NEWS

Phase Diagrams of TIP4P/2005, SPC/E, and TIP5P Water at High Pressure new

Last update: August 9, 2018

Our paper has been published.    Yagasaki, T., Matsumoto, M. & Tanaka, H. Phase Diagrams of TIP4P/2005, SPC/E, and TIP5P Water at High Pressure. J. Phys. Chem. B 122, 7718-7725 (2018). https://pubs.acs.org/doi/10.1021/acs.jpcb.8b04441   Normal ice has a hexagonal crystal structure with low density and floats on liquid water. However, at high pressures above 2000 atmospheres, the crystal structure changes and its density is higher than liquid. Thus, when high pressure is ap ... [Detail]

Adsorption of Kinetic Hydrate Inhibitors on Growing Surfaces: A Molecular Dynamics Study

Last update: June 14, 2018

Our paper has been published.    Yagasaki, T.; Matsumoto, M.; Tanaka, H., Adsorption of Kinetic Hydrate Inhibitors on Growing Surfaces: A Molecular Dynamics Study. J. Phys. Chem. B 2018, 122, 3396-3406.    https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.7b10356     [Detail]

On the Thermodynamic Stability of Clathrate Hydrates VI: Complete Phase Diagram

Last update: May 28, 2018

Our paper has been published.    H. Tanaka, T. Yagasaki, and M. Matsumoto, J. Phys. Chem. B 122, 297 (2018).   A theoretical methodology for calculation of the thermodynamic stability of methane hydrate in temperature-pressure-composition space is presented in this paper.    http://pubs.acs.org/doi/abs/10.1021/acs.jpcb.7b10581     [Detail]

GenIce: Hydrogen-Disordered Ice Generator

Last update: May 28, 2018

Our paper has been published.    M. Matsumoto, T. Yagasaki, and H. Tanaka, J. Comput. Chem. 39, 61 (2018).   GenIce is a tool to generate structures of various ice and clathrate hydrates.   http://onlinelibrary.wiley.com/doi/10.1002/jcc.25077/full     [Detail]

Hypothetical ultralow-density ice polymorphs

Last update: March 1, 2018

Our paper has been published.    T. Matsui, M. Hirata, T. Yagasaki, M. Matsumoto, and H. Tanaka, J. Chem. Phys. 147, 091101 (2017).    Okayama University Press Release (Sep. 8, 2017) American Institute of Physics Press Release "Aeroices: Newly Discovered Ultralow-Density Ice" (Sep. 7, 2017) [Detail]

Phase Diagram of TIP4P/2005 Water at High Pressure

Last update: May 28, 2018

Our paper has been published in Langmuir.       Hirata, M; Yagasaki, T.; Matsumoto, M.; Tanaka, H. Phase Diagram of TIP4P/2005 Water at High Pressure. Langmuir DOI: 10.1021/acs.langmuir.7b01764 (2017).    [Detail]

Formation of Clathrate Hydrates of Water-Soluble Guest Molecules

Last update: May 28, 2018

Formation of Clathrate Hydrates of Water-Soluble Guest Molecules Our paper has been published in J. Phys. Chem. C.  Yagasaki, T.; Matsumoto, M.; Tanaka, H. Formation of Clathrate Hydrates of Water-Soluble Guest Molecules. J. Phys. Chem. C 120, 21512 (2016). [Detail]

Adsorption Mechanism of Inhibitor and Guest Molecules on the Surface of Gas Hydrates

Last update: June 21, 2016

Our paper has been published in the Journal of the American Chemical Society.   Yagasaki, T.; Matsumoto, M.; Tanaka, H. Adsorption Mechanism of Inhibitor and Guest Molecules on the Surface of Gas Hydrates. J. Am. Chem. Soc. 2015, 137 (37), 12079–12085.   Research Highlights (Okayama University, Dec. 2015)   [Detail]

Mechanism of Slow Crystal Growth of Tetrahydrofuran Clathrate Hydrate

Last update: March 15, 2016

Our paper has been published in the Journal of Physical Chemistry C.   Yagasaki, T.; Matsumoto, M.; Tanaka, H. Mechanism of Slow Crystal Growth of Tetrahydrofuran Clathrate Hydrate. J. Phys. Chem. C 2016, 200, 3305–3313. DOI: 10.1021/acs.jpcc.5b10293 [Detail]

Chiral Ordering in Supercooled Liquid Water and Amorphous Ice

Last update: May 28, 2018

Our paper has been published in Physical Review Letters.   Matsumoto, M.; Yagasaki, T.; Tanaka, H. Chiral Ordering in Supercooled Liquid Water and Amorphous Ice. Phys. Rev. Lett. 2015, 115 (19), 197801. DOI:10.1103/PhysRevE.91.016302   Research Highlights (Okayama University, Feb. 2016)   Water expands when it is cooled below 4ºC, and it keeps expanding even below the melting point.  This anomalous expansion accompanies the decrease of mobility, energy and entropy, ... [Detail]

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