Huertas-Miranda J.A. – TechConnect Briefs

Monte Carlo Studies of the Effect of Temperature, Si/Al, and Metal Loading on the Templated Synthesis of Pt Nanowires in MOR-type Zeolites

Huertas-Miranda J.A., Martínez-Iñesta M.M., University of Puerto Rico, US

Previous molecular simulation studies in our group using Metropolis Monte Carlo (MMC) technique suggested that lower Si to Al ratios (Si/Al) favored energetically the positioning of Ni atoms inside the one-dimensional main pore channels of [...]

Molecular Simulation Studies for the Synthesis of Ni Nanowires in Zeolite Cancrinite

Huertas-Miranda J.A., Quiñones-Fontalvo L., Martínez-Iñesta M.M., University of Puerto Rico, US

Evaluation of the spatial distribution of Ni metal atoms inside CAN was done at two Si/ Al ratios and four Ni loadings. Using Sorption from Material Studio 4.0 (Accelrys, Inc.), Metropolis Monte Carlo simulations under [...]