Separation of hydrocarbon mixture of neopentane and n-hexane using NaY zeolite: Large distinct diffusivity

Nag, S and Subramanian, Y (2022) Separation of hydrocarbon mixture of neopentane and n-hexane using NaY zeolite: Large distinct diffusivity. In: Journal of Computational Chemistry .

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Abstract

A recently proposed method based on Levitation and Blow torch effects, is employed here to see if it can separate a mixture of neopentane and n-hexane. The results show that the mixture can be separated with a hot zone temperature of just 40 K above the ambient temperature, 300 K. The two components are found to accumulate at the two extreme ends of the zeolite column. The computed separation factor is in the range of 1015�1020 (as compared to 104 for existing separation methods). The energy expense for the separation is significantly smaller than for existing separation methods by several orders of magnitude. Transport (D11), self (Ds), and distinct diffusivities (Dd) of the mixture were computed. The contribution of distinct diffusivity to the transport diffusivity is 70 as compared to 10�30 seen in other separation methods and is larger by 2.3 times as compared to the self-diffusivity. © 2022 Wiley Periodicals LLC.

Item Type:	Journal Article
Publication:	Journal of Computational Chemistry
Publisher:	John Wiley and Sons Inc
Additional Information:	The copyright for this article belongs to John Wiley and Sons Inc
Keywords:	Binary alloys; Diffusion; Hexane; Intelligent systems; Mixtures; Separation; Sodium alloys; Zeolites, Distinct diffusivity; Hot zone; Hydrocarbons mixtures; Monte Carlo's simulation; Mutual diffusivity; N-Hexane; NaY zeolite; Neopentane; Self-diffusivity; Separation methods, Monte Carlo methods
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	18 Mar 2022 11:56
Last Modified:	18 Mar 2022 11:56
URI:	http://eprints.iisc.ac.in/id/eprint/71591

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