wrao96 / zeosim

Zeolite Mesopores Simualtion

zeosim

An Interactive Zeolite Mesopores Simulation written in pure Javascript. Support for both Java applet and HTML5 (mobile devices).

Uses the following Libraries/framework:

• JSmol
• JQuery
• Bootstrap

Copyright (c) 2016 and beyond, Farrukh Shahzad, PhD and Sohel Shaikh, PhD

##References:

JSmol: An open-source HTML5 viewer for chemical structures in 3D. http://wiki.jmol.org/index.php/JSmol

Li, K., Valla, J. and Garcia-Martinez, J. (2014), Realizing the Commercial Potential of Hierarchical Zeolites: New Opportunities in Catalytic Cracking. ChemCatChem, 6: 46–66. doi:10.1002/cctc.201300345

Moliner, M., Martínez, C. and Corma , A. (2015),Multipore Zeolites: Synthesis and Catalytic Applications. Angew. Chem. Int. Ed., 54: 3560–3579. doi:10.1002/anie.201406344

Baerlocher, C. and McCusker, L. Database of Zeolite Structures. http://www.iza-structure.org/databases/, 2016. Accessed on Jan 20, 2016. Framework Type MFI (Material: ZSM-5)

First, E. L., Gounaris, C. E., Wei, J., and Floudas, C. A. Computational characterization of zeolite porous networks: an automated approach. Physical Chemistry Chemical Physics, 13(38):17339–17358, 2011.

Shane P. Tully, Thomas M. Stitt, Robert D. Caldwell, Brian J. Hardock, Robert M. Hanson, and Przemyslaw Maslak: Interactive web-based pointillist visualization of hydrogenic orbitals using Jmol. Journal of Chemical Education 90, 129-131 (2013). doi:10.1021/ed300393s Article with complimentary full-text access.