sandlerprops

A Python interface to the pure-component properties database that originally accompanied the textbook Chemical, Biochemical, and Engineering Thermodynamics (4th edition) by Stan Sandler (Wiley, USA).

Installation

pip install sandlerprops

Usage example

Command-line interface

$ sandlerprops find methane
Found exact match: methane (index 116)
$ sandlerprops find methanx
methanx not found.  Here are similars:
methane
methanol
ethane
ethanol
methylal
methyl amine
nitromethane
deutromethane
methyl silane
dimethylamine
$ sandlerprops show benzene
Properties of benzene (index 343):
  No        : 343
  Formula   : C6H6
  Name      : benzene
  Molwt     :  78.114    g/mol
  Tfp       :  278.7     K
  Tb        :  353.2     K
  Tc        :  562.2     K
  Pc        :  48.90     bar
  Vc        :  259.000   m3/mol
  Zc        :  0.271
  Omega     :  0.212
  Dipm      : 0
  CpA       : -33.92     J/mol-K
  CpB       :  0.4739    J/mol-K2
  CpC       : -3.0170e-04 J/mol-K3
  CpD       :  7.1300e-08 J/mol-K4
  dHf       :  82980.0   J/mol
  dGf       :  129700.0  J/mol
  Eq        : 1
  VpA       : -6.98273
  VpB       :  1.33213
  VpC       : -2.62863
  VpD       : -3.33399
  Tmin      :  288.0     K
  Tmax      :  562.2     K
  Lden      :  0.885
  Tden      :  289.0

API

>>> from sandlerprops.properties import PropertiesDatabase
>>> P = PropertiesDatabase()
>>> m = P.get_compound('methane')
>>> m.Molwt
16.043
>>> P.U.Molwt
'g/mol'
>>> m.Tc
190.4
>>> P.U.Tc
'K'
>>> e = P.get_compound('ethanz')
ethanz not found.  Here are similars:
ethane
methane
ethanol
methanol
ethyl amine
ethylene
methylal
methyl amine
ethylbenzene
nitromethane

Release History

• 0.3.1
  • set preferred atom ordering so that H comes right after C
• 0.3.0
  • Introduced Compound class for data returns
  • Corrected three typos in the original database
• 0.2.2
  • updated formatting
• 0.1.0
  • command-line interface
• 0.0.3
  • returns similar names found in database if requested name is not found
• 0.0.2
  • Updated dependencies
• 0.0.1
  • Initial version

Meta

Cameron F. Abrams – cfa22@drexel.edu

Distributed under the MIT license. See LICENSE for more information.

https://github.com/cameronabrams

Contributing

1. Fork it (https://github.com/cameronabrams/sandlerprops/fork)
2. Create your feature branch (git checkout -b feature/fooBar)
3. Commit your changes (git commit -am 'Add some fooBar')
4. Push to the branch (git push origin feature/fooBar)
5. Create a new Pull Request