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Quantum logics and chemical kinetics
Authors:C.I. Ivanov
Affiliation:Bulgarian Academy of Sciences, Institute of Organic Chemistry, Laboratory of Quantum Chemistry, Sofia 1113, Bulgaria
Abstract:
A statistical theory of chemical kinetics is presented based on the quantum logical concept of chemical observables. The apparatus of Boolean algebra B is applied for the construction of appropriate composition polynomials referring to any stipulated arrangement of the atomic constituents. A physically motivated probability measure μ(F) is introduced on the field B of chemical observables, which considers the occurrence of the yes response of a given F ? B. The equations for the time evolution of the species density operators and the master equations for the corresponding number densities are derived. The general treatment is applied to a superposition of elementary substitution reactions (AB)α + C ? (AC)β + B. The expressions for the reaction rate coefficients are established.
Keywords:
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