메뉴 건너뛰기




Volumn 116, Issue 26, 2012, Pages 13954-13963

Computer simulation of benzene-water mixture adsorption in graphitic slit pores

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION MECHANISMS; ADSORPTION OF WATER; BENZENE ADSORPTION; BENZENE MOLECULES; BULK LIQUID; CONDENSATION PRESSURE; GRAPHITE SURFACES; GRAPHITIC SLIT PORES; HIGH CONCENTRATION; HIGH LOADINGS; HIGH PRESSURE; MONTE CARLO SIMULATION; PRESSURE OF WATER; SLIT PORES; SORPTION PROCESS; VAPOR COMPOSITION; VAPOR PHASE; WATER DENSITY; WATER MOLECULE;

EID: 84863661845     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp301729x     Document Type: Review
Times cited : (16)

References (44)
  • 1
    • 31344476451 scopus 로고
    • The absolute adsorption isotherms of vapors of nitrogen, benzene and n-hexane, and the heats of adsorption of benzene and n-hexane on graphitized carbon blacks. I. Graphitized thermal blacks
    • Isirikyan, A. A.; Kiselev, A. V. The absolute adsorption isotherms of vapors of nitrogen, benzene and n-hexane, and the heats of adsorption of benzene and n-hexane on graphitized carbon blacks. I. Graphitized thermal blacks J. Phys. Chem. 1961, 65 (4) 601-607
    • (1961) J. Phys. Chem. , vol.65 , Issue.4 , pp. 601-607
    • Isirikyan, A.A.1    Kiselev, A.V.2
  • 2
    • 0007538844 scopus 로고
    • Adsorption isotherms of nitrogen, benzene and n-hexane and the heats of adsorption of benzene and n-hexane on graphitized carbon blacks. II. Adsorption on graphitized channel blacks
    • Isirikyan, A. A.; Kiselev, A. V. Adsorption isotherms of nitrogen, benzene and n-hexane and the heats of adsorption of benzene and n-hexane on graphitized carbon blacks. II. Adsorption on graphitized channel blacks J. Phys. Chem. 1962, 66 (2) 205-209
    • (1962) J. Phys. Chem. , vol.66 , Issue.2 , pp. 205-209
    • Isirikyan, A.A.1    Kiselev, A.V.2
  • 3
    • 34548330805 scopus 로고
    • Adsorption of benzene and n-hexane on graphitised carbon black
    • Berezin, G. I.; Kiselev, A. V.; Sinitsyn, V. A. Adsorption of benzene and n-hexane on graphitised carbon black Russ. J. Phys. Chem. 1970, 44 (3) 408-411
    • (1970) Russ. J. Phys. Chem. , vol.44 , Issue.3 , pp. 408-411
    • Berezin, G.I.1    Kiselev, A.V.2    Sinitsyn, V.A.3
  • 4
    • 0001683440 scopus 로고
    • The adsorption of benzene on homogeneous substrates
    • Pierotti, R. A.; Smallwood, R. E. The adsorption of benzene on homogeneous substrates J. Colloid Interface Sci. 1966, 22 (5) 469-481
    • (1966) J. Colloid Interface Sci. , vol.22 , Issue.5 , pp. 469-481
    • Pierotti, R.A.1    Smallwood, R.E.2
  • 6
    • 33244477892 scopus 로고    scopus 로고
    • Adsorption of benzene on graphitized thermal carbon black: Reduction of the quadrupole moment in the adsorbed phase
    • Do, D. D.; Do, H. D. Adsorption of benzene on graphitized thermal carbon black: Reduction of the quadrupole moment in the adsorbed phase Langmuir 2006, 22 (3) 1121-1128
    • (2006) Langmuir , vol.22 , Issue.3 , pp. 1121-1128
    • Do, D.D.1    Do, H.D.2
  • 7
    • 83955165308 scopus 로고    scopus 로고
    • Multilayer adsorption of benzene on graphitised thermal carbon black - 'the importance of quadrupole and explicit hydrogen in the potential model
    • Klomkliang, N.; Do, D. D.; Nicholson, D.; Tangsathitkulchai, C.; Wongkoblap, A. Multilayer adsorption of benzene on graphitised thermal carbon black - 'the importance of quadrupole and explicit hydrogen in the potential model Chem. Eng. Sci. 2012, 69 (1) 472-482
    • (2012) Chem. Eng. Sci. , vol.69 , Issue.1 , pp. 472-482
    • Klomkliang, N.1    Do, D.D.2    Nicholson, D.3    Tangsathitkulchai, C.4    Wongkoblap, A.5
  • 8
    • 34848823435 scopus 로고    scopus 로고
