| Molecular Simulation of First Order Perturbation Theory for the Long Range Triangular-Well Potential | ||
| Felix F. Betancourt-Cárdenas, Laboratorio deTermodinámica-SEPI, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico, Luis A. Galicia-Luna, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico and Stanley Sandler, University of Delaware, Department of Chemical Engineering, Newark, DE 19716 The triangular-well potential is a representation of the molecular interactions in nature. In this potential the interaction energy decreases as the distance between molecules increases, which is closer to reality than the square-well potential in which the interaction suddenly disappears at a specified distance. Barker and Henderson perturbation theory [1] can be used to calculate the thermodynamic properties for this fluid. Smith et al. [2] have reported some results for the first and second order terms for the triangular well fluid with a well range of twice the hard sphere diameter. In this work, the behavior of the perturbation terms has been evaluated using molecular simulation for well ranges from 1.5 to 4 times the hard sphere diameter. [1] J.A. Barker, D. Henderson, Rev. Mod. Phys. 48 (1976) 587-671. [2] W.R. Smith, D. Henderson, J.A. Barker, Can. J. Phys., 53 (1975) 5-12. Extended Abstract Status: Not Uploaded | ||