Simulation of Sorption Purification of Hydrocarbon Fuel from Sulfur Compounds with Transition-Metal Pivalates

A. O. Okhlobystin, A. S. Kamyshnikova, K. V. Oleinikova, K. P. Pashchenko, V. N. Storozhenko, M. A. Kiskin, N. T. Berberova,I. L. Eremenko

Theoretical Foundations of Chemical Engineering（2022）

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摘要

— Theoretical and experimental methods were used to model the adsorption desulfurization process of hydrocarbon fuels with the pivalates Zn(II), Co(II), Ni(II) deposited on silica gel of various porosities via ultrasonic action. The proposed adsorbents make it possible to reduce the content of toxic sulfur components to 4 ppm.

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关键词

adsorption desulfurization,low molecular weight thiols,hydrogen sulfide,transition-metal carboxylates,quantum chemical modeling,density functional theory

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