BSD Ports

wip/py-chemicals 1.2.0 NetBSD

Chemical properties component of ChEDL library

System
NetBSD
Repository
pkgsrc-wip
Maintainer
[email protected]
License
mit
Categories
wip, biology, python

Description

The chemicals library features an extensive compilation of pure component chemical data that can serve engineers, scientists, technicians, and anyone working with chemicals. The chemicals library facilitates the retrieval and calculation of:

Chemical constants including formula, molecular weight, normal boiling and

melting points, triple point, heat of formation, absolute entropy of formation, heat of fusion, similarity variable, dipole moment, acentric factor, etc.

Assorted information of safety and toxicity of chemicals.

Methods (and their respective coefficients) for the calculation of

temperature and pressure dependent chemical properties including vapor pressure, heat capacity, molar volume, thermal conductivity, surface tension, dynamic viscosity, heat of vaporization, relative permittivity, etc.

Methods to solve thermodynamic phase equilibrium, including flash routines,

vapor-liquid equilibrium constant correlations, and both numerical and analytical solutions for the Rachford Rice and Li-Johns-Ahmadi equations. Rashford Rice solutions for systems of 3 or more phases are also available.

Install

From pkgsrc-wip (no binary package):

cd /usr/pkgsrc/wip/py-chemicals && make install clean

Dependency graph

Ports that need it on the left, what it needs to run on the right; at most 8 of each. "Dependencies" below lists them all.

Dependencies

Build dependencies 1
Run dependencies 4
Required by 1