    • Transferable potentials for phase equilibria. 9. Explicit hydrogen description of benzene and five-membered and six-membered heterocyclic aromatic compounds
    • Rai, N.; Siepmann, J. I. Transferable potentials for phase equilibria. 9. Explicit hydrogen description of benzene and five-membered and six-membered heterocyclic aromatic compounds J. Phys. Chem. B 2007, 111 (36) 10790-10799
    • (2007) J. Phys. Chem. B , vol.111 , Issue.36 , pp. 10790-10799
    • Rai, N.1    Siepmann, J.I.2
  • 9
    • 0034710408 scopus 로고    scopus 로고
    • Transferable potentials for phase equilibria. 4. United-atom description of linear and branched alkenes and alkylbenzenes
    • Wick, C. D.; Martin, M. G.; Siepmann, J. I. Transferable potentials for phase equilibria. 4. United-atom description of linear and branched alkenes and alkylbenzenes J. Phys. Chem. B 2000, 104 (33) 8008-8016
    • (2000) J. Phys. Chem. B , vol.104 , Issue.33 , pp. 8008-8016
    • Wick, C.D.1    Martin, M.G.2    Siepmann, J.I.3
  • 10
    • 0034331335 scopus 로고    scopus 로고
    • Adsorption of water vapor on a graphitized carbon black
    • Easton, E. B.; Machin, W. D. Adsorption of water vapor on a graphitized carbon black J. Colloid Interface Sci. 2000, 231 (1) 204-206
    • (2000) J. Colloid Interface Sci. , vol.231 , Issue.1 , pp. 204-206
    • Easton, E.B.1    MacHin, W.D.2
  • 11
    • 34247644364 scopus 로고    scopus 로고
    • Simulation study of water adsorption on carbon black: The effect of graphite water interaction strength
    • Birkett, G.; Do, D. D. Simulation study of water adsorption on carbon black: the effect of graphite water interaction strength J. Phys. Chem. 2007, 111 (15) 5735-5742
    • (2007) J. Phys. Chem. , vol.111 , Issue.15 , pp. 5735-5742
    • Birkett, G.1    Do, D.D.2
  • 12
    • 47349119672 scopus 로고    scopus 로고
    • Adsorption of polar and nonpolar fluids in finite-length carbon slit pore: A Monte Carlo simulation study
    • Wongkoblap, A.; Do, D. D. Adsorption of polar and nonpolar fluids in finite-length carbon slit pore: a Monte Carlo simulation study Chem. Eng. Commun. 2008, 195 (11) 1382-1395
    • (2008) Chem. Eng. Commun. , vol.195 , Issue.11 , pp. 1382-1395
    • Wongkoblap, A.1    Do, D.D.2
  • 13
    • 0042326205 scopus 로고    scopus 로고
    • Predicting adsorption of water/organic mixtures using molecular simulation
    • Jorge, M.; Seaton, N. A. Predicting adsorption of water/organic mixtures using molecular simulation AIChE J. 2003, 49 (8) 2059-2070
    • (2003) AIChE J. , vol.49 , Issue.8 , pp. 2059-2070
    • Jorge, M.1    Seaton, N.A.2
  • 14
    • 32444431995 scopus 로고    scopus 로고
    • The adsorption of water in finite carbon pores
    • Birkett, G. R.; Do, D. D. The adsorption of water in finite carbon pores Mol. Phys. 2006, 104 (4) 623-637
    • (2006) Mol. Phys. , vol.104 , Issue.4 , pp. 623-637
    • Birkett, G.R.1    Do, D.D.2
  • 15
    • 0037047197 scopus 로고    scopus 로고
    • Adsorption of water in activated carbons: Effects of pore blocking and connectivity
    • Brennan, J. K.; Thomson, K. T.; Gubbins, K. E. Adsorption of water in activated carbons: effects of pore blocking and connectivity Langmuir 2002, 18 (14) 5438-5447
    • (2002) Langmuir , vol.18 , Issue.14 , pp. 5438-5447
    • Brennan, J.K.1    Thomson, K.T.2    Gubbins, K.E.3
  • 16
    • 33947367337 scopus 로고    scopus 로고
    • Cluster-associated filling of water molecules in slit-shaped graphitic nanopores
    • Ohba, T.; Kaneko, K. Cluster-associated filling of water molecules in slit-shaped graphitic nanopores Mol. Phys. 2007, 105 (2-3) 139-145
    • (2007) Mol. Phys. , vol.105 , Issue.2-3 , pp. 139-145
    • Ohba, T.1    Kaneko, K.2
  • 17
    • 0141931909 scopus 로고    scopus 로고
