Equation oriented mixed micellization modeling based on asymmetric Margules-type formulations
| Autor: | Guillermo A. Durand, Erica Patricia Schulz |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Discrete mathematics
Otras Ciencias Químicas General Chemical Engineering Ciencias Químicas 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Computer Science Applications MARGULES FORMULATION MATHEMATICAL MODELING MIXED MICELLES 0210 nano-technology REGULAR SOLUTION THEORY CIENCIAS NATURALES Y EXACTAS Mathematics |
| Zdroj: | Computers & Chemical Engineering. 87:145-153 |
| ISSN: | 0098-1354 |
| DOI: | 10.1016/j.compchemeng.2015.12.026 |
| Popis: | The determination of the composition of mixed micellar systems is a major problem since only the composition ofthe total micellar solution is accessible to the experimenter. A new approach is introduced in the present work based on Equation Oriented Optimization and Margules asymmetric formulations whichisnot restricted to thenumber of components and guarantees the applicability ofthe Gibbs–Duhem relation. The method is validated through its application to systems from literature and the quality of the solutions is tested with already published data and by comparison with other approaches. We do also show how excess properties can be predicted and that the excess entropy is not zero as assumed by the original regular and sub-regular solution theories. Fil: Schulz, Erica Patricia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina Fil: Durand, Guillermo Andrés. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina |
| Databáze: | OpenAIRE |
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