| Revista: | Brazilian journal of chemical engineering |
| Base de datos: | PERIÓDICA |
| Número de sistema: | 000308803 |
| ISSN: | 0104-6632 |
| Autores: | Cabral, V.F1 Pinto, R.R.C2 Tavares, F.W Castier, M |
| Instituciones: | 1Universidade Federal do Rio de Janeiro, Escola de Quimica, Rio de Janeiro. Brasil 2Petroleo Brasileiro S.A., Centro de Pesquisas e Desenvolvimento Leopoldo Americo M. de Mello, Rio de Janeiro. Brasil |
| Año: | 2001 |
| Periodo: | Jun |
| Volumen: | 18 |
| Número: | 2 |
| Paginación: | 149-161 |
| País: | Brasil |
| Idioma: | Inglés |
| Tipo de documento: | Artículo |
| Enfoque: | Experimental, aplicado |
| Resumen en inglés | Molecular simulation data were used to study the performance of equations of state (EoS) and combining rules usually employed in thermodynamic property calculations. The Monte Carlo method and the Gibbs ensemble technique were used for determining composition and densities of vapor and liquid phases in equilibrium for binary mixtures of Lennard-Jones fluids. Simulation results are compared to data in the literature and to those calculated by the t-PR-LJ EoS. The use of adequate combining rules has been shown to be very important for the satisfactory representation of molecular simulation data |
| Disciplinas: | Química |
| Palabras clave: | Fisicoquímica y química teórica, Equilibrio vapor-líquido, Propiedades de exceso, Reglas de combinación, Ecuaciones de estado, Simulación molecular |
| Keyword: | Chemistry, Physical and theoretical chemistry, Vapor-liquid equilibrium, Excess properties, Combining rules, Equations of state, Molecular simulation |
| Texto completo: | Texto completo (Ver HTML) |
