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

Pablo G. Debenedetti

doi:10.1016/0009-2614(86)80133-6

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

Pablo G. Debenedetti

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

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 language	English (US)
Pages (from-to)	325-329
Number of pages	5
Journal	Chemical Physics Letters
Volume	132
Issue number	3
DOIs	https://doi.org/10.1016/0009-2614(86)80133-6
State	Published - Dec 12 1986

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1016/0009-2614(86)80133-6

Cite this

@article{14eb2a9ec09c4178ba7a92951046c453,

title = "Derivation of operational definitions for the computer calculation of partial molar properties in multicomponent mixtures",

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.",

author = "Debenedetti, {Pablo G.}",

year = "1986",

month = dec,

day = "12",

doi = "10.1016/0009-2614(86)80133-6",

language = "English (US)",

volume = "132",

pages = "325--329",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "3",

}

TY - JOUR

T1 - Derivation of operational definitions for the computer calculation of partial molar properties in multicomponent mixtures

AU - Debenedetti, Pablo G.

PY - 1986/12/12

Y1 - 1986/12/12

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=46149128656&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=46149128656&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(86)80133-6

DO - 10.1016/0009-2614(86)80133-6

M3 - Article

AN - SCOPUS:46149128656

SN - 0009-2614

VL - 132

SP - 325

EP - 329

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3

ER -

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

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this