Random dimer filling of lattices: Three-dimensional application to free radical recombination kinetics

Journal Article · Thu Jan 31 23:00:00 EST 1985 · J. Stat. Phys.; (United States)

DOI:https://doi.org/10.1007/BF01010485· OSTI ID:5816865

Evans, J W; Nord, R S

The recombination of nearest neighbors in a condensed matrix of free radicals was modeled by Jackson and Montroll as irreversible, sequential, random dimer filling of nearest-neighbor sites on an infinite, three-dimensional lattice. Here we analyze the master equations for random dimer filling recast as an infinite hierarchy of rate equations for subconfiguration probabilities using techniques involving truncation, formal density expansions (coupled with resummation), and spectral theory. A detailed analysis for the cubic lattice case produces, e.g., estimates for the fraction of isolated empty sites (i.e., free radicals) at saturation. We also consider the effect of a stochastically specified distribution of nonadsorptive sites (i.e., inert dilutents).

• Research Organization: Ames Laboratory and Department of Chemistry, Iowa State University, Ames, Iowa 50011
• DOE Contract Number: W-7405-ENG-82
• OSTI ID: 5816865
• Journal Information: J. Stat. Phys.; (United States), Journal Name: J. Stat. Phys.; (United States) Vol. 38:2; ISSN JSTPB
• Country of Publication: United States
• Language: English

Related Subjects

657006* -- Theoretical Physics-- Statistical Physics & Thermodynamics-- (-1987)
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
DIMERS
IRREVERSIBLE PROCESSES
RADICALS
RECOMBINATION
SATURATION
STOCHASTIC PROCESSES
THREE-DIMENSIONAL CALCULATIONS