title: Brownian aggregation rate of colloid particles with several active sites.
abstract: We theoretically analyze the aggregation kinetics of colloid particles with several active sites. Such particles (so-called "patchy particles") are well known as chemically anisotropic reactants, but the corresponding rate constant of their aggregation has not yet been established in a convenient analytical form. Using kinematic approximation for the diffusion problem, we derived an analytical formula for the diffusion-controlled reaction rate constant between two colloid particles (or clusters) with several small active sites under the following assumptions: the relative translational motion is Brownian diffusion, and the isotropic stochastic reorientation of each particle is Markovian and arbitrarily correlated. This formula was shown to produce accurate results in comparison with more sophisticated approaches. Also, to account for the case of a low number of active sites per particle we used Monte Carlo stochastic algorithm based on Gillespie method. Simulations showed that such discrete model is required when this number is less than 10. Finally, we applied the developed approach to the simulation of immunoagglutination, assuming that the formed clusters have fractal structure.
authors.affiliation: Institute of Chemical Kinetics and Combustion, Institutskaya 3, 630090 Novosibirsk, Russia.
authors.forename: Vyacheslav M
authors.initials: VM
authors.lastname: Nekrasov
authors.affiliation: Institute of Chemical Kinetics and Combustion, Institutskaya 3, 630090 Novosibirsk, Russia.
authors.forename: Alexey A
authors.initials: AA
authors.lastname: Polshchitsin
authors.affiliation: Institute of Chemical Kinetics and Combustion, Institutskaya 3, 630090 Novosibirsk, Russia.
authors.forename: Maxim A
authors.initials: MA
authors.lastname: Yurkin
authors.affiliation: JSC "VECTOR-BEST", PO BOX 492, Novosibirsk 630117 Russia.
authors.forename: Galina E
authors.initials: GE
authors.lastname: Yakovleva
authors.affiliation: Institute of Chemical Kinetics and Combustion, Institutskaya 3, 630090 Novosibirsk, Russia.
authors.forename: Valeri P
authors.initials: VP
authors.lastname: Maltsev
authors.affiliation: Institute of Chemical Kinetics and Combustion, Institutskaya 3, 630090 Novosibirsk, Russia.
authors.forename: Andrei V
authors.initials: AV
authors.lastname: Chernyshev
mesh_terms: D000465:Algorithms; D016880:Anisotropy; D020134:Catalytic Domain; D003102:Colloids / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D009010:Monte Carlo Method; D010316:Particle Size; D013499:Surface Properties
chemical_list: D003102:Colloids