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Controlling guest conformation for efficient purification of butadiene.
- Source :
-
Science . 6/16/2017, Vol. 356 Issue 6343, p1193-1196. 4p. 1 Black and White Photograph, 4 Diagrams. - Publication Year :
- 2017
-
Abstract
- Conventional adsorbents preferentially adsorb the small, high-polarity, and unsaturated 1,3-butadiene molecule over the other C4 hydrocarbons from which it must be separated. We show from single-crystal x-ray diffraction and computational simulation that a hydrophilic metal-organic framework, [Zn2(btm)2], where H2btm is bis(5-methyl-1H-1,2,4-triazol-3-yl)methane, has quasi-discrete pores that can induce conformational changes in the flexible guest molecules, weakening 1,3-butadiene adsorption through a large bending energy penalty. In a breakthrough operation at ambient temperature and pressure, this guest conformation–controlling adsorbent eluted 1,3-butadiene first, then butane, butene, and isobutene. Thus, 1,3-butadiene can be efficiently purified (≥99.5%) while avoiding high-temperature conditions that can lead to its undesirable polymerization. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00368075
- Volume :
- 356
- Issue :
- 6343
- Database :
- Academic Search Index
- Journal :
- Science
- Publication Type :
- Academic Journal
- Accession number :
- 123652426
- Full Text :
- https://doi.org/10.1126/science.aam7232