Title:

ARE CHEMICAL MODELING AND CHEMICAL THERMODYNAMICS SYNONYMS?

Authors:

Mahendra P. Verma

Key Words:

thermodynamics

Conference:

Stanford Geothermal Workshop

Year:

2000

Session:

Geochemistry

Language:

English

File Size:

61KB

View File:

Abstract:

The value of equilibrium constant for a chemical reaction at a specified temperature and pressure can be calculated from the thermodynamic data of the substances involved in the reaction. But in practice it seldom happens that the calculated and experimentally measured values of the constant for a reaction in an aqueous solution at high temperatures and pressures are close together. A comparison of experimental values of the dissociation constant of water (KW) with the values used in computer programs suggests that the inconsistency in the values of equilibrium constant is one of reasons that the programs do not function well for different types of system. Similarly there is no agreement between experimental and theoretical values of KW except at 25?C.
A critical analysis of the experimental methods used for the determination of KW suggests that the values of KW at high temperature and pressure are not reliable. The thermodynamic data of aqueous species are determined through the experimental values of equilibrium constant. Therefore, the approaches, chemical modeling and chemical thermodynamics should be synonymous. In actuality, the thermodynamic data are not updated for the latest measurement of the equilibrium constants as it is seen for the most important aqueous reaction, the dissociation of water.


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