BinaryDistillation_CompositionFinder

Modifications.md

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+# **Installation Guide**  
+
+1. **Clone this repository**  
+   ```sh
+   git clone https://github.com/omarbay/biosteam.git
+   cd biosteam
+   ```
+
+2. **Ensure Python Version < 3.13**  
+   Check your Python version:  
+   ```sh
+   python --version
+   ```  
+   If you have Python 3.13 or later, install Python 3.12.9 and ensure it's used in the virtual environment.  
+
+3. **Create and Activate a Virtual Environment**  
+   ```sh
+   python -m venv venv  
+   source venv/bin/activate  # On macOS/Linux  
+   venv\Scripts\activate     # On Windows  
+   ```  
+
+4. **Install a Compatible Thermosteam Version for This Biosteam Version**  
+   Run the following commands:  
+   ```sh
+   git submodule init  
+   git submodule update  # (This may take a long time. To speed it up, consider removing 'Bioindustrial-park' and 'How2STEAM' from the .gitmodules file after initialization.)
+   cd thermosteam  
+   pip install .
+   cd ..
+   ```
+
+5. **Install Dependencies from `requirements.txt`**  
+   ```sh
+   pip install -r requirements.txt
+   ```
+
+6. **Run the Example Script**  
+   ```sh
+   python binary-distillation-example.py
+   ```
+
+# Issues Encountered  
+
+### **Biosteam Module Compatibility**  
+**Issue:** Some requirements in the Biosteam module require a Python version lower than 3.13 (latest: 3.13.2).  
+**Fix:** Install Python 3.12.9.  
+
+### **Thermosteam Version Compatibility**  
+**Issue:** The Thermosteam version available on pip (0.51.5) is not compatible with the Biosteam version on GitHub, which requires Thermosteam 0.51.6.  
+**Fix:** Clone the Thermosteam submodule from Git and uninstall the pip version.  
+**Commands:**  
+```sh
+git submodule init  
+git submodule update  # (This may take too long. To speed up future updates, consider removing 'Bioindustrial-park' and 'How2STEAM' from the .gitmodules file after initialization.)
+cd thermosteam  
+pip install .
+```
+
+---
+
+# **Modifications**  
+
+### **Modified Functions (All in `distillation.py`)**  
+- `Distillation.__init__`  
+- `Distillation._set_distillation_product_specifications`  
+- `BinaryDistillation._run`  
+- `Distillation._run_binary_distillation_mass_balance`  
+- `Distillation._update_distillate_and_bottoms_temperature`  
+- `BinaryDistillation._design`  
+- `BinaryDistillation._run_McCabeThiele`  
+
+### **New Functions**  
+- **`BinaryDistillation._calculate_stages`**  
+  - Extracts the code responsible for calculating the number of stages from `BinaryDistillation._run_McCabeThiele`.  
+  - Returns the computed number of stages.  
+
+- **`BinaryDistillation._mccabe_thiele_find_X_bot`**  
+  - Performs a binary search on `x_bot`, validating it based on the provided number of stages.  
+
+- **`BinaryDistillation._mccabe_thiele_find_Y_top`**  
+  - Performs a binary search on `y_top`, validating it based on the provided number of stages.  
+
+### **Modifications** 
+
+### **1. `Distillation.__init__`**  
+- Added `N_stages` as a parameter in the class constructor (default: `None`).  
+- Passes `N_stages` to `Distillation._set_distillation_product_specifications`.  
+
+### **2. `x_bot` Setter**  
+- Added an assertion to allow `x_bot == None`.  
+
+### **3. `y_top` Setter**  
+- Added an assertion to allow `y_top == None`.  
+
+### **4. `Distillation._set_distillation_product_specifications`**  
+- Added `N_stages` as a parameter.  
+- Introduced cases:  
+  - If `N_stages` and `y_top` are provided but `x_bot` is not.  
+  - If `N_stages` and `x_bot` are provided but `y_top` is not.  
+
+### **5. `BinaryDistillation._run`**  
+- Added a condition to prevent calling `Distillation._update_distillate_and_bottoms_temperature` if `x_bot` or `y_top` is `None`.  
+
+### **6. `Distillation._run_binary_distillation_mass_balance`**  
+- Added a condition to check if `x_bot` and `y_top` are not `None` before performing mass balance calculations.  
+- Replaced `else` with `elif spec != 'Composition'`.  
+- Moved the code from the previous `else` block into the above two cases.  
+
+### **7. `BinaryDistillation._run_McCabeThiele`**  
+- Now handles three cases:  
+  - **Case 1:** If `N_stages` is `None` but `x_bot` and `y_top` are defined → Calls `BinaryDistillation._calculate_stages`.  
+  - **Case 2:** If `x_bot` is `None` but `N_stages` and `y_top` are defined → Calls `BinaryDistillation._mccabe_thiele_find_X_bot`.  
+  - **Case 3:** If `y_top` is `None` but `N_stages` and `x_bot` are defined → Calls `BinaryDistillation._mccabe_thiele_find_Y_top`.