Awesome

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 "<stdin>", line 1, in <module>
	  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).