Data for: Thermodynamic database of zeolites and new method of their thermodynamic properties evaluation for a wide temperature range

Published: 1 May 2019| Version 1 | DOI: 10.17632/w74w4kt362.1
Alexey Voskov, Ilya Kutsenok, Gennady Voronin, Nikolay Kozin


This data set contains thermodynamic database with thermodynamic functions (heat capacity, entropy and heat content) for 46 zeolites, their tabulated values and raw data used for its parameters optimization. It is valid for 0-1000 K. The layout of thermodynamic functions is based on Einstein-Planck functions sum; raw data files are designed for CpFit program. It also contains MATLAB implementation of the additive group contribution model for zeolites.



Moskovskij gosudarstvennyj universitet imeni M V Lomonosova Himiceskij fakul'tet


Physical Chemistry, Chemical Thermodynamics