01987nas a2200265   4500008004100000022001400041245010200055210006900157260009000226300001000316490000700326520103300333653002701366653001701393653001901410653002201429653001901451653001901470100002301489700001501512700002901527700001901556700001901575856012701594       2013                        eng d  a0021-961400aHydrate phase equilibrium of ternary gas mixtures containing carbon dioxide, hydrogen and propane0 aHydrate phase equilibrium of ternary gas mixtures containing car  a24-28 OVAL RD, LONDON NW1 7DX, ENGLANDbACADEMIC PRESS LTD- ELSEVIER SCIENCE LTDcJUN  a58-630 v613 a<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>10aCarbon dioxide capture10aGas hydrates10aGlobal warming10aPhase equilibrium10aPre-combustion10aThermodynamics1 aBabu, Ponnivalavan1 aYang, Ting1 aVeluswamy, Hari, Prakash1 aKumar, Rajnish1 aLinga, Praveen  uhttps://library.ncl.res.in/content/hydrate-phase-equilibrium-ternary-gas-mixtures-containing-carbon-dioxide-hydrogen-and-002526nas a2200277   4500008004100000022001400041245009700055210006900152260000800221300001400229490000700243520165200250653001801902653001701920653002201937653002401959653001301983653002401996653001902020100002102039700001702060700001802077700001502095700001902110856011902129       2019                        eng d  a1004-954100aMolecular dynamics study on growth of carbon dioxide and methane hydrate from a seed crystal0 aMolecular dynamics study on growth of carbon dioxide and methane  cSEP  a2074-20800 v273 a<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>
10aCage dynamics10aCH4 recovery10aCO2 sequestration10aF-4 order parameter10akinetics10aNatural gas hydrate10aThermodynamics1 aNakate, Prajakta1 aGhosh, Bappa1 aDas, Subhadip1 aRoy, Sudip1 aKumar, Rajnish  uhttps://library.ncl.res.in/content/molecular-dynamics-study-growth-carbon-dioxide-and-methane-hydrate-seed-crystal