A possible simplification of the Goss-modified Abraham solvation equation

•For air-organic solvent partitioning, using V is not needed in the Goss-modified solvation equation.•For water as one of the phases, leaving out V leads to only a small decrease in statistical quality.•The relatively large Gibbs energy for cavity formation possibly causes deviating behavior of wate...

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Published in:Chemosphere (Oxford) 2013-11, Vol.93 (9), p.1742-1746
Main Author: van Noort, Paul C.M.
Format: Article
Language:English
Subjects:
Applied sciences
Chemistry
descriptors
Deterioration
Environmental chemistry
equations
equilibrium
Exact sciences and technology
Gas-liquid interface and liquid-liquid interface
gas-phase
General and physical chemistry
Global environmental pollution
Hydrogen bonding
LFER
Mathematical analysis
Mathematics
Models, Chemical
organic compounds
partition-coefficients
Partitioning
Phase Transition
Pollution
Polymers
Simplification
solutes
Solutions
Solvation
Solvation. Solvent properties
Solvents
statistical analysis
Statistics
Surface physical chemistry
temperature
thermodynamics
water
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description •For air-organic solvent partitioning, using V is not needed in the Goss-modified solvation equation.•For water as one of the phases, leaving out V leads to only a small decrease in statistical quality.•The relatively large Gibbs energy for cavity formation possibly causes deviating behavior of water. Abraham solvation equations find widespread use in environmental chemistry and pharmaco-chemistry. Recently Goss proposed a modified Abraham solvation equation. For various partitioning processes, the present study investigates the consequences for the fit when the Abraham solvation parameter V is left out of this modified solvation equation. For air-organic solvent partition, the Abraham solvation parameter V can be omitted from the Goss-modified Abraham solvation equation without any loss of statistical quality. For air–water partitioning, organic biphasic system partitioning, as well as water-organic solvent partitioning, omitting the V parameter from the Goss-modified Abraham solvation equation leads to only a small deterioration of statistic quality.
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Abraham solvation equations find widespread use in environmental chemistry and pharmaco-chemistry. Recently Goss proposed a modified Abraham solvation equation. For various partitioning processes, the present study investigates the consequences for the fit when the Abraham solvation parameter V is left out of this modified solvation equation. For air-organic solvent partition, the Abraham solvation parameter V can be omitted from the Goss-modified Abraham solvation equation without any loss of statistical quality. 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subjects Applied sciences
Chemistry
descriptors
Deterioration
Environmental chemistry
equations
equilibrium
Exact sciences and technology
Gas-liquid interface and liquid-liquid interface
gas-phase
General and physical chemistry
Global environmental pollution
Hydrogen bonding
LFER
Mathematical analysis
Mathematics
Models, Chemical
organic compounds
partition-coefficients
Partitioning
Phase Transition
Pollution
Polymers
Simplification
solutes
Solutions
Solvation
Solvation. Solvent properties
Solvents
statistical analysis
Statistics
Surface physical chemistry
temperature
thermodynamics
water
title A possible simplification of the Goss-modified Abraham solvation equation
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