Random walks on finite lattices with traps. II. The case of a partially absorbing trap

Journal Article · Sun Feb 15 04:00:00 EST 1981 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.23.1713· OSTI ID:6656765

Hatlee, M D; Kozak, J J

We continue our study of dissipative processes involving both chemical reaction and physical diffusion in systems for which the influence of boundaries and system size on the dynamics cannot be neglected. We present a combined numerical (Monte Carlo) and analytical study of random walks on finite and infinite (i.e., periodic) lattices with a centrally located trap, and determine the extent to which the efficiency of trapping changes when this trap is characterized by an absorbance probability other than unity. Numerical results on the average number of steps required for trapping are presented for two- and three-dimensional lattices subject to confining, reflecting, and periodic boundary conditions and for three absorption probabilities: 1.0, 0.5, and 0.1. An expression is derived for calculating the average for an arbitrary absorption probability and it is shown that the predictions of the theory are in excellent accord with the results of our Monte Carlo simulations. The use of this expression allows a characterization of the degree of reversibility per reactive encounter.

• Research Organization: Department of Chemistry and Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556
• OSTI ID: 6656765
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 23:4; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

657006* -- Theoretical Physics-- Statistical Physics & Thermodynamics-- (-1987)
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
AMORPHOUS STATE
CRYSTAL DEFECTS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIMENSIONS
MONTE CARLO METHOD
PHONONS
QUASI PARTICLES
RANDOMNESS
TRAPS