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A linear chemical‐physical theory model for liquid metal solution thermodynamics
Author(s) -
Howell Wayne J.,
Lira Carl T.,
Eckert Charles A.
Publication year - 1988
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690340909
Subject(s) - thermodynamics , intermetallic , enthalpy , gibbs free energy , chemistry , entropy of mixing , mixing (physics) , chemical thermodynamics , binary number , alloy , physics , organic chemistry , mathematics , non equilibrium thermodynamics , quantum mechanics , arithmetic
Abstract The simplified chemical‐physical theory (SCPT) for compound‐forming liquid metal solutions is improved by a reduction in the number of modeling parameters using an adaptation of the group contribution approach. A group contribution technique is applied to linearize the Gibbs energy (and enthalpy) of formation of intermetallic compounds. As a result, the activities or Gibbs energies of many binary liquid alloy systems are represented successfully with only a single parameter for the chemical interactions and another for the physical interactions. Similarly, the enthalpies of mixing are modeled well using only the temperature derivatives of these two parameters.