New Software That Predicts Hydrate Properties and Its Use in Gas Hydrate Studies

Merey S., SINAYUÇ Ç.

JOURNAL OF CHEMICAL AND ENGINEERING DATA, vol.61, no.5, pp.1930-1951, 2016 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 61 Issue: 5
  • Publication Date: 2016
  • Doi Number: 10.1021/acs.jced.6b00146
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.1930-1951
  • Middle East Technical University Affiliated: Yes


Gas hydrates have become very popular recently especially as an energy source and a transportation medium. The estimations of hydrate properties such as hydrate equilibrium pressure, cage occupancy, density, mass, hydration number, and enthalpy of hydrate dissociation are quite important. In this study, several codes that are written using Matlab 2014a were explained. These codes, namely HEP.m, HEPComp.m, Sm.m, SmMix.m, and BSRm are used together for the determination of hydrate properties. HEP.m is used to estimate hydrate equilibrium properties and was integrated with HEPComp.m which calculates gas compositional change of feed gas during hydrate formation of gas mixtures, Sm.m and SmMix.m, which are used to determine the amount of gas and water needed to obtain target saturation in experimental studies of hydrate, formed in sediments inside high pressure reactors. Finally, BSRm code was written to predict gas composition near the line bottom simulating reflectance (BSR) in ocean sediments. BSR lines indicate the possible locations of gas hydrates in nature. To understand the reliability of the codes written in this study, they were tested and compared with experimental data, other software, and literature data. According to the results of comparison studies, very good results were obtained so the codes in this study are suggested to be used in gas hydrate studies.