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  • In contrast to the common intuitive/speculative approach based on an analysis of thermodynamic or structural data of (nonpolar) fluids, the statistical mechanical approach is used to extend the excluded volume concept to all other types of fluids. The (extended) excluded volume incorporates, in addition to common nonelectrostatic interactions defining the shape and size of the molecules, also the short-range part of the repulsive interactions between the embedded Coulombic sites. In this study we show that the extended excluded volume concept correctly predicts the behavior of the partial molar volume (PMV) at infinite dilution in different solvents and, particularly, differences between nonpolar and associating solvents. The concept is then applied to estimate the PMV of methanol in water.
  • In contrast to the common intuitive/speculative approach based on an analysis of thermodynamic or structural data of (nonpolar) fluids, the statistical mechanical approach is used to extend the excluded volume concept to all other types of fluids. The (extended) excluded volume incorporates, in addition to common nonelectrostatic interactions defining the shape and size of the molecules, also the short-range part of the repulsive interactions between the embedded Coulombic sites. In this study we show that the extended excluded volume concept correctly predicts the behavior of the partial molar volume (PMV) at infinite dilution in different solvents and, particularly, differences between nonpolar and associating solvents. The concept is then applied to estimate the PMV of methanol in water. (en)
Title
  • Extended Excluded Volume: Its Origin and Consequences
  • Extended Excluded Volume: Its Origin and Consequences (en)
skos:prefLabel
  • Extended Excluded Volume: Its Origin and Consequences
  • Extended Excluded Volume: Its Origin and Consequences (en)
skos:notation
  • RIV/67985858:_____/13:00424672!RIV14-AV0-67985858
http://linked.open...avai/riv/aktivita
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  • I, P(IAA400720802)
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  • 1
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  • 74366
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  • RIV/67985858:_____/13:00424672
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  • excluded volume; partial molar volume; primitive models (en)
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  • US - Spojené státy americké
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  • [D02E16BFD605]
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  • Pure and Applied Chemistry
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  • 85
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  • Nezbeda, Ivo
  • Rouha, M.
http://linked.open...ain/vavai/riv/wos
  • 000313885300015
issn
  • 0033-4545
number of pages
http://bibframe.org/vocab/doi
  • 10.1351/PAC-CON-12-04-04
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