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Volumn 61, Issue , 2013, Pages 624-632

Molecular simulation of the accumulation of alkanes from natural gas in carbonaceous materials

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC SIMULATIONS; CARBON BASED ADSORBENTS; CARBONACEOUS MATERIALS; EXPERIMENTAL DATUM; MOLECULAR SIMULATIONS; MONO-COMPONENT ISOTHERM; PREDICTIVE METHODS; STORAGE CAPACITY;

EID: 84879687689     PISSN: 00086223     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.carbon.2013.05.046     Document Type: Article
Times cited : (32)

References (47)
  • 2
    • 0031699329 scopus 로고    scopus 로고
    • Porous adsorbents for vehicular natural gas storage: A review
    • V.C. Menon, and S. Komarneni Porous adsorbents for vehicular natural gas storage: a review J Porous Mater 5 1998 43 58
    • (1998) J Porous Mater , vol.5 , pp. 43-58
    • Menon, V.C.1    Komarneni, S.2
  • 4
    • 0034895610 scopus 로고    scopus 로고
    • Characterization of adsorbent composite blocks for methane storage
    • S. Biloe, V. Goetz, and S. Mauran Characterization of adsorbent composite blocks for methane storage Carbon 39 2001 1653 1662
    • (2001) Carbon , vol.39 , pp. 1653-1662
    • Biloe, S.1    Goetz, V.2    Mauran, S.3
  • 6
    • 0030151701 scopus 로고    scopus 로고
    • Behaviour and performance of adsorptive natural gas storage cylinders during discharge
    • K.J. Chang, and O. Talu Behaviour and performance of adsorptive natural gas storage cylinders during discharge Appl Therm Eng 16 1996 359 374
    • (1996) Appl Therm Eng , vol.16 , pp. 359-374
    • Chang, K.J.1    Talu, O.2
  • 7
    • 79954435636 scopus 로고    scopus 로고
    • Thermal enhancement of charge and discharge cycles for adsorbed natural gas storage
    • K.A. Rahman, W.S. Loh, A. Chakraborty, B.B. Saha, W.G. Chun, and K.C. Ng Thermal enhancement of charge and discharge cycles for adsorbed natural gas storage Appl Therm Eng 31 2011 1630 1639
    • (2011) Appl Therm Eng , vol.31 , pp. 1630-1639
    • Rahman, K.A.1    Loh, W.S.2    Chakraborty, A.3    Saha, B.B.4    Chun, W.G.5    Ng, K.C.6
  • 9
    • 0032899940 scopus 로고    scopus 로고
    • Impact of gas composition on natural gas storage by adsorption
    • J.P.B. Mota Impact of gas composition on natural gas storage by adsorption AIChE J 45 1999 986 996
    • (1999) AIChE J , vol.45 , pp. 986-996
    • Mota, J.P.B.1
  • 10
    • 4744347645 scopus 로고    scopus 로고
    • Effect of cycling operations on an adsorbed natural gas storage chemical engineering and processing
    • O. Pupier, V. Goetz, and R. Fiscal Effect of cycling operations on an adsorbed natural gas storage chemical engineering and processing Chem Eng Process 44 2005 71 79
    • (2005) Chem Eng Process , vol.44 , pp. 71-79
    • Pupier, O.1    Goetz, V.2    Fiscal, R.3
  • 11
    • 33845340141 scopus 로고    scopus 로고
    • Natural gas storage cycles: Influence of nonisothermal effects and heavy alkanes
    • K.S. Walton, and M.D. LeVan Natural gas storage cycles: influence of nonisothermal effects and heavy alkanes Adsorption 12 2006 227 235
    • (2006) Adsorption , vol.12 , pp. 227-235
    • Walton, K.S.1    Levan, M.D.2
  • 12
    • 78449294022 scopus 로고    scopus 로고
    • Experimental analysis of the efficiency on charge/discharge cycles in natural gas storage by adsorption
    • R.B. Rios, M. Bastos-Neto, M.R. Amora, A.E.B. Torres, D.C.S. Azevedo, and C.L. Cavalcante Jr. Experimental analysis of the efficiency on charge/discharge cycles in natural gas storage by adsorption Fuel 90 2011 113 119
    • (2011) Fuel , vol.90 , pp. 113-119
    • Rios, R.B.1    Bastos-Neto, M.2    Amora, M.R.3    Torres, A.E.B.4    Azevedo, D.C.S.5    Cavalcante, Jr.C.L.6
