https://github.com/guillemborrell/thermopy

Python library for thermodynamics.
https://github.com/guillemborrell/thermopy

Last synced: 2 months ago
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Python library for thermodynamics.

• Host: GitHub
• URL: https://github.com/guillemborrell/thermopy
• Owner: guillemborrell
• License: other
• Created: 2014-02-26T11:50:54.000Z (almost 11 years ago)
• Default Branch: master
• Last Pushed: 2024-05-30T13:47:51.000Z (8 months ago)
• Last Synced: 2024-11-10T04:27:59.570Z (3 months ago)
• Language: Python
• Size: 2.18 MB
• Stars: 53
• Watchers: 9
• Forks: 23
• Open Issues: 1
• Metadata Files:
  • Readme: readme.md
  • License: license.txt
  • Authors: authors.txt

Awesome Lists containing this project

• awesome-physics - thermopy - A python library for thermodynamics (Thermodynamics / Sound)

README

        
# Documentation:

https://guillemborrell.github.io/thermopy/

# thermopy 

Python library for thermodynamics and other handy tools. Only python3 is

supported.

Thermodynamics (all these properties as function of temperature for thousands of compounds):

	- Specific heat capacity

	- Enthalpy

	- Entropy

Temperature independent data:

	- Molecular weight

	- Enthalpy of formation

and much more.

For water, pressure is also an input (higher accuracy using IAPWS).

Modelling of chemical reactions is also present. Main features:

	- Equilibrium constant as a function of temperature

	- Heat of reaction as a function of temperature

Handy tools:

	- Units conversion module

	- Hundreds of physical constants

See the documentation for further details and examples.

## Installing

Make sure you have both `numpy` and `scipy` installed.

Then install it:

```

python3 thermopy/setup.py install

```

## Testing

Inside thermopy directory execute:

```

python3 thermopy/setup.py test

```

## Changelog:

v0.5.4:

    - Merge with old 'thermopy3' complete. The only name from now on is

      thermopy.

    - Documentation now using sphinx instead of pdf files.

    - Code compliance and readability improved.

    - Code and logic uniformized.

v0.5.3:

	

	- Merged with original thermopy and discarded the 'thermopy3' name.

	- Added meaningful docstrings to every package, module, class, method and function.

	- Uniformized docstrings to comply with google docstrings style.

	- Improved compliance with PEP 257 and PEP 8.

	- Migrated documentation to sphinx (pdf will no longer be available).

v0.5.2:

    - Changed the names from thermopy to thermopy3 because the former was already in use in pypi.

    

    - IAPWS is now on SI and (molar basis) instead of its native kJ, kg units.

v0.5.1:

	- Fix error with relative import of xml databases.

v0.5.0:

	- First release from v0.4.0.

	

	- Ported from python2.7 to python3.4.

## TODO

    - Despite burcat was supersed with nasa9polynomials update its

      documentation.

	- Transform IAPWS module into molar basis to be consistent with burcat and nasa9polynomials.

	- Fix the setting of a compound when it is ambiguous:

		>>> csbr = db.set_compound('LYQFWZFBNBDLEO-UHFFFAOYSA-M')

		Traceback (most recent call last):

		  File "", line 1, in 

		  File "/home/monteiro/cloud/cloud_work/fmv1992_github/thermopy/thermopy/nasa9polynomials.py", line 501, in set_compound

			('Ga2O', 'gallium;oxygen(2-)')

		Exception: ("The compound 'LYQFWZFBNBDLEO-UHFFFAOYSA-M' you are trying to set is not unique: CsBr", 'CsBr(cr)')

	- Increase the testing coverage.

    - Implement units for every output so output is not a number but a dimension (e.g. 1 J/kg instead of 1).