TPT coefficients for cylindrical and spherocylindrical molecules
Autor
Souza, Nathan Barros de
Lopes, Joyce Tavares
Franco, Luís Fernando Mercier
Institución
Resumen
This data set comprises calculated values of the perturbed Helmholtz free energy coefficients, considering both cylinders and spherocylinders as the reference term and an attractive spherically symmetric square-well potential as the perturbed term. Also, in the case of spherocylinders, data for a Kihara potential are reported. All the calculations were performed with Monte Carlo simulations.