Off-lattice Dynamic Monte Carlo simulations of aggregation in one dimension

Abstract

We present an approach to simulate aggregation and gelation based on the extension of the Dynamic Monte Carlo method for chemical reactions to off-lattice inhomogeneous systems. Diffusion is explicitly introduced into the Dynamic Monte Carlo method through the use of first collision time distributions. The resulting method is as fast as diffusion limited cluster aggregation simulations but is more precise, producing results in good agreement with expensive Brownian dynamics simulations. We present results for one-dimensional aggregation using both hard-sphere and continuous potentials. Extensions to more dimensions are discussed.