Determination of the chemical potentials of polymeric systems from Monte Carlo simulations Export

@article{kumar91, abstract = {We propose a new computer-simulation technique; based on the Widom test-particle method; to calculate the chemical potentials of components in a polymeric system. The technique is based on the insertion of test segments onto a polymer and is applicable for any chain length at gas and liquidlike densities. We perform sample calculations on homopolymers and show that the proposed technique allows for the enumeration of their thermodynamic behavior in the subcritical and supercritical temperature ranges.}, author = {Kumar, Sanat K. and Szleifer, Igal and Panagiotopoulos, Athanasios Z.}, citeulike-article-id = {4295112}, citeulike-linkout-0 = {http://dx.doi.org/10.1103/PhysRevLett.66.2935}, citeulike-linkout-1 = {http://link.aps.org/abstract/PRL/v66/i22/p2935_1}, citeulike-linkout-2 = {http://link.aps.org/pdf/PRL/v66/i22/p2935_1}, doi = {10.1103/PhysRevLett.66.2935}, journal = {Physical Review Letters}, keywords = {chemical, lattice, mc, polymer, potential}, month = {Jun}, number = {22}, pages = {2935--2938}, posted-at = {2009-04-09 17:33:19}, priority = {2}, publisher = {American Physical Society}, title = {Determination of the chemical potentials of polymeric systems from Monte Carlo simulations}, url = {http://dx.doi.org/10.1103/PhysRevLett.66.2935}, volume = {66}, year = {1991} }

TY - JOUR ID - kumar91 L3 - citeulike-article-id:4295112 N2 - We propose a new computer-simulation technique; based on the Widom test-particle method; to calculate the chemical potentials of components in a polymeric system. The technique is based on the insertion of test segments onto a polymer and is applicable for any chain length at gas and liquidlike densities. We perform sample calculations on homopolymers and show that the proposed technique allows for the enumeration of their thermodynamic behavior in the subcritical and supercritical temperature ranges. IS - 22 JF - Physical Review Letters EP - 2938 TI - Determination of the chemical potentials of polymeric systems from Monte Carlo simulations PB - American Physical Society VL - 66 SP - 2935 KW - chemical KW - lattice KW - mc KW - polymer KW - potential AU - Kumar, Sanat AU - Szleifer, Igal AU - Panagiotopoulos, Athanasios PY - 1991/Jun// UR - http://dx.doi.org/10.1103/PhysRevLett.66.2935 ER -