Monte Carlo calculation of second and third virial coefficients of small-scale comb polymers on lattice.
This paper reports the first computational estimation of the comb polymers' third virial coefficients. The number of the chains in the comb polymers range from 5 to 11. An algorithm that counts the contributing terms of the third virial coefficients in an accelerated manner is presented along with its efficiency dependence on the polymers' size. In addition, the second virial coefficients are estimated for the comb polymers and compared to previously reported results.
Shida
Kazuhito
K
Tohoku University Biomedical Engineering Research Organization (TUBERO), Sendai 980-8575, Japan.
Kasuya
Atsuo
A
Ohno
Kaoru
K
Kawazoe
Yoshiyuki
Y
Nakamura
Yo
Y
D000465:Algorithms; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D015233:Models, Statistical; D008968:Molecular Conformation; D009010:Monte Carlo Method; D011108:Polymers / Q000737:chemistry*
D011108:Polymers