Similarity-Driven Discovery of Zeolite Materials for Adsorption-Based Separations

R. L. Martin, T. F. Willems, L.-C. Lin, J. Kim, J. A. Swisher, B. Smit, and M. Haranczyk, Similarity-Driven Discovery of Zeolite Materials for Adsorption-Based Separations, ChemPhysChem 13 (16), 3595 (2012)  http://dx.doi.org/10.1002/cphc.201200554

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Abstract: Crystalline porous materials can be exploited in many applications. Discovery of materials with optimum adsorption properties typically involves expensive brute-force characterization of large sets of materials. An alternative approach based on similarity searching that enables discovery of materials with optimum adsorption for CO2 and other molecules at a fraction of the cost of brute-force characterization is demonstrated.


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