Data for: Approximation of thermodynamic functions of aluminosilicates with zeolite-like compositions by Einstein-Planck functions sum

Published: 12-11-2019| Version 1 | DOI: 10.17632/hdcxctggkk.1
Contributor:
Alexey Voskov

Description

This repository contains the input files (*.txt) for CpFit program. These files are database that contains Einstein-Planck functions sum model parameters and experimental data (thermodynamic properties of individual aluminosilicates) that were used for their optimization. The input files also contain all statistical weights that are required for this optimization. This repository also contains the files (*.csv) with tabulated values. * T is given in K. * Cp (isobaric heat capacity) is given in J/(mol*K). * S (entropy) is given in J/(mol*K). * H-H0 (heat content) is given in J/mol.

Files

Steps to reproduce

Use CpFit program to read *.txt files. The description of CpFit program can be found in the next article: Voskov A.L., Kutsenok I.B., Voronin G.F. CpFit program for approximation of heat capacities and enthalpies by Einstein-Planck functions sum // Calphad, 2018, V.61, P.50-61. https://doi.org/10.1016/j.calphad.2018.02.001