
@@ -1,5 +1,9 @@
 module ProcessModels
 
+using ModelingToolkit
 # Write your package code here.
 
+include("BSTR.jl")
+export SimpleBSTR
+
 end