Issue 12, 2014

Optimisation of the Fischer–Tropsch process using zeolites for tail gas separation

Abstract

This work is aimed at optimizing a Fischer–Tropsch Gas To Liquid (GTL) process by recycling compounds of the expelled gas mixture using zeolites for the separation. To that end, we have performed a computational study on four structures widely used in industry. A range of Si/Al ratios have been explored and the effects of their distribution assessed. The ability of the considered force fields and molecular models to reproduce experimental results has been widely proved in previously reported studies. Since this tail gas is formed by a five-component mixture, namely carbon dioxide, methane, carbon monoxide, nitrogen and hydrogen, molecular simulations present clear advantages over experiments. In addition, the viability of the Ideal Adsorption Solution Theory (IAST) has been evaluated to easily handle further separation steps. On the basis of the obtained results, we provide a separation scheme to perform sequentially the separation of CO2, CH4, CO, N2 and H2.

Graphical abstract: Optimisation of the Fischer–Tropsch process using zeolites for tail gas separation

Supplementary files

Article information

Article type
Paper
Submitted
12 Dec 2013
Accepted
20 Jan 2014
First published
20 Jan 2014

Phys. Chem. Chem. Phys., 2014,16, 5678-5688

Optimisation of the Fischer–Tropsch process using zeolites for tail gas separation

J. Perez-Carbajo, P. Gómez-Álvarez, R. Bueno-Perez, P. J. Merkling and S. Calero, Phys. Chem. Chem. Phys., 2014, 16, 5678 DOI: 10.1039/C3CP55255A

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