Journal of Chemical Physics, Vol.105, No.10, 4223-4233, 1996
2nd Virial-Coefficients, Critical-Temperatures, and the Molecular Shapes of Long N-Alkanes
The second virial coefficient for a molecular model of iz-alkanes with up to 200 carbon atoms has been computed for temperatures in the range of 1000 K
Keywords:INTERACTING POLYMER-CHAINS;VAPOR-LIQUID-EQUILIBRIA;MONTE-CARLO;PHASE-EQUILIBRIA;POTENTIAL PARAMETERS;CRITICAL CONSTANTS;COMPUTER-SIMULATIONS;PERTURBATION-THEORY;EXCLUDED VOLUME;FLUIDS