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