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On the importance of a precise crystal structure for simulating gas adsorption in nanoporous materials

Keith V Lawler1, Zeric Hulvey, Paul M Forster

  • 1Department of Chemistry, University of Nevada, Las Vegas, Las Vegas, NV 89154-4003, USA. Paul.Forster@unlv.edu.

Physical Chemistry Chemical Physics : PCCP
|July 3, 2015
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Adsorption is a process where molecules, known as the adsorbates, accumulate on a surface, which is referred to as the adsorbent or substrate. Occurring at the solid-gas interface, this phenomenon is crucial in various scientific and industrial contexts. The reverse of adsorption is desorption.Two types of adsorptions exist: physical (physisorption) and chemical (chemisorption). Physisorption involves gas molecules held to the solid's surface by relatively weak intermolecular van der Waals...
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