  • 13
    • 0035828566 scopus 로고    scopus 로고
    • Adsorption from theory to practice
    • A. Dabrowski Adsorption from theory to practice Adv Colloid Interface Sci 93 2001 135 224
    • (2001) Adv Colloid Interface Sci , vol.93 , pp. 135-224
    • Dabrowski, A.1
  • 15
    • 71649112915 scopus 로고    scopus 로고
    • Natural gas treating by selective adsorption: Material science and chemical engineering interplay
    • M. Tagliabue, D. Farrusseng, S. Valencia, S. Aguado, U. Ravon, and C. Rizzo Natural gas treating by selective adsorption: material science and chemical engineering interplay Chem Eng J 155 2009 553 566
    • (2009) Chem Eng J , vol.155 , pp. 553-566
    • Tagliabue, M.1    Farrusseng, D.2    Valencia, S.3    Aguado, S.4    Ravon, U.5    Rizzo, C.6
  • 16
    • 0030414957 scopus 로고    scopus 로고
    • The interpretation of pore size distributions of microporous carbons
    • N. Quirke, and S.R.R. Tennison The interpretation of pore size distributions of microporous carbons Carbon 34 1996 1281 1286
    • (1996) Carbon , vol.34 , pp. 1281-1286
    • Quirke, N.1    Tennison, S.R.R.2
  • 17
    • 0031556163 scopus 로고    scopus 로고
    • Determination of the pore size distribution and network connectivity in microporous solids by adsorption measurements and Monte Carlo simulation
    • M.V. López-Ramón, J. Jagiello, T.J. Bandosz, and N.A. Seaton Determination of the pore size distribution and network connectivity in microporous solids by adsorption measurements and Monte Carlo simulation Langmuir 13 1997 4435 4445
    • (1997) Langmuir , vol.13 , pp. 4435-4445
    • López-Ramón, M.V.1    Jagiello, J.2    Bandosz, T.J.3    Seaton, N.A.4
  • 18
    • 0032661211 scopus 로고    scopus 로고
    • Development and validation of pore structure models for adsorption in activated carbons
    • G.M. Davies, and N.A. Seaton Development and validation of pore structure models for adsorption in activated carbons Langmuir 15 1999 6263 6276
    • (1999) Langmuir , vol.15 , pp. 6263-6276
    • Davies, G.M.1    Seaton, N.A.2
  • 19
    • 0000317463 scopus 로고    scopus 로고
    • Adsorption of carbon dioxide and methane and their mixtures on an activated carbon: Simulation and experiment
    • M. Heuchel, G.M. Davies, E. Buss, and N.A. Seaton Adsorption of carbon dioxide and methane and their mixtures on an activated carbon: simulation and experiment Langmuir 15 1999 8695 8705
    • (1999) Langmuir , vol.15 , pp. 8695-8705
    • Heuchel, M.1    Davies, G.M.2    Buss, E.3    Seaton, N.A.4
  • 21
    • 38349195594 scopus 로고    scopus 로고
    • Kinetic restriction of simple gases in porous carbons: Transition-state theory study
    • T.X. Nguyen, and S.K. Bhatia Kinetic restriction of simple gases in porous carbons: transition-state theory study Langmuir 24 2008 146 154
    • (2008) Langmuir , vol.24 , pp. 146-154
    • Nguyen, T.X.1    Bhatia, S.K.2
  • 23
    • 0026865669 scopus 로고
    • Storage of natural gas by adsorption on activated carbon
    • K.R. Matranga, A.L. Myers, and E.D. Glandt Storage of natural gas by adsorption on activated carbon Chem Eng Sci 47 1992 1569 1579
    • (1992) Chem Eng Sci , vol.47 , pp. 1569-1579
    • Matranga, K.R.1    Myers, A.L.2    Glandt, E.D.3
  • 24
    • 33644545430 scopus 로고    scopus 로고
    • Optimum conditions for adsorptive storage
    • S.K. Bhatia, and A.L. Myers Optimum conditions for adsorptive storage Langmuir 22 2006 1688 1700
    • (2006) Langmuir , vol.22 , pp. 1688-1700
    • Bhatia, S.K.1    Myers, A.L.2
  • 25
    • 84867233444 scopus 로고    scopus 로고
    • Pore wall thickness and interpore influence on adsorption of alkanes in carbons using explicit pore models
