[Kinetics of the order-disorder transition in the system of two interacting macromolecules (computer simulation)].
Kinetics of the model reaction between oligomeric planar lattice-model chains has been studied by Monte--Carlo method. Simulation of the chain's motion was performing using rules of Verdier--Stockmayer. The length of chains has been varied from 8 to 24 beads. The probabilities of breaking of a contact between two chains was given by w=exp(--U); the formation of an adjacent contact was controlled by mobility of chains. The probability of the formation of any isolated contact was given by w0=exp(--U0). Kinetic curves were obtained for mean number of contacts Z(t) with different initial conditions and U, U0 values. The estimation of mean rates of formation-breaking of contacts (V+ and V-) and their dependences on the time, U and U0 have been obtained. Rate constants for the formation-breaking of a contact (k+ and k-) were estimated as well as the distribution for k+/- over states of the binary complex. The calculations were made for the case of homopolymers, intrachain interactions were omitted.
D003201:Computers; D007700:Kinetics; D046911:Macromolecular Substances; D008433:Mathematics; D008968:Molecular Conformation
D046911:Macromolecular Substances
Kinetika perekhoda poriadok--besporiadok v sisteme dvukh vzaimodeístvuiushchikh makromolekul (imitatsiia na EVM).