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Reactions in the liquid phase
Author(s) -
Hall G. G.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560240847
Subject(s) - smoluchowski coagulation equation , master equation , liquid phase , phase (matter) , constant (computer programming) , set (abstract data type) , statistical physics , energy (signal processing) , reaction rate constant , surface (topology) , classical mechanics , physics , thermodynamics , mathematics , quantum mechanics , computer science , kinetics , geometry , programming language , quantum
It is argued that a generalized Smoluchowski equation should be used to describe reactions in the liquid phase. The nature of the solutions to this equation is discussed. The reaction energy surface is partitioned into regions, defining the various species present, and solutions for each region are described. A set of master equations is used to calculate the rate constant. Application is made to a model situation where two structureless molecules react.