    • S.M.P. Lucena, V.D. Gonçalves, P.G.M. Mileo, and C.L. Cavalcante Jr. Pore wall thickness and interpore influence on adsorption of alkanes in carbons using explicit pore models Adsorption 18 2012 113 119
    • (2012) Adsorption , vol.18 , pp. 113-119
    • Lucena, S.M.P.1    Gonçalves, V.D.2    Mileo, P.G.M.3    Cavalcante, Jr.C.L.4
  • 26
    • 0032183909 scopus 로고    scopus 로고
    • Adsorption of binary hydrocarbon mixtures in carbon slit pores: A density functional theory study
    • S.K. Bhatia Adsorption of binary hydrocarbon mixtures in carbon slit pores: a density functional theory study Langmuir 14 1998 6231 6240
    • (1998) Langmuir , vol.14 , pp. 6231-6240
    • Bhatia, S.K.1
  • 27
    • 0001061046 scopus 로고    scopus 로고
    • Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes
    • M.G. Martin, and J.I. Siepmann Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes J Phys Chem B 102 1998 2569 2577
    • (1998) J Phys Chem B , vol.102 , pp. 2569-2577
    • Martin, M.G.1    Siepmann, J.I.2
  • 28
    • 77049091552 scopus 로고    scopus 로고
    • Molecular simulation of collection of methane isotherms in carbon material using all-atom and united atom models
    • S.M.P. Lucena, L.F.A. Frutuoso, P.F.G. Silvino, D.C.S. Azevedo, J.P. Toso, and G. Zgrablich Molecular simulation of collection of methane isotherms in carbon material using all-atom and united atom models Colloids Surf A 357 2010 53 60
    • (2010) Colloids Surf A , vol.357 , pp. 53-60
    • Lucena, S.M.P.1    Frutuoso, L.F.A.2    Silvino, P.F.G.3    Azevedo, D.C.S.4    Toso, J.P.5    Zgrablich, G.6
  • 29
    • 0347749643 scopus 로고    scopus 로고
    • Modeling gas adsorption in slit pores using Monte Carlo simulation
    • M.B. Sweatman, and N. Quirke Modeling gas adsorption in slit pores using Monte Carlo simulation Mol Simul 27 2001 295 321
    • (2001) Mol Simul , vol.27 , pp. 295-321
    • Sweatman, M.B.1    Quirke, N.2
  • 30
    • 13844289306 scopus 로고    scopus 로고
    • Adsorption of flexible n-alkane on graphitized thermal carbon black: Analysis of adsorption isotherm by means of GCMC simulation
    • D.D. Do, and H.D. Do Adsorption of flexible n-alkane on graphitized thermal carbon black: analysis of adsorption isotherm by means of GCMC simulation Chem Eng Sci 60 2005 1977 1986
    • (2005) Chem Eng Sci , vol.60 , pp. 1977-1986
    • Do, D.D.1    Do, H.D.2
  • 33
    • 0027810974 scopus 로고
    • Prediction of adsorption of aromatic hydrocarbons in silicalite from grand canonical Monte Carlo simulations with biased insertions
    • R.Q. Snurr, A.T. Bell, and D.N. Theodorou Prediction of adsorption of aromatic hydrocarbons in silicalite from grand canonical Monte Carlo simulations with biased insertions J Phys Chem 97 1993 13742 13752
    • (1993) J Phys Chem , vol.97 , pp. 13742-13752
    • Snurr, R.Q.1    Bell, A.T.2    Theodorou, D.N.3
  • 35
    • 77954384798 scopus 로고    scopus 로고
    • The effect of heterogeneity in the randomly etched graphite model for carbon pore size characterization
    • S.M.P. Lucena, C.A.S. Paiva, P.F.G. Silvino, D.C.S. Azevedo, and C.L. Cavalcante Jr. The effect of heterogeneity in the randomly etched graphite model for carbon pore size characterization Carbon 48 2010 2554 2565
    • (2010) Carbon , vol.48 , pp. 2554-2565
    • Lucena, S.M.P.1    Paiva, C.A.S.2    Silvino, P.F.G.3    Azevedo, D.C.S.4    Cavalcante, Jr.C.L.5
  • 36
    • 0000380042 scopus 로고    scopus 로고
    • A self-consistent method for characterization of activated carbons using supercritical adsorption and grand canonical Monte Carlo simulations
