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DOE OSTI · 2418555

Thermodynamic modeling of adsorption at the liquid-solid interface

Shukre, Rajasi·Bhaiya, Shikha·Hamid, Usman·Tun, Hla·Chen, Chau-Chyun
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Abstract

Adsorptive separation techniques are significantly energy efficient in comparison to conventional thermal separation techniques such as distillation. Despite extensive research and development activities undertaken for mixed-gas adsorption, the use of adsorption techniques for the separation of multicomponent liquid mixtures is still limited. A major barrier is the lack of accurate adsorption thermodynamic models, which form the scientific foundation of process simulation of such systems, making the translation to industrial scale challenging. In this work, we have rigorously computed the surface excess of adsorption for six binary liquid mixtures on silica gel at 303 K using the frameworks of the generalized Langmuir isotherm (gL) and the adsorbed solution theory (AST). The six binary liquid mixtures were formed by the pair-wise combinations of four components: benzene, 1,2-dichloroethane, cyclohexane, and n-heptane. We have based our calculations by considering simultaneous equilibria of three phases: saturated vapor phase, bulk liquid phase, and adsorbed phase. Further, the composition of the corresponding saturated vapor phase was estimated by the Nonrandom Two-Liquid activity coefficient model and experimental vapor-liquid equilibria data. The activity coefficients of the adsorbed phase, the central issue of multicomponent adsorption thermodynamics, were calculated using the adsorption Nonrandom Two-Liquid activity coefficient model. Devoid of simplifying assumptions, gL and AST provide rigorous thermodynamic frameworks for adsorption equilibria of multicomponent liquid mixtures.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRYAdsorption Nonrandom Two-Liquid TheoryGeneralized Langmuir isothermIdeal adsorbed solution theoryLiquid adsorptionMixed-gas adsorption

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Shukre, Rajasi, Bhaiya, Shikha, Hamid, Usman, Tun, Hla, Chen, Chau-Chyun. 2022-08-13. Thermodynamic modeling of adsorption at the liquid-solid interface. https://doi.org/10.1016/j.fluid.2022.113573

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