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The potential distribution theorem and models of molecular solutions / Thomas L. Beck, Michael E. Paulaitis, Lawrence R. Pratt.

By: Beck, Thomas L Material type: Text

TextPublication details: Cambridge: New York : Cambridge University Press, 2006Description: xiii, 230 p. 26 cmISBN: 0521822157 (hbk.)Subject(s): Molecular theory | Molecular theoryDDC classification: 541.22

Contents:

Introduction Molecules in solution Looking forward Notation and the theory of molecular liquids Statistical thermodynamic necessities The free energy and chemical potentials Potential distribution theorem Derivation of the potential distribution theorem Weak field limit Potential distribution theorem view of averages Ensemble dependence Inhomogeneous systems Reduced distribution functions Activity coefficients and solution standard states Quantum mechanical ingredients and generalizations Models Van der Waals model of dense liquids Dielectric solvation - Bom - models Excluded volume interactions and packing in liquids Flory-Huggins model of p' ilymer mixtures Electrolyte solutions and the Debye-Hiickel theory Clustering in dilute solutions and Pitzer models Generalities Reference systems and umbrella sampling Overlap methods Perturbation theory Thermodynamic integration Bias Stratification Statistical tentacles The MM and KS expansions Density functional and classic integral equation theories Kirkwood-Buff theory Quasi-chemical theory Derivation of the basic quasi-chemical formula Clustering in more detail An example of a primitive quasi-chemical treatment: Be-'*'(aq) Analysis of cib initio molecular dynamics Packing in classical liquids Self-consistent molecular field for packing Historical quasi-chemical calculation Explicit-implicit solvent models Developed examples Polymers Primitive hydrophobic effects Primitive hydrophilic phenomena: ion hydration

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Holdings
Item type	Current library	Call number	Status	Date due	Barcode	Item holds
General Books	Central Library, Sikkim University	541.22 BEC/P (Browse shelf(Opens below))	Available		44775

Total holds: 0

Introduction
Molecules in solution
Looking forward
Notation and the theory of molecular liquids
Statistical thermodynamic necessities
The free energy and chemical potentials
Potential distribution theorem
Derivation of the potential distribution theorem
Weak field limit
Potential distribution theorem view of averages
Ensemble dependence
Inhomogeneous systems
Reduced distribution functions
Activity coefficients and solution standard states
Quantum mechanical ingredients and generalizations
Models
Van der Waals model of dense liquids
Dielectric solvation - Bom - models
Excluded volume interactions and packing in liquids
Flory-Huggins model of p' ilymer mixtures
Electrolyte solutions and the Debye-Hiickel theory
Clustering in dilute solutions and Pitzer models
Generalities
Reference systems and umbrella sampling
Overlap methods
Perturbation theory
Thermodynamic integration
Bias
Stratification
Statistical tentacles
The MM and KS expansions
Density functional and classic integral equation theories
Kirkwood-Buff theory
Quasi-chemical theory
Derivation of the basic quasi-chemical formula
Clustering in more detail
An example of a primitive quasi-chemical treatment: Be-'*'(aq)
Analysis of cib initio molecular dynamics
Packing in classical liquids
Self-consistent molecular field for packing
Historical quasi-chemical calculation
Explicit-implicit solvent models
Developed examples
Polymers
Primitive hydrophobic effects
Primitive hydrophilic phenomena: ion hydration

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