S
Saman Alavi
Researcher at University of Ottawa
Publications - 186
Citations - 6726
Saman Alavi is an academic researcher from University of Ottawa. The author has contributed to research in topics: Clathrate hydrate & Hydrate. The author has an hindex of 40, co-authored 168 publications receiving 5611 citations. Previous affiliations of Saman Alavi include National Research Council & Oklahoma State University–Stillwater.
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Journal ArticleDOI
Direct Observation and Quantification of CO2 Binding Within an Amine-Functionalized Nanoporous Solid
Ramanathan Vaidhyanathan,Simon S. Iremonger,George K. H. Shimizu,Peter G. Boyd,Saman Alavi,Tom K. Woo +5 more
TL;DR: Crystallographic resolution of bound carbon dioxide in a porous solid validates methods of theoretically predicting binding behavior and bodes well for the theory-aided development of amine-based CO2 sorbents.
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Water proton configurations in structures I, II, and H clathrate hydrate unit cells.
TL;DR: A determination of the water proton coordinates in unit cell of structure I (sI), II (sII), and H (sH) clathrate hydrates that satisfy the ice rules, have the lowest potential energy configuration for the protons, and give a net zero dipole moment is reported.
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Molecular dynamics simulation of imidazolium-based ionic liquids. I. Dynamics and diffusion coefficient
TL;DR: Both methods can show good agreement with experiment in predicting relative trends in the diffusion coefficients and determining the role of the cation and anion structures on the dynamical behavior of this family of ionic liquids.
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Molecular dynamics simulations of the melting of aluminum nanoparticles.
Saman Alavi,Donald L. Thompson +1 more
TL;DR: Molecular dynamics simulations are performed to determine the melting points of aluminum nanoparticles of 55-1000 atoms with the Streitz-Mintmire variable-charge electrostatic plus potential and the variation of the melting point with the effective nanoparticle radius is determined.
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Molecular-dynamics study of structure II hydrogen clathrates.
TL;DR: Molecular-dynamics simulations are used to study the stability of structure II hydrogen clathrates with different H2 guest occupancies and show that at 100 K and 2.5 kbars, the most stable configurations have single occupancy in the small cages and quadruple occupancy inThe large cages.