An improved thermodiffusion model for ternary mixtures using Fujita's free volume theory

作者：Abbasi Alireza; Saghir M Ziad^*; Kawaji Masahiro

来源：Journal of Non-Equilibrium Thermodynamics, 2011, 36(3): 259-272.

DOI：10.1515/JNETDY.2011.016

Thermodiffusion along molecular diffusion is one of the major mechanisms of transport phenomena. They have an important role in displacement of hydrocarbon fluid components in an oil reservoir. Free volume controls the diffusivity of the molecule in diffusion-limited systems. It states that the transfer kinetics of molecules depends greatly on molecular size and shape as well as the concentration. A new proposed model based on Fujita-type model is used to predict the thermodiffusion coefficients in ternary mixtures such as n-dodecane (nC(12)), n-butane (nC(4)), methane (C(1)), n-dodecane (nC(12)), isobutylbenzene (IBB), tetrahydronaphtalene (THN) and n-octane (C(8)), n-decane (nC(10)), 1-methylnaphtalene (MN). The ratio of evaporation energy to activation energy required for estimating the thermodiffusion coefficients is calculated by the available free volume theory. In particular, the combination of available free volume theory and Shukla and Firoozabadi's model is applied to predict the thermodiffusion coefficient. The results show a good performance of the new approach in estimating the thermodiffusion coefficients.

• 出版日期2011-9