NEWS
On the Thermodynamic Stability of Clathrate Hydrates VI: Complete Phase Diagram
Last update: January 30, 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: January 30, 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: September 6, 2017
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: April 27, 2017
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: March 15, 2016
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]
Effects of Thermodynamic Inhibitors on the Dissociation of Methane Hydrate: a Molecular Dynamics Study.
Last update: June 21, 2016
Our paper has been published in Physical Chemistry Chemical Physics. Yagasaki, T.; Matsumoto, M.; Tanaka, H. Effects of Thermodynamic Inhibitors on the Dissociation of Methane Hydrate: a Molecular Dynamics Study. Phys. Chem. Chem. Phys. 2015, 17 (48), 32347–32357. DOI: 10.1039/C5CP03008K [Detail]
Thermodynamic Stability of Ice II and Its Hydrogen-Disordered Counterpart: Role of Zero-Point Energy
Last update: March 14, 2016
Our paper has been published in The Journal of Physical Chemistry B. Nakamura, T., Matsumoto, M., Yagasaki, T. & Tanaka, H. Thermodynamic Stability of Ice II and Its Hydrogen-Disordered Counterpart: Role of Zero-Point Energy. J. Phys. Chem. B, 2016, 120 (8), pp 1843–1848 DOI:10.1021/acs.jpcb.5b09544 There are more than 10 crystal polymorphs for ice. They are roughly divided into hydrogen-ordered and -disoirdered phases. In the hydrogen-ordered phase, direc ... [Detail]
