Synchronous vs. asynchronous dynamics of diffusion-controlled reactions

被引:12
作者
Abad, E
Nicolis, G
Bentz, JL
Kozak, JJ
机构
[1] Free Univ Brussels, Ctr Nonlinear Phenomena & Complex Syst, B-1050 Brussels, Belgium
[2] Iowa State Univ Sci & Technol, Dept Chem, Ames, IA 50011 USA
关键词
diffusion-controlled reactions; lattice walks; ruin and first-passage problems;
D O I
10.1016/S0378-4371(03)00272-3
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
An analytical method based on the classical ruin problem is developed to compute the mean reaction time between two walkers undergoing a generalized random walk on a 1d lattice. At each time step, either both walkers diffuse simultaneously with probability p (synchronous event) or one of them diffuses while the other remains immobile with complementary probability (asynchronous event). Reaction takes place through same site occupation or position exchange. We study the influence of the degree of synchronicity p of the walkers and the lattice size N on the global reaction's efficiency. For odd N, the purely synchronous case (p = 1) is always the most effective one, while for even N, the encounter time is minimized by a combination of synchronous and asynchronous events. This new parity effect is fully confirmed by Monte Carlo simulations on 1d lattices as well as for 2d and 3d lattices. In contrast, the 1d continuum approximation valid for sufficiently large lattices predicts a monotonic increase of the efficiency as a function of p. The relevance of the model for several research areas is briefly discussed. (C) 2003 Elsevier B.V. All rights reserved.
引用
收藏
页码:69 / 87
页数:19
相关论文
共 31 条
[1]  
Albano EV, 1996, HETEROGEN CHEM REV, V3, P389, DOI 10.1002/(SICI)1234-985X(199612)3:4<389::AID-HCR68>3.0.CO
[2]  
2-2
[3]  
[Anonymous], 1972, THEORY STOCHASTIC PR
[4]  
[Anonymous], 1968, An introduction to probability theory and its applications
[5]   Resonant diffusion in a linear network of fluctuating obstacles [J].
Benichou, O ;
Gaveau, B ;
Moreau, M .
PHYSICAL REVIEW E, 1999, 59 (01) :103-116
[6]   Efficiency of encounter-controlled reaction between diffusing reactants in a finite lattice: topology and boundary effects [J].
Bentz, JL ;
Kozak, JJ ;
Abad, E ;
Nicolis, G .
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS, 2003, 326 (1-2) :55-68
[7]  
DICKMAN R, 1997, NONEQUILIBRIUM STAT, P46141
[8]   ENHANCED SAMPLING IN MOLECULAR-DYNAMICS - USE OF THE TIME-DEPENDENT HARTREE APPROXIMATION FOR A SIMULATION OF CARBON-MONOXIDE DIFFUSION THROUGH MYOGLOBIN [J].
ELBER, R ;
KARPLUS, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (25) :9161-9175
[9]  
FAUMAN EB, 1989, COMMENTS MOL CELL BI, V6, P47
[10]   THE REUNIONS OF 3 DISSIMILAR VICIOUS WALKERS [J].
FISHER, ME ;
GELFAND, MP .
JOURNAL OF STATISTICAL PHYSICS, 1988, 53 (1-2) :175-189