https://github.com/sinagilassi/pythermodb
Python Thermodynamics Databook
https://github.com/sinagilassi/pythermodb
chemical-engineering pythermodb thermodynamic-properties thermodynamics
Last synced: 8 months ago
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Python Thermodynamics Databook
- Host: GitHub
- URL: https://github.com/sinagilassi/pythermodb
- Owner: sinagilassi
- License: mit
- Created: 2024-04-20T01:24:59.000Z (over 1 year ago)
- Default Branch: main
- Last Pushed: 2025-02-09T22:18:03.000Z (8 months ago)
- Last Synced: 2025-02-09T23:23:17.612Z (8 months ago)
- Topics: chemical-engineering, pythermodb, thermodynamic-properties, thermodynamics
- Language: Python
- Homepage: https://pythermodb.readthedocs.io/en/latest/
- Size: 335 KB
- Stars: 1
- Watchers: 1
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
    
Python Thermodynamics Databook
PyThermoDB is a lightweight and user-friendly Python package designed to provide quick access to essential thermodynamic data. Whether you're a student, researcher, or engineer, this package serves as a valuable resource for retrieving thermodynamic properties, equations, and constants from your `custom thermodynamic database` (csv files).
Key Features:
- **Handbook Data**: The package sources its data from well-established thermodynamics handbooks, ensuring accuracy and reliability (*updated regularly*).
- **Custom Thermodynamic Database**: It is possible to builtin your own thermodynamic databook for your project.
- **Minimal Dependencies**: Built with simplicity in mind, the package has minimal external dependencies, making it easy to integrate into your projects.
- **Open Source**: Feel free to explore, contribute, and customize the package according to your needs.
## Google Colab
You can use the following code to run `PyThermoDB` in Google Colab:
| Example | Scripts |
|---------|---------|
| Search Database | [](https://colab.research.google.com/drive/1y5GIE4DH73SwOF2JhsTug2_U_h9Fqexx?usp=sharing) |
| CO₂ Thermodynamic Data | [](https://colab.research.google.com/drive/1mzu70kACdvoB_jO6gTGVegGtK_ssOOHq?usp=sharing) |
| Check Component Availability | [](https://colab.research.google.com/drive/1HdGHS_uypEf_yzsq7fZyLZH3dWnjYVSg?usp=sharing) |
| Basic Usage 2 | [](https://colab.research.google.com/drive/1vj84afCy0qKfHZzQdvLiJRiVstiCX0so?usp=sharing) |
| Basic Usage 1 | [](https://colab.research.google.com/drive/1jWkaSJ280AZFn9t8X7_bqz_pYtY2QKbr?usp=sharing) |
## Streamlit
Check out `PyThermoDB`! [PyThermoDB on Streamlit](https://pythermodb.streamlit.app/)
## Installation
Install PyThermoDB with pip
```python
import pyThermoDB as ptdb
# check version
print(ptdb.__version__)
```
## Usage Example
* databook reference initialization:
```python
# databook reference initialization
tdb = ptdb.init()
```
* DATABOOK LIST:
```python
# databook
db_list = tdb.list_databooks()
print(db_list)
```
* TABLE LIST:
```python
# table list
tb_lists = tdb.list_tables(1)
print(tb_lists)
```
* TABLE INFO:
```python
# display a table
tb_info = tdb.table_info(1, 2)
print(tb_info)
```
* LOAD TABLES (before building):
```python
# load equation to check
vapor_pressure_tb = tdb.equation_load(1, 4)
pp(vapor_pressure_tb.eq_structure(1))
# load data to check
data_table = tdb.data_load(1, 2)
pp(data_table.data_structure())
```
* CHECK COMPONENT AVAILABILITY IN A TABLE:
```python
# check component availability in the databook and table
comp1 = "carbon Dioxide"
# CO2_check_availability = tdb.check_component(comp1, 1, 2)
# load comp data
# comp_data = tdb.get_component_data(comp1, 1, 2, dataframe=True)
# pp(comp_data)
```
* BUILD DATA OBJECT:
```python
# build data
CO2_data = tdb.build_data(comp1, 1, 2)
pp(CO2_data.data_structure())
pp(CO2_data.get_property(4))
```
* BUILD EQUATION OBJECT:
```python
# build an equation
eq = tdb.build_equation(comp1, 1, 4)
pp(eq.args)
res = eq.cal(T=298.15)
pp(res*1e-5)
```
### Build ThermoDB for Components
DataTable & EquationTable saved as an object in `Carbon Dioxide.pkl`
* BUILD THERMODB:
```python
# build a thermodb
thermo_db = ptdb.build_thermodb()
pp(type(thermo_db))
# * add TableData
thermo_db.add_data('general', comp1_data)
# * add TableEquation
thermo_db.add_data('heat-capacity', comp1_eq)
thermo_db.add_data('vapor-pressure', vapor_pressure_eq)
# add string
# thermo_db.add_data('dHf', {'dHf_IG': 152})
# file name
# thermodb_file_path = os.path.join(os.getcwd(), f'{comp1}')
# save
thermo_db.save(
f'{comp1}', file_path='E:\\Python Projects\\pyThermoDB\\tests')
```
* CHECK THERMODB:
```python
# check all properties and functions registered
pp(thermo_db.check_properties())
pp(thermo_db.check_functions())
```
### Load a ThermoDB
`Carbon Dioxide.pkl` can be loaded as:
* LOAD THERMODB
```python
# ref
thermodb_file = 'Carbon Dioxide.pkl'
thermodb_path = os.path.join(os.getcwd(), thermodb_file)
pp(thermodb_path)
```
* LOAD THERMODB
```python
# load thermodb
CO2_thermodb = ptdb.load_thermodb(thermodb_path)
pp(type(CO2_thermodb))
```
* CHECK THERMODB
```python
# check all properties and functions registered
pp(CO2_thermodb.check())
```
### Custom Integral
* Step 1:
Modify `yml file` by adding `CUSTOM-INTEGRAL`.
* Step 2:
Add a name for the new integral body.
* Step 3:
Add a list containing the integral body.
```yml
CUSTOM-INTEGRAL:
Cp/R:
- A1 = parms['a0']*args['T1']
- B1 = (parms['a1']/2)*(args['T1']**2)
- C1 = (parms['a2']/3)*(args['T1']**3)
- D1 = (parms['a3']/4)*(args['T1']**4)
- E1 = (parms['a4']/5)*(args['T1']**5)
- res1 = A1 + B1 + C1 + D1 + E1
- A2 = parms['a0']*args['T2']
- B2 = (parms['a1']/2)*(args['T2']**2)
- C2 = (parms['a2']/3)*(args['T2']**3)
- D2 = (parms['a3']/4)*(args['T2']**4)
- E2 = (parms['a4']/5)*(args['T2']**5)
- res2 = A2 + B2 + C2 + D2 + E2
- res = res2 - res1
```
* CHECK AS:
```python
# check custom integral
pp(comp1_eq.custom_integral)
# check body
pp(comp1_eq.check_custom_integral_equation_body('Cp/R'))
# Cp/R
Cp_cal_custom_integral_Cp__R = comp1_eq.cal_custom_integral(
'Cp/R', T1=298.15, T2=320)
pp(Cp_cal_custom_integral_Cp__R)
```
## FAQ
For any question, contact me on [LinkedIn](https://www.linkedin.com/in/sina-gilassi/)
## Authors
- [@sinagilassi](https://www.github.com/sinagilassi)