Calculation of Standard Thermodynamic Potentials for Na-Zeolites with the Use of Linear Programming Problems

Oleg Viacheslavovich Yeriomin

doi:10.4236/ijg.2011.23024

Oleg Viacheslavovich Yeriomin

Open Access

https://doi.org/10.4236/ijg.2011.23024

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Abstract

Linear programming problems for Na-Al-Si-O-H system have been formulated and solved for calculations of standard enthalpies and Gibbs potentials of zeolites with unknown thermodynamic properties. The calculations are based on dual solutions of linear programming problems. Comparison of numerical results with published data gives relative mistakes of estimations less than one percent. On the basis of calculated potentials the standard entropies have been estimated. The standard thermodynamic potentials for eight natural zeolites with unknown properties have been calculated. The presented method does not demand any information about crystal structure of zeolites and can be applied to any of their stoichiometric presentation.

Highlights

Zeolites are very important aluminosilicate microporous substances of multipurpose usage
The method of calculation standard thermodynamic po- tentials for Na-zeolites has been proposed on the basis of dual solutions of linear programming problems
The presented method does not demand any information about crystal structure of zeolites and can be applied to any of their stoichiometric presentation

Summary

Introduction

Zeolites are very important aluminosilicate microporous substances of multipurpose usage Possessing specific framework they actively participate in processes of sorption and ion exchange, catalysis, that has caused their wide application in the industry, agriculture, medicine, environment protection. One group of methods is based on the additivity of oxides (or hydroxides) components of zeolites [1]. These models have a good accuracy for anhydrous forms but in cases with zeolitic water the divergence of estimations is more significant. Another group of methods uses the framework data of zeolites [2]. We’ll consider the application of linear programming methods for an estimation of thermodynamic potentials for Na-zeolites

Methodology

Results and Discussion

Conclusions