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

J. Perez-Carbajo, P. Gómez-Álvarez, R. Bueno-Perez, P.J. Merkling, Sofia Calero

Research output: Contribution to journalArticleAcademicpeer-review

9 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)5678-5688
Number of pages11
JournalPhysical Chemistry Chemical Physics
Issue number12
Publication statusPublished - 28 Mar 2014
Externally publishedYes


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