Estimation of thermodynamic properties of mineral carbonates at high and low temperatures from the sum of polyhedral contributions

Details Estimation of thermodynamic properties of mineral carbonates at high and low temperatures from the sum of polyhedral contributions Estimation of thermodynamic properties of mineral carbonates at high and low temperatures from the sum of polyhedral contributions

Oct 1994

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1994gecoa..58.3983l&link_type=abstract

Geochimica et Cosmochimica Acta, vol. 58, Issue 19, pp.3983-3991

Physics

Scientific paper

Using the basic polyhedral units model of Hazen and employing the iteration technique of Gauss-Seidel, the contribution of twenty basic units to the free energy, enthalpy and entropy at 298 K and 1 bar of pressure, has been calculated for mineral carbonates. The contribution of these basic units to the free energy and heat capacity at higher temperatures has also been calculated. This calculated parameters allow the estimation of thermodynamic properties of carbonates by summing the contributions of the distinct polyhedral units, with more accuracy than the methods published up until now.

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