화학공학소재연구정보센터
Journal of Chemical Physics, Vol.117, No.21, 9942-9946, 2002
Monte Carlo calculation of second and third virial coefficients of linear and star polymers on lattice
An efficient algorithm for counting contributing terms in the calculation of second and third virial coefficients of the lattice polymer model was proposed. The algorithm was applied to linear and three-arm star polymers. The algorithm's efficiency was demonstrated, and the obtained results were compared to both experimental and computational results already reported. To the authors' best knowledge, the estimation of the third virial coefficient of the three-arm star polymer is the first reported.