py311-chempy

Package useful for solving problems in chemistry

ChemPy is a Python package useful for chemistry (mainly physical/inorganic/analytical chemistry). Currently it includes: * Numerical integration routines for chemical kinetics (ODE solver front-end) * Integrated rate expressions (and convenience fitting routines) * Solver for equilibria (including multiphase systems) * Relations in physical chemistry: * Debye-Huckel expressions * Arrhenius & Eyring equation * Einstein-Smoluchowski equation * Properties (pure python implementations from the literature) * water density as function of temperature * water permittivity as function of temperature and pressure * water diffusivity as function of temperature * water viscosity as function of temperature * sulfuric acid density as function of temperature & weight fraction H2SO4