Derivation of operational definitions for the computer calculation of partial molar properties in multicomponent mixtures

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Abstract

Two sets of fluctuation-explicit operational definitions for partial molar enthalpies, energies and volumes are derived. The equations are valid for multicomponent and binary mixtures, respectively, and allow the calculation of partial molar volumes, energies, and enthalpies through both deterministic and stochastic computer simulations.

Original languageEnglish (US)
Pages (from-to)325-329
Number of pages5
JournalChemical Physics Letters
Volume132
Issue number3
DOIs
StatePublished - Dec 12 1986

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

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