@article { ISI:000317352000009,
	title = {Hydrate phase equilibrium of ternary gas mixtures containing carbon dioxide, hydrogen and propane},
	journal = {Journal of Chemical Thermodynamics},
	volume = {61},
	year = {2013},
	month = {JUN},
	pages = {58-63},
	publisher = {ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD},
	address = {24-28 OVAL RD, LONDON NW1 7DX, ENGLAND},
	abstract = {<p>Hydrate phase equilibrium of the ternary guest mixtures containing carbon dioxide, hydrogen and propane at two different compositions were determined. Addition of mole composition of 2.5\% propane to the fuel gas (CO2 (40\%)/H-2 (60\%)) mixture reduces the hydrate formation conditions by 66\% at the temperature of 278.4 K. A Clausius-Clapeyron plot for the experimental results was plotted and from the slope, the enthalpy of hydrate dissociation was calculated. The enthalpy of dissociation of the mixed hydrate formed from a ternary gas mixture containing mole composition 38.1\% CO2, 59.4\% H-2 and 2.5\% C3H8 was found to be 110 kJ.mol(-1) and hence it was concluded that the mixed hydrate formed structure II (sII) hydrates. Whereas for the ternary gas mixture containing mole composition 80.0\% CO2, 18.8\% H-2, and 1.2\% C3H8, the enthalpy of dissociation of the mixed hydrate was found to be 78 kJ.mol(-1) and hence we believe the mixed hydrate formed structure I (sI) hydrate. (C) 2013 Elsevier Ltd. All rights reserved.</p>},
	keywords = {Carbon dioxide capture, Gas hydrates, Global warming, Phase equilibrium, Pre-combustion, Thermodynamics},
	issn = {0021-9614},
	doi = {10.1016/j.jct.2013.02.003},
	author = {Babu, Ponnivalavan and Yang, Ting and Veluswamy, Hari Prakash and Kumar, Rajnish and Linga, Praveen}
}
@article {47168,
	title = {Molecular dynamics study on growth of carbon dioxide and methane hydrate from a seed crystal},
	journal = {Chinese Journal of Chemical Engineering},
	volume = {27},
	year = {2019},
	month = {SEP},
	pages = {2074-2080},
	type = {Article},
	abstract = {<p>In the current work, molecular dynamics simulation is employed to understand the intrinsic growth of carbon dioxide and methane hydrate starting from a seed crystal of methane and carbon dioxide respectively. This comparison was carried out because it has relevance to the recovery of methane gas from natural gas hydrate reservoirs by simultaneously sequestering a greenhouse gas like CO2. The seed crystal of carbon dioxide and methane hydrate was allowed to grow from a super-saturated mixture of carbon dioxide or methane molecules in water respectively. Two different concentrations (1:6 and 1:8.5) of CO2/CH4 molecules per water molecule were chosen based on gas-water composition in hydrate phase. The molecular level growth as a function of time was investigated by all atomistic molecular dynamics simulation under suitable temperature and pressure range which was well above the hydrate stability zone to ensure significantly faster growth kinetics. The concentration of CO2 molecules in water played a significant role in growth kinetics, and it was observed that maximizing the CO2 concentration in the aqueous phase may not result in faster growth of CO2 hydrate. On the contrary, methane hydrate growth was independent of methane molecule concentration in the aqueous phase. We have validated our results by performing experimental work on carbon dioxide hydrate where it was seen that under conditions appropriate for liquid CO2, the growth for carbon dioxide hydrate was very slow in the beginning. (C) 2019 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co., Ltd. All rights reserved.</p>
},
	keywords = {Cage dynamics, CH4 recovery, CO2 sequestration, F-4 order parameter, kinetics, Natural gas hydrate, Thermodynamics},
	issn = {1004-9541},
	doi = {10.1016/j.cjche.2019.02.006},
	author = {Nakate, Prajakta and Ghosh, Bappa and Das, Subhadip and Roy, Sudip and Kumar, Rajnish}
}
