https://github.com/sinagilassi/pyctpm
Python Chemical Thermodynamics for Process Modeling
https://github.com/sinagilassi/pyctpm
chemical-engineering process-modeling process-simulation thermodynamic-properties thermodynamics
Last synced: 2 months ago
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Python Chemical Thermodynamics for Process Modeling
- Host: GitHub
- URL: https://github.com/sinagilassi/pyctpm
- Owner: sinagilassi
- License: mit
- Created: 2021-05-28T23:38:00.000Z (over 4 years ago)
- Default Branch: main
- Last Pushed: 2024-08-20T03:27:27.000Z (over 1 year ago)
- Last Synced: 2024-08-21T06:37:41.762Z (over 1 year ago)
- Topics: chemical-engineering, process-modeling, process-simulation, thermodynamic-properties, thermodynamics
- Language: Python
- Homepage:
- Size: 354 KB
- Stars: 1
- Watchers: 1
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE.md
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README
# Python Chemical Thermodynamics for Process Modeling
    [](https://colab.research.google.com/drive/1vyWxL_OKn304sb-yPLKisKc70lDozwtl?usp=sharing) [](https://colab.research.google.com/drive/1ZbMuwkVkTxYNhVCnyfBkEvDrez_aH8bx?usp=sharing)
## ::: Under Maintenance :::
Python Chemical Thermodynamics for Process Modeling (PyCTPM) is an open-source package which can be used to estimate thermodynamic properties in a typical process modeling.
The current version consists of methods for estimation of gas properties as:
1. Diffusivity coefficient (DiCo)
2. Heat capacity at constant pressure (Cpp)
3. Thermal conductivity (ThCo)
4. Viscosity (Vi)
The above thermodynamic properties can be estimate for single and multi-component systems.
Note:
DiCo-MIX is the Diffusivity coefficient for a multi-component system
# Example
You can also run PyCTPM on Google Colaboratory as:
1. [Example 1](https://colab.research.google.com/drive/1vyWxL_OKn304sb-yPLKisKc70lDozwtl?usp=sharing)
2. [Example 2: mixture properties](https://colab.research.google.com/drive/1ZbMuwkVkTxYNhVCnyfBkEvDrez_aH8bx?usp=sharing)
# Getting started
You can install this package
```bash
pip install PyCTPM
```
## Documentation
PyCTPM can be initialized as follows:
1- COMPONENT SELECTION
In order to define these components: H2; CO2; H2O; CO; CH3OH; DME
this code is automatically converted to python as:
```python
# component list
compList = ["H2","CO2","H2O","CO","CH4O","C2H6O"]
```
2- OTHER PROPERTIES
```python
# Mole fraction of each component is defined as an element in a python list as:
MoFri = [0.50, 0.25, 0.0001, 0.25, 0.0001, 0.0001]
# temperature [K]
T = 523
# pressure [Pa]
P = 3500000
# model input
modelInput = {
"components": compList,
"MoFri": MoFri,
"params": {
"P": P,
"T": T,
},
"unit": "SI",
"eq": 'DEFAULT'
}
```
Note:
The modelInput keys, unit and eq, they should be set as above in the current version.
3- ESTIMATE PROPERTIES
```python
# import package/module
import PyCTPM
from PyCTPM import thermo, thermoInfo, PackInfo
# version
print("PyCTPM version: ", PyCTPM.__version__)
# description
print("PyCTPM description: ", PyCTPM.__description__)
# component available in the database
PackInfo.components()
# property
PackInfo.properties()
# property list
propNameList = ["MW", "Tc", "Pc", "w", "dHf25", "dGf25"]
for i in range(len(propNameList)):
print(thermo(propNameList[i], modelInput))
# property info
# all property info
print(thermoInfo('ALL'))
# one property
for i in range(len(propNameList)):
print(thermoInfo(propNameList[i]))
# diffusivity coefficient of components in the mixture
res = thermo("DiCo-MIX", modelInput)
# log
print("Dij: ", res)
# heat capacity of components at desired temp [kJ/kmol.K]
res = thermo("Cpp", modelInput)
# log
print("Cpp: ", res)
# mean heat capacity of components at desired temp (Tref = 25 C) [kJ/kmol.K]
res = thermo("Cpp-MEAN", modelInput)
# log
print("Cpp-MEAN: ", res)
# mixture heat capacity of components at desired temp (Tref = 25 C) [kJ/kmol.K]
res = thermo("Cpp-MIX", modelInput)
# log
print("Cpp-MIX: ", res)
# thermal conductivity of components in the mixture [W/m.K]
res = thermo("ThCo", modelInput)
# log
print("ThCoi: ", res)
# thermal conductivity in the mixture [W/m.K]
res = thermo("ThCo-MIX", modelInput)
# log
print("ThCo-MIX: ", res)
# viscosity of components [Pa.s]
res = thermo("Vi", modelInput)
# log
print("Vi: ", res)
# viscosity mixture [Pa.s]
res = thermo("Vi-MIX", modelInput)
# log
print("Vi-MIX: ", res)
```
## FAQ
For any question, you can contact me on [LinkedIn](https://www.linkedin.com/in/sina-gilassi/) or [Twitter](https://twitter.com/sinagilassi).
## Authors
- [@sinagilassi](https://www.github.com/sinagilassi)