Selective paraffin removal from ethane/ethylene mixtures by adsorption into aluminum methylphosphonate-alpha: a molecular simulation study

Langmuir : the ACS Journal of Surfaces and Colloids
Maaike C Kroon, Lourdes F Vega

Abstract

Most adsorbent materials used for olefin/paraffin separation show preferential adsorption of the olefin. Recently, the material aluminum methylphosphonate polymorph alpha (AlMePO-alpha) was found to be able to selectively adsorb the paraffin instead of the olefin, from an ethyl chloride/vinyl chloride mixture (Herdes, C.; Valente, A.; Lin, Z.; Rocha, J.; Coutinho, J. A. P.; Medina, F.; Vega, L. F. Langmuir 2007, 23, 7299). However, several questions remain still open regarding the reasons for this selective paraffin adsorption, as well as the suitability of AlMePO-alpha as adsorbent for other olefin/paraffin separations. In this work, the adsorption of ethane/ethylene mixtures by AlMePO-alpha is investigated using grand canonical Monte Carlo simulations in order to determine the effect of molecular interactions, size, and shape on the selective adsorption. For this purpose three different force fields have been used for the fluids, investigating the effect of the molecular details of the fluid on the adsorption behavior. All three force fields gave the same qualitative behavior. It was found that AlMePO-alpha is also able to selectively adsorb the paraffin from ethane/ethylene mixtures. Moreover, ethane molecules arrange exactl...Continue Reading

References

Oct 30, 2004·The Journal of Chemical Physics·Daniel Duque, Lourdes F Vega
Jul 1, 2005·Langmuir : the ACS Journal of Surfaces and Colloids·Carlos A GrandeAlírio E Rodrigues
Mar 22, 2006·Langmuir : the ACS Journal of Surfaces and Colloids·Carmelo HerdesLourdes F Vega
Jun 14, 2006·Langmuir : the ACS Journal of Surfaces and Colloids·De-En JiangSheng Dai
Jun 7, 2005·Physical Chemistry Chemical Physics : PCCP·Christian SchumacherNigel A Seaton

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Citations

Jul 11, 2014·ACS Applied Materials & Interfaces·João PiresVipin K Saini
Jul 15, 2011·Chemistry : a European Journal·Johan van den BerghFreek Kapteijn
Dec 16, 2011·Langmuir : the ACS Journal of Surfaces and Colloids·Alberto G AlbesaAldo D Migone
Jun 28, 2013·Langmuir : the ACS Journal of Surfaces and Colloids·Ulrike BöhmeMartin Hartmann
Jul 10, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Andreas SchneemannShin-Ichiro Noro

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