Publications

A full list of publications can be found in my Google Scholar page. 

(2012 to present)

• H. Kiyokawa, Y. Kondo, R. Koyama, N. Kurokawa, A. Hotta, S. Alavi, I. Ota, R. Ohmura (2022). Pinacol hydrate as a novel thermal energy storage medium for electric vehicles, Journal of Energy Storage 51, 104404.
• J. Kim, K. Shin, S. Alavi, J. A. Ripmeester (2022). Effect of Methanol Guests on Thermal Properties of NH₄F-Doped THF Clathrate Hydrate. Energy & Fuels Article ASAP.
• J. A. Ripmeester, S. Alavi (Eds.) (2022). Clathrate Hydrates: Molecular Science and Characterization. Wiley-VCH, Weinheim, Germany.
• S. Muromachi, S. Takeya, S. Alavi, J. A. Ripmeester (2022). Structural CO₂ capture preference of semiclathrate hydrate formed with tetra-n-butylammonium chloride.  CrystEngComm 24, 4366-4371.
• J. A. Ripmeester, S. Alavi (2022). Comment on “Cage occupancy of methane clathrate hydrates in the ternary H₂O–NH₃–CH₄ system” by C. Petuya, M. Choukroun, T. H. Vu, A. Desmedt, A. G. Davies, and C. Sotin, Chem. Commun., 2020, 56, 12391. Chemical Communications 58, 4095-4098.
• H. Kiyokawa, M. Kodera, M. Lassiège, S. Alavi, R. Ohmura (2021). Measurement and analysis of interfacial tension of decane/water system pressurized with methane + ethane + propane gas mixture. Journal of Natural Gas Science and Engineering 96, 104333.
• J. Kim, B. Lee, K. Shin, S.-P. Kang, K. H. Park, M. Cha, S. Alavi, J.A. Ripmeester (2021). Incorporation of Ammonium Fluoride and Methanol in Carbon Dioxide Clathrate Hydrates and Their Significance for Hydrate-Based Gas Separation. Industrial and Engineering Chemistry Research  60, 11267-11276.
• B. Lee, J. Kim, K. Shin, K. H. Park, M. Cha, S. Alavi, J. A. Ripmeester (2021) Managing hydrogen bonding in the clathrate hydrate of 1-pentanol guest molecule. CrystEngComm 23, 4708-4716.
• S. Muromachi, H. Sharifi, S. Alavi, J. A. Ripmeester, P. Englezos (2021). Structural Characterization of Pyrrolidine–Including Structure II Clathrate Hydrates. Crystal Growth and Design 21, 2828-2836.
• M. Kodera, S. Takeya, M. Lassiège, R. Ohmura (2021). Characterization of clathrate hydrate formed in H₂ + CO₂ + tetrahydropyran + water system as carbon capture materials. Fuel 295, 120593.
• Z. Su, S. Alavi, J. A. Ripmeester, G. Wolosh, C. L. Dias (2021). Methane Clathrate Formation is Catalyzed and Kinetically Inhibited by the Same Molecule: Two Facets of Methanol. Journal of Physical Chemistry B 125, 4162-4168.
• R. Matsuura, S. Alavi, R. Ohmura (2021). Crystal Growth of Structure-H Hydrate with Water-Soluble Large Molecule Guest Compound: 1-Methylpiperidine as a Case Study. CrystalGrowth and Design 21, 1351-1357.
• Y. Kondo, S. Alavi, S. Takeya, R. Ohmura (2021). Characterization of the clathrate hydrate formed with fluoromethane and pinacolone: The thermodynamic stability and volumetric behavior of the structure H binary hydrates. Journal of Physical Chemistry B 125, 328-337.
• H. Kiyokawa, S. Horii, S. Alavi, R. Ohmura (2020). Improvement of continuous hydrate-based CO₂ separation by forming structure II hydrate in the system of H₂+CO₂+Tetrahydropyran (THP). Fuel 278, 118330.
• R. Matsuura, K. Ozawa, S. Alavi, R. Ohmura (2020). Crystal growth of clathrate hydrate with ozone: Implications on ozone preservation. ACS Sustainable Chemistry and Engineering 8, 15678-15684.
• P Naeiji, T. K. Woo, S. Alavi, R. Ohmura (2020). Molecular dynamics simulations of interfacial properties of the CO₂-water and CO₂-CH₄ water systems. Journal of Chemical Physics 153, 044701.
• S Alavi (2020). Molecular Simulations: Fundamentals and Practice. Wiley, Weinheim.
• R. Koyama, L. J. Chen, S. Alavi, R. Ohmura (2020). Improving thermal efficieny of hydrate-based heat engine generating renewable energy from low-grade heat sources using a crystal engineering approach. Energy 198, 117403.
• Y. Kondo, S. Alavi, K. Murayama, A. Ruiz, S. Takeya, R. Ohmura (2020). Effect of help-guest size and hydrogen bonding on the stability of N-methylpiperidine structure H clathrate hydrate. Journal of Physical Chemistry C 124, 5978-5986.
• T. Miyamoto, R. Koyama, N. Kurokawa, A. Hotta, S. Alavi, R. Ohmura (2020). Thermophysical property measurements of tetrabutylphosphonium oxalate (TBPOx) ionic semiclathrate hydrate as a medium for the thermal energy storage system. Frontiers in Chemistry 8, article 547.
• M. Kodera, K. Watanabe, M. Lassiége, S. Alavi, R. Ohmura (2020). Interfacial tension between decane saturated with methane and water from 283.2 K to 298.2 K under pressure upto 10 MPa. Journal of Industrial and Engineering Chemistry 81, 360-366.
• P Naeiji, TK Woo, S Alavi, JA Ripmeester (2019). Molecular dynamics simulation of clathrate hydrate anomalous preservation: The effect of coating clathrate hydrate phases. Journal of Physical Chemistry C 123, 28715-28725.
