Lukman Hakim, Takuma Yagasaki, Masakazu Matsumoto, Hideki Tanaka
Statistical mechanical and simulation studies have been reviewed for the filled ice Ic and ice II containing hydrogen molecules. The occupancy of hydrogen inside the voids of ice Ic and ice II is examined using a hybrid grandcanonical Monte Carlo simulation in wide ranges of pressure and temperature. A simple theoretical model provides a global phase diagram of two-component system in which the phase equilibria among various phases can be predicted. © 2014 Japan's high-pressure mechanics will allright received.
Department of Chemistry, Brawijaya University, Jl. Veteran, Malang, 65145, Indonesia; Department of Chemistry, Okayama University, 3-1-1 Tsushima-naka, Kita-ku, 700-8530, Okayama, Indonesia
