화학공학소재연구정보센터
Journal of Colloid and Interface Science, Vol.277, No.2, 327-334, 2004
Reverse Monte Carlo modeling of the structure of colloidal aggregates
In this work we present results for the structure of aerogels coming from the diffusion-limited cluster aggregation simulation method. Pair distribution functions and structure factors, resulting from simulation, were considered as experimental input for reverse Monte Carlo modeling. The modeling yielded structural models with pair distribution functions and structure factors nearly identical to the results of the simulations. Particle configurations from both the simulations and reverse Monte Carlo modeling have been analyzed in terms of the distribution of the number of neighbors. It is suggested that the reverse Monte Carlo method, when applied to the structure factor, may be a suitable technique for the interpretation of experimental scattering data on colloidal aerogels. (C) 2004 Elsevier Inc. All rights reserved.