    • Molecular simulation study of hydrophilic and hydrophobic behavior of activated carbon surfaces
    • Müller, E. A.; Gubbins, K. E. Molecular simulation study of hydrophilic and hydrophobic behavior of activated carbon surfaces Carbon 1998, 36 (10) 1433-1438
    • (1998) Carbon , vol.36 , Issue.10 , pp. 1433-1438
    • Müller, E.A.1    Gubbins, K.E.2
  • 18
    • 33751132212 scopus 로고    scopus 로고
    • Adsorption of water on activated carbons: A molecular simulation study
    • Müller, E. A.; Rull, L. F.; Vega, L. F.; Gubbins, K. E. Adsorption of water on activated carbons: a molecular simulation study J. Phys. Chem. 1996, 100 (4) 1189-1196
    • (1996) J. Phys. Chem. , vol.100 , Issue.4 , pp. 1189-1196
    • Müller, E.A.1    Rull, L.F.2    Vega, L.F.3    Gubbins, K.E.4
  • 19
    • 0347473753 scopus 로고    scopus 로고
    • Binary adsorption equilibrium of benzene-water vapor mixtures on activated carbon
    • Gao, H. S.; Wang, D. H.; Ye, Y. C.; Tan, T. Binary adsorption equilibrium of benzene-water vapor mixtures on activated carbon Chin. J. Chem. Eng. 2002, 10 (3) 367-370
    • (2002) Chin. J. Chem. Eng. , vol.10 , Issue.3 , pp. 367-370
    • Gao, H.S.1    Wang, D.H.2    Ye, Y.C.3    Tan, T.4
  • 20
    • 79952765512 scopus 로고    scopus 로고
    • An experimental and molecular simulation study of the adsorption of carbon dioxide and methane in nanoporous carbons in the presence of water
    • Billemont, P.; Coasne, B.; De Weireld, G. An experimental and molecular simulation study of the adsorption of carbon dioxide and methane in nanoporous carbons in the presence of water Langmuir 2010, 27 (3) 1015-1024
    • (2010) Langmuir , vol.27 , Issue.3 , pp. 1015-1024
    • Billemont, P.1    Coasne, B.2    De Weireld, G.3
  • 21
    • 33646396193 scopus 로고    scopus 로고
    • Adsorption dynamics of organic compounds and water vapor in activated carbon beds
    • Qi, N.; Appel, W. S.; LeVan, M. D.; Finn, J. E. Adsorption dynamics of organic compounds and water vapor in activated carbon beds Ind. Eng. Chem. Res. 2006, 45 (7) 2303-2314
    • (2006) Ind. Eng. Chem. Res. , vol.45 , Issue.7 , pp. 2303-2314
    • Qi, N.1    Appel, W.S.2    Levan, M.D.3    Finn, J.E.4
  • 22
    • 19844375839 scopus 로고    scopus 로고
    • Coadsorption of organic compounds and water vapor on BPL activated carbon. 5. Methyl ethyl ketone, methyl isobutyl ketone, toluene, and modeling
    • Qi, N.; LeVan, M. D. Coadsorption of organic compounds and water vapor on BPL activated carbon. 5. Methyl ethyl ketone, methyl isobutyl ketone, toluene, and modeling Ind. Eng. Chem. Res. 2005, 44 (10) 3733-3741
    • (2005) Ind. Eng. Chem. Res. , vol.44 , Issue.10 , pp. 3733-3741
    • Qi, N.1    Levan, M.D.2
  • 23
    • 0001387466 scopus 로고    scopus 로고
    • Gas phase adsorption of volatile organic compounds and water vapor on activated carbon cloth
    • Cal, M. P.; Rood, M. J.; Larson, S. M. Gas phase adsorption of volatile organic compounds and water vapor on activated carbon cloth Energy Fuels 1997, 11 (2) 311-315
    • (1997) Energy Fuels , vol.11 , Issue.2 , pp. 311-315
    • Cal, M.P.1    Rood, M.J.2    Larson, S.M.3
  • 24
    • 0037031462 scopus 로고    scopus 로고
    • Adsorption of aromatic compounds onto activated carbons: Effects of the orientation of the adsorbates
    • Haghseresht, F.; Finnerty, J. J.; Nouri, S.; Lu, G. Q. Adsorption of aromatic compounds onto activated carbons: effects of the orientation of the adsorbates Langmuir 2002, 18 (16) 6193-6200
    • (2002) Langmuir , vol.18 , Issue.16 , pp. 6193-6200
    • Haghseresht, F.1    Finnerty, J.J.2    Nouri, S.3    Lu, G.Q.4
  • 25
    • 2442660049 scopus 로고    scopus 로고
