Saman Alavi

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Saman Alavi Saman Alavi
Adjunct Professor


Phone
(613) 265-5335

Department of Chemistry and Biomolecular Sciences

Selected publications

  • S. A. Bagherzadeh, S. Alavi, J. A. Ripmeester, and P. Englezos (2015). Formation of Methane Nano-bubbles during Hydrate Decomposition and Their Effect on Hydrate Growth. Journal of Chemical Physics, 142, 214701.
  • S. A. Bagherzadeh, S. Alavi, J. A. Ripmeester, P. Englezos (2015). Why Ice-binding Type I Antifreeze Protein Acts as a Gas Hydrate Inhibitor. Physical Chemistry Chemical Physics, 17, 9984-9990.
  • H. Dureckova, T. K. Woo, S. Alavi, J. A. Ripmeester (2015). Molecular dynamics simulation of halogen bonding in Cl2, BrCl, and mixed Cl2/Br2 clathrate hydrates. Canadian Journal of Chemistry 93, 864-873.
  • S. Alavi, K. Shin, J. A. Ripmeester (2014). Molecular dynamics simulations of hydrogen bonding in clathrate hydrates with ammonia and methanol guest molecules. Journal of Chemical and Engineering Data, 60, 389-397.
  • G. McLaurin, K. Shin, S. Alavi, J. A. Ripmeester (2014). Antifreezes as catalysts of hydrate formation from ice. Angewandte Chemie International Edition 53, 10429-10433.
  • K. Shin, I. L. Moudrakovski, M. D. Davari, S. Alavi, C. I. Ratcliffe, J. A. Ripmeester (2014). Crystal engineering the clathrate hydrate lattice with NH4F. CrystEngComm 16, 7209-7217..
  • H. Mohammadimanesh, S. Tashakor, S. Alavi (2013). Diffusion of benzene through the beta zeolite phase. Microporous Mesoporous Materials 181, 29-37.
  • K. Shin, K. A. Udachin, I. L. Moudrakovski, D. M. Leek, S. Alavi, C. I. Ratcliffe, J. A. Ripmeester (2013). Methanol incorporation in clathrate hydrates: Implications for flow assurance and icy planetesimals. Proceedings of the National Academy of Sciences (USA) 110, 8437.
  • F. Takeuchi, M. Hiratsuka, R. Ohmura, S. Alavi, A. K. Sum, and K. Yasuoka (2013). Water proton configurations in structure I and II clathrate hydrates. Journal of Chemical Physics 138, 124504.
  • H. Mosaddeghi, S. Alavi, M. H. Kowsari, B. Najafi (2012). Simulations of nanoconfined water between parallel graphite plates. Journal of Chemical Physics 137, 184703.
  • K. Shin, R. Kumar, K. A. Udachin, S. Alavi, J. A. Ripmeester (2012). Ammonia clathrate hydrates – new solid phases for Titan, Enceladus, and other planetary systems. Proceedings of the National Academy of Sciences (USA) 109, 14785-14790.
  • S. Alavi, J. A. Ripmeester (2012). Effect of small cage guests on hydrogen bonding of THF in binary structure II clathrate hydrates. Journal of Chemical Physics 137, 054712.
  • M. Nohra, T. K. Woo, S. Alavi, J. A. Ripmeester (2012). Invited contribution: Molecular dynamics Gibbs energy calculations for CO2 capture and storage in structure I clathrate hydrates in the presence of SO2, CH4, N2, and H2S impurities, Journal of Chemical Thermodynamics 44, 5-12.
  • A. Maleki, S. Alavi, B. Najafi (2011). Molecular dynamics simulation study of adsorption and patterning of DNA bases on the Au(111) surface. Journal of Physical Chemistry C 115, 22484-22494.
  • S. Alavi, R. Ohmura, J. A. Ripmeester (2011). Ethanol–water hydrogen bonding in the structure I binary clathrate hydrate. Journal of Chemical Physics 134, 054702.
  • H. Mohammadimanesh, S. Alavi, T. K. Woo, B. Najafi (2011). Molecular dynamics simulation of 13C NMR lineshapes of linear molecules in structure I clathrate hydrate. Physical Chemistry Chemical Physics 13, 2367-2377.
  • R. Vaidhyanathan, S. S. Iremonger, G. K. H. Shimizu, P. Boyd, S. Alavi, T. K. Woo (2010). Direct observation and quantification of CO2 binding within amine-functionalized nanoporous solids. Science 330, 650.
  • S. Alavi, S. Takeya, R. Ohmura, T. K. Woo, and J. A. Ripmeester (2010). Guest-host hydrogen bonding and semiclathrate formation in binary ethanol, 1-propanol, and 2- propanol + methane structure II clathrate hydrates. Journal of Chemical Physics 133, 074505.
  • S. Alavi, J. A. Ripmeester (2010). Non-equilibrium adiabatic molecular dynamics simulations of methane hydrate decomposition. Journal of Chemical Physics, 132, 144703.
  • A. Sirjoosingh, S. Alavi, T. K. Woo (2010). Simulations of carbon dioxide and carbon monoxide adsorption in zeolitic imidazolate frameworks. Journal of Physical Chemistry C 114, 2171-2178.

Research interests

  • Molecular dynamics simulations of clathrate hydrates
  • Molecular dynamics and Monte Carlo simulations of gas uptake for clean energy applications
  • Simulations of water and other liquids in confined environments
  • Simulations of organic and biological substances on semiconductor and metal surfaces
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