• R. Matsuura, S. Horii, S. Alavi, R. Ohmura (2019) Diversity in crystal growth and crystal morphology of structure-H hydrate. Crystal Growth and Design 19, 6398-6404.
• K. Nemoto, T. Ikeda, H. Mori, S. Alavi, S. Takeya, R. Ohmura (2019). Stability and characterization of the structure II binary clathrate hydrate of the refrigerant trans-1,3,3,3-tetrafluoropropene + methane. New Journal of Chemistry 43, 13068-13074.
• H Mosaddeghi, S Alavi, MH Kowsari, B Najafi, S Az’hari, Y Afshar (2019). Molecular dynamics simulations of nano-confined methanol and methanol-water mixtures between infinite graphite plates: Structure and dynamics. Journal of Chemical Physics 150, 144510.
• P Naeiji, TK Woo, S Alavi, F Varaminian, R Ohmura (2019). Interfacial properties of hydrocarbon/water systems predicted by molecular dynamic simulations. Journal of Chemical Physics 150, 114703.
• FJAL Cruz, S Alavi, JPB Mota (2019). Low-temperature Thermodynamic Study of the Metastable Empty Clathrate Hydrates using Molecular Simulations. ACS Earth and Space Chemistry 3, 789-799.
• Y Arai, S Takeya, S Alavi, Y Yamauchi, R Ohmura (2018). Effect of Nonspherical Encapsulated Guests on the Volumetric Behavior of Structure H Clathrate Hydrates. Journal of Physical Chemistry C 122, 27631-27639.
• S Takeya, S Alavi, S Hashimoto, K Yasuda, Y Yamauchi, R Ohmura (2018). Distortion of the Large Cages Encapsulating Cyclic Molecules and Empty Small Cages of Structure II Clathrate Hydrates. Journal of Physical Chemistry C 122, 18134-18141.
• Y Arai, Y Yamauchi, H Tokutomi, F Endo, A Hotta, S Alavi, R Ohmura. (2018) Thermophysical property measurements of tetrabutylphosphonium acetate (TBPAce) ionic semiclathrate hydrate as thermal energy storage medium for general air conditioning systems. International Journal of Refrigeration 88, 102-107.
• S Alavi, JA Ripmeester. (2017) Simulations of hydrogen gas in clathrate hydrates. Molecular Simulation 43, 808-820.
• HD Nagashima, S Alavi, R Ohmura. (2017) Preservation of carbon dioxide clathrate hydrate in the presence of fructose or glucose and absence of sugars under freezer conditions. Journal of Industrial and Engineering Chemistry 54, 332-340.
• H Mohammadi-Manesh, H Ghafari, S Alavi. (2017) Molecular Dynamics Study of Guest–Host Hydrogen Bonding in Ethylene Oxide, Trimethylene Oxide, and Formaldehyde Structure I Clathrate Hydrates. Journal of Physical Chemistry C 121, 8832-8840.
• E. Safaei, H. Bahrami, A. Wojtczak, S. Alavi, Z. Jagličić. (2017). Redox potential tuning by redox-inactive anions in copper (II) complexes of non-innocent o-aminophenol-based ligand containing benzoxazole: Learning from nature. Polyhedron 122, 219-227.
• H. Dureckova, T. K. Woo, S. Alavi (2017). FDHALO17: The anomalous Halogen Bonding Interactions between Chlorine and Bromine with Water in Clathrate Hydrates. Faraday Discussions 203, 61-77.
• E. Safaei, L. Hajikhanmirzaei, S. Alavi, Y.-I. Lee, A. Wojtczak, Z. Jagličić. (2016). Tetrabromocatecholato Mn(III) complexes of bis (phenol) diamine ligands as models for enzyme–substrate adducts of catechol dioxygenases. Polyhedron 118, 171-179.
• S. Alavi, R. Ohmura (2016). Understanding decomposition and encapsulation energies of structure I and II clathrate hydrates. Journal of Chemical Physics 145, 154708.
• S. Takeya, H. Fujihasa, H. Yamawaki, Y. Gotoh, R. Ohmura, S. Alavi, J. A. Ripmeester. Phase Transition of a Structure II Cubic Clathrate Hydrate to a Tetragonal Form (2016). Angewandte Chemie International Edition 128, 9433-9437.
• S. Muromachi, K. A. Udachin, S. Alavi, R. Ohmura, J. A. Ripmeester (2016). Selective occupancy of methane by cage symmetry in TBAB ionic clathrate hydrate. Chemical Communications. 52, 5621-5624.
• J. A. Ripmeester, S. Alavi (2016). Some current challenges in clathrate hydrate science: Nucleation, decomposition and the memory effect. Current Opinion in Solid State and Materials Science 20, 344-351.
• H. Dureckova, T. K. Woo, S. Alavi (2016). Molecular Simulations and Density Functional Theory Calculations of Bromine in Clathrate Hydrate Phases. Journal of Chemical Physics. 144, 044501.
• T. Narayanan, K. Imasato, S. Takeya, S. Alavi, R. Ohmura (2015). Structure and Guest Dynamics in Binary Clathrate Hydrates of Tetrahydropyran with Carbon Dioxide / Methane. Journal of Physical Chemistry C, 119, 25738-25746.
• T. Koburi, S. Muromachi, Y. Tatsuo, S. Takeya, Y. Yamamoto, S. Alavi, R. Ohmura (2015). Phase behavior and structural characterization of ionic clathrate hydrate formed with tetra-n-butylphosphonium hydroxide: discovery of primitive crystal structure. Crystal Growth & Design, 15, 3862-3867.
• 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.