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Molecular thermodynamics for chemical reaction design
Author(s) -
Eckert C. A.,
Hsieh C. K.,
McCabe J. R.
Publication year - 1974
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690200103
Subject(s) - chemical reaction , thermodynamics , chemical kinetics , transition state theory , chemical thermodynamics , chemistry , transition state , kinetics , chemical reaction engineering , reaction rate , computational chemistry , non equilibrium thermodynamics , organic chemistry , reaction rate constant , physics , catalysis , quantum mechanics
Various techniques of molecular thermodynamics and solution theory have been applied, through the transition state theory, to problems in chemical kinetics. These include experimental techniques for ascertaining the structure and properties of the transition states for various classes of reactions, plus analytical methods for using this information to predict the effect of solvents or reactant structure on chemical reaction rates. Such methods provide the chemical engineer with an additional parameter to use in the optimal design of reaction systems–that is, the chemistry of the reaction itself.