Exploring the possibility to store the mixed oxygen-hydrogen cluster in clathrate hydrate in molar ratio 1:2 (O2+2H2).
An interesting possibility is explored: storing the mixture of oxygen and hydrogen in clathrate hydrate in molar ratio 1:2. The interaction energies between oxygen, hydrogen, and clathrate hydrate are calculated using high level quantum chemical methods. The useful conclusion points from this study are summarized as follows. (1) The interaction energies of oxygen-hydrogen mixed cluster are larger than the energies of pure hydrogen molecular cluster. (2) The affinity of oxygen molecules with water molecules is larger than that of the hydrogen molecules with water molecules. (3) The dimension of O2-2H2interaction structure is smaller than the dimension of CO2-2H2interaction structure. (4) The escaping energy of oxygen molecules from the hydrate cell is larger than that of the hydrogen molecules. (5) The high affinity of the oxygen molecules with both the water molecules and the hydrogen molecules may promote the stability of oxygen-hydrogen mixture in the clathrate hydrate. Therefore it is possible to store the mixed (O2+2H2) cluster in clathrate hydrate.
National Engineering Research Center for Non-Food Biorefinery, State Key Laboratory of Bioenergy Enzyme Technology, Guangxi Academy of Sciences, Nanning, Guangxi 530007, China.
Yan
Y
Qin
National Engineering Research Center for Non-Food Biorefinery, State Key Laboratory of Bioenergy Enzyme Technology, Guangxi Academy of Sciences, Nanning, Guangxi 530007, China; Gordon Life Science Institute, 53 South Cottage Road, Belmont, MA 02478, USA. Electronic address: duqishi@foxmail.com.
Qi-Shi
QS
Du
National Engineering Research Center for Non-Food Biorefinery, State Key Laboratory of Bioenergy Enzyme Technology, Guangxi Academy of Sciences, Nanning, Guangxi 530007, China.
Neng-Zhong
NZ
Xie
National Engineering Research Center for Non-Food Biorefinery, State Key Laboratory of Bioenergy Enzyme Technology, Guangxi Academy of Sciences, Nanning, Guangxi 530007, China.
Jian-Xiu
JX
Li
National Engineering Research Center for Non-Food Biorefinery, State Key Laboratory of Bioenergy Enzyme Technology, Guangxi Academy of Sciences, Nanning, Guangxi 530007, China.
Ri-Bo
RB
Huang
D006859:Hydrogen / Q000737:chemistry*; D008958:Models, Molecular; D010100:Oxygen / Q000737:chemistry*; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*
C102851:oxygen clathrate hydrate; D014867:Water; D006859:Hydrogen; D010100:Oxygen
Clathrate hydrate; Escaping energy; Gas-hydrate stability; Hydrogen storage; O(2)-2H(2) mixed storage