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The computer‐derivation of thermodynamic equations Part I. First and Second Derivatives for Simple Systems
Author(s) -
Farah N.,
Missen R. W.
Publication year - 1986
Publication title -
the canadian journal of chemical engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.404
H-Index - 67
eISSN - 1939-019X
pISSN - 0008-4034
DOI - 10.1002/cjce.5450640122
Subject(s) - simple (philosophy) , computer science , microcomputer , conjunction (astronomy) , mathematics , degrees of freedom (physics and chemistry) , algorithm , thermodynamics , telecommunications , philosophy , chip , physics , epistemology , astronomy
An algorithm is described for the systematic derivation of expressions for first and second thermodynamic derivatives involving the use of Jacobians. The algorithm is implemented by means of a list‐processing language in conjunction with a commercially available symbolic mathematical system for use with a microcomputer. The algorithm is intended to replace tables and procedures currently used “by hand”. Attention is limited in this paper to simple systems with two degrees of freedom, but the algorithm is to be extended ultimately to chemical systems subject to equilibrium constraints. Examples are given to illustrate the procedure.