    • V.Y. Gusev, J.A. O'Brien, and N.A. Seaton A self-consistent method for characterization of activated carbons using supercritical adsorption and grand canonical Monte Carlo simulations Langmuir 13 1997 2815 2821
    • (1997) Langmuir , vol.13 , pp. 2815-2821
    • Gusev, V.Y.1    O'Brien, J.A.2    Seaton, N.A.3
  • 37
    • 34147099753 scopus 로고    scopus 로고
    • Heat of adsorption and density distribution in slit pore with walls: GCMC simulation studies and comparison with experimental data
    • D.D. Do, D. Nicholson, and H.D. Do Heat of adsorption and density distribution in slit pore with walls: GCMC simulation studies and comparison with experimental data Appl Surf Sci 253 2007 5580 5586
    • (2007) Appl Surf Sci , vol.253 , pp. 5580-5586
    • Do, D.D.1    Nicholson, D.2    Do, H.D.3
  • 39
    • 0027987576 scopus 로고
    • Pore size distribution of BPL activated carbon determined by different methods
    • B.P. Russell, and M.D. LeVan Pore size distribution of BPL activated carbon determined by different methods Carbon 32 1994 845 855
    • (1994) Carbon , vol.32 , pp. 845-855
    • Russell, B.P.1    Levan, M.D.2
  • 40
    • 0036354581 scopus 로고    scopus 로고
    • Modeling of gas adsorption equilibrium over a wide range of pressure: A thermodynamic approach based on equation of state
    • E.A. Ustinov, D.D. Do, A. Herbst, R. Staudt, and P. Harting Modeling of gas adsorption equilibrium over a wide range of pressure: a thermodynamic approach based on equation of state J Colloid Interface Sci 250 2002 49 62
    • (2002) J Colloid Interface Sci , vol.250 , pp. 49-62
    • Ustinov, E.A.1    Do, D.D.2    Herbst, A.3    Staudt, R.4    Harting, P.5
  • 41
    • 0030151701 scopus 로고    scopus 로고
    • Behavior and performance of adsorptive natural gas storage cylinders during discharge
    • K.J. Chang, and O. Talu Behavior and performance of adsorptive natural gas storage cylinders during discharge Appl Therm Eng 16 1996 359 374
    • (1996) Appl Therm Eng , vol.16 , pp. 359-374
    • Chang, K.J.1    Talu, O.2
  • 42
    • 0036397929 scopus 로고    scopus 로고
    • Improved pore-size analysis of carbonaceous adsorbents
    • J. Choma, M. Jaroniec, and M. Kloske Improved pore-size analysis of carbonaceous adsorbents Adsorpt Sci Technol 20 2002 307 315
    • (2002) Adsorpt Sci Technol , vol.20 , pp. 307-315
    • Choma, J.1    Jaroniec, M.2    Kloske, M.3
  • 43
    • 0036737476 scopus 로고    scopus 로고
    • Powdered activated carbons and activated carbon fibers for methane storage: A comparative study
    • D. Lozano-Castello, D. Cazorla-Amoros, and A. Linares-Solano Powdered activated carbons and activated carbon fibers for methane storage: a comparative study Energy Fuels 16 2002 1321 1328
    • (2002) Energy Fuels , vol.16 , pp. 1321-1328
    • Lozano-Castello, D.1    Cazorla-Amoros, D.2    Linares-Solano, A.3
  • 45
    • 84871259969 scopus 로고    scopus 로고
    • 3D carbon based nanostructures for advanced supercapacitors
    • H. Jiang, P.S. Lee, and C. Li 3D carbon based nanostructures for advanced supercapacitors Energy Environ Sci 6 2013 41 53
    • (2013) Energy Environ Sci , vol.6 , pp. 41-53
    • Jiang, H.1    Lee, P.S.2    Li, C.3
  • 47
    • 41649116007 scopus 로고    scopus 로고
    • Carbon-silica composite adsorbent: Characterization and adsorption of light gases
    • T.G. Glover, K.I. Dunne, R.J. Davis, and M.D. LeVan Carbon-silica composite adsorbent: characterization and adsorption of light gases Microporous Mesoporous Mater 111 2008 1 11
    • (2008) Microporous Mesoporous Mater , vol.111 , pp. 1-11
    • Glover, T.G.1    Dunne, K.I.2    Davis, R.J.3    Levan, M.D.4


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