Page 359 - Fundamentals of Gas Shale Reservoirs

REFERENCES 339
Menon PG. Adsorption at high pressures. Chem Rev 1968;68: dioxide at 298 K for activated carbon. Langmuir 2001a;17:
277–294. 5011–5020.
Moon C, Taylor PC, Rodger PM. Molecular dynamics study of gas Sweatman MB, Quirke N. Modelling gas adsorption in slit‐pores
hydrate formation. J Am Chem Soc 2003;125:4706–4707. using Monte Carlo simulation. Mol Simul 2001b;27:
Oostenbrink C, Villa A, Mark AE, van Gunsteren WF. A biomolec­ 295–321.
ular force field based on the free enthalpy of hydration and sol­ Tambach TJ, Mathews JP, van Bergen F. Molecular exchange
vation: the GROMOS force‐field parameter sets 53A5 and of CH4 and CO2 in coal: enhanced coalbed methane on a
53A6. J Comput Chem 2004;25:1656–1676. nanoscale. Energy Fuels 2009;23:4845–4847.
Ottiger S, Pini R, Storti G, Mazzotti M. Competitive adsorption Todd BD, Daivis PJ. The stability of non‐equilibrium molecular
equilibria of CO2 and CH4 on a dry coal. Adsorption 2008;14: dynamics simulations of elongational flows. J Chem Phys
539–556. 2000;112:40–46.
Ozawa S, Kusumi S, Ogino Y. Physical adsorption of gases at Tsai MC, Chen WN, Cen PL, Yang RT, Kornosky RM, Holcombe
high pressure. IV. An improvement of the Dubinin—Astakhov NT, Strakey JP. Adsorption of gas mixture on activated carbon.
adsorption equation. J Colloid Interface Sci 1976;56:83–91. Carbon 1985;23:167–173.
Parrinello M, Rahman A. Polymorphic transitions in single crys­ Wei YS, Sadus RJ. Equations of state for the calculation of fluid‐
tals: a new molecular dynamics method. J Appl Phys 1981;52: phase equilibria. AlChE J 2000;46:169–196.
7182–7190. Wender A, Barreau A, Lefebvre C, Di Lella A, Boutin A, Ungerer
Pusch R, Madsen FT. Aspects on the illitization of the Kinnekulle P, Fuchs AH. Adsorption of n‐alkanes in faujasite zeolites:
bentonites. Clays Clay Miner 1995;43:261–270. molecular simulation study and experimental measurements.
Rodger PM, Forester TR, Smith W. Simulations of the methane Adsorption 2007;13:439–451.
hydrate/methane gas interface near hydrate forming conditions. Weniger P, Kalkreuth W, Busch A, Krooss BM. High‐pressure
Fluid Phase Equilib 1996;116:326–332. methane and carbon dioxide sorption on coal and shale samples
Sadus RJ. Molecular Simulation of Liquids: Theory, Algorithms, from the Parana Basin, Brazil. Int J Coal Geol 2010;84:
and Object Orientation. Amsterdam: Elsevier; 1999. 190–205.
Schuttelkopf AW, van Aalten DMF. PRODRG: a tool for high‐ Wensink EWJ, Hoffmann AC, Apol MEF, Berendsen HJC.
throughput crystallography of protein‐ligand complexes. Acta Properties of adsorbed water layers and the effect of adsorbed
Crystallogr D 2004;60:1355–1363. layers on interparticle forces by liquid bridging. Langmuir
Siepmann JI, Frenkel D. Configurational bias Monte‐Carlo—a 2000;16:7392–7400.
new sampling scheme for flexible chains. Mol Phys 1992;75: Zhang JF, Todd BD. Pressure tensor and heat flux vector for inho­
59–70. mogeneous non‐equilibrium fluids under the influence of three‐
Sitprasert C, Zhu ZH, Wang FY, Rudolph V. A multi‐scale approach body forces. Phys Rev E 2004;69:31111–31122.
to the physical adsorption in slit pores. Chem Eng Sci 2011; Zhang JF, Hansen JS, Todd BD, Daivis PJ. Structural and dynam­
66:5447–5458. ical properties for confined polymers undergoing planar
Skipper NT, Chang FRC, Sposito G. Monte Carlo simulation of Poiseuille flow. J Chem Phys 2007;126 (1–14):144907.
interlayer molecular structure in swelling clay minerals. 1. Zhang JF, Hawtin RW, Yang Y, Nakagava E, Rivero M, Choi SK,
Methodology. Clays Clay Miner 1995a;43:285–293. Rodger PM. Molecular dynamics study of methane hydrate
Skipper NT, Sposito G, Chang FRC. Monte Carlo simulation of formation at a water/methane interface. J Phys Chem B 2008;
interlayer molecular structure in swelling clay minerals. 2. 112:10608–10618.
Monolayer hydrates. Clays Clay Miner 1995b;43:294–303. Zhang JF, Burke N, Yang YX. Molecular simulation of propane
Slatt MS, O’Brien NR. Pore types in the Barnett and Woodford gas adsorption in FAU zeolites. J Phys Chem C 2012;116:
shales: contribution to understanding gas storage and migration 9666–9674.
pathways in fine‐grained rocks. AAPG Bull 2011;95: Zhang J, Burke N, Zhang S, Liu K, Pervukhina M. Thermodynamic
2017–2030. analysis of molecular simulations of CO2 and CH4 adsorption
Spiro CL, Kosky PG. Space‐filling models for coal 2: extension to in FAU Zeolites. Chem Eng Sci 2014a;113:54–61.
coals of various ranks. Fuel 1982;61:1080–1084. Zhang J, Clennell MB, Dewhurst D, Liu K. Combined Monte Carlo
St George JD, Barakat MA. The change in effective stress associ­ and molecular dynamics simulation of methane adsorption on
ated with shrinkage from gas desorption in coal. Int J Coal Geol dry and moist coal. Fuel 2014b;122:186–197.
2001;45:105–113. Zou C, Dong D, Wang S. Geological characteristics and resource
Sweatman MB, Quirke N. Characterization of porous materials by potential of shale gas in China. Petrol Explor Develop 2010;37
gas adsorption: comparison of nitrogen at 77 K and carbon (6):641–653.