    • Study on adsorption kinetic of aromatic hydrocarbons onto activated carbon in gaseous flow method
    • Kawasaki, N.; Kinoshita, H.; Oue, T.; Nakamura, T.; Tanada, S. Study on adsorption kinetic of aromatic hydrocarbons onto activated carbon in gaseous flow method J. Colloid Interface Sci. 2004, 275 (1) 40-43
    • (2004) J. Colloid Interface Sci. , vol.275 , Issue.1 , pp. 40-43
    • Kawasaki, N.1    Kinoshita, H.2    Oue, T.3    Nakamura, T.4    Tanada, S.5
  • 26
    • 0036291174 scopus 로고    scopus 로고
    • Adsorption of aromatic compounds by activated carbon: Effects of functional groups and molecular size
    • Nouri, S.; Haghseresht, F.; Lu, M. Adsorption of aromatic compounds by activated carbon: effects of functional groups and molecular size Adsorpt. Sci. Technol. 2002, 20 (1) 1-15
    • (2002) Adsorpt. Sci. Technol. , vol.20 , Issue.1 , pp. 1-15
    • Nouri, S.1    Haghseresht, F.2    Lu, M.3
  • 27
    • 25144433984 scopus 로고    scopus 로고
    • Adsorption of water and aromatics in faujasite zeolites: A molecular simulation study
    • Beauvais, C.; Boutin, A.; Fuchs, A. H. Adsorption of water and aromatics in faujasite zeolites: a molecular simulation study Adsorption 2005, 11 (0) 279-282
    • (2005) Adsorption , vol.11 , Issue.0 , pp. 279-282
    • Beauvais, C.1    Boutin, A.2    Fuchs, A.H.3
  • 28
    • 0037180678 scopus 로고    scopus 로고
    • Simulation study of the effect of the chemical heterogeneity of activated carbon on water adsorption
    • Jorge, M.; Schumacher, C.; Seaton, N. A. Simulation study of the effect of the chemical heterogeneity of activated carbon on water adsorption Langmuir 2002, 18 (24) 9296-9306
    • (2002) Langmuir , vol.18 , Issue.24 , pp. 9296-9306
    • Jorge, M.1    Schumacher, C.2    Seaton, N.A.3
  • 30
    • 29244471731 scopus 로고    scopus 로고
    • A general purpose model for the condensed phases of water: TIP4P/2005
    • Abascal, J. L.; Vega, C. A general purpose model for the condensed phases of water: TIP4P/2005 J. Chem. Phys. 2005, 123 (23) 234505
    • (2005) J. Chem. Phys. , vol.123 , Issue.23 , pp. 234505
    • Abascal, J.L.1    Vega, C.2
  • 31
    • 42449098588 scopus 로고    scopus 로고
    • Surface tension of water and acid gases from Monte Carlo simulations
    • Ghoufi, A.; Goujon, F.; Lachet, V.; Malfreyt, P. Surface tension of water and acid gases from Monte Carlo simulations J. Chem. Phys. 2008, 128 (15) 154716
    • (2008) J. Chem. Phys. , vol.128 , Issue.15 , pp. 154716
    • Ghoufi, A.1    Goujon, F.2    Lachet, V.3    Malfreyt, P.4
  • 32
    • 61949368325 scopus 로고    scopus 로고
    • An internally consistent method for the molecular dynamics simulation of the surface tension: Application to some TIP4P-Type models of water
    • Mountain, R. D. An internally consistent method for the molecular dynamics simulation of the surface tension: application to some TIP4P-Type models of water J. Phys. Chem. B 2008, 113 (2) 482-486
    • (2008) J. Phys. Chem. B , vol.113 , Issue.2 , pp. 482-486
    • Mountain, R.D.1
  • 33
    • 24944534847 scopus 로고    scopus 로고
    • Effects of potential models in the vapor-liquid equilibria and adsorption of simple gases on graphitized thermal carbon black
    • Do, D. D.; Do, H. D. Effects of potential models in the vapor-liquid equilibria and adsorption of simple gases on graphitized thermal carbon black Fluid Phase Equilib. 2005, 236 (1,2) 169-177
    • (2005) Fluid Phase Equilib. , vol.236 , Issue.1-2 , pp. 169-177
    • Do, D.D.1    Do, H.D.2
  • 34
    • 0000216655 scopus 로고
    • Computer simulation of physisorption on a heterogeneous surface
    • Bojan, M. J.; Steele, W. A. Computer simulation of physisorption on a heterogeneous surface Surf. Sci. 1988, 199 (3) L395-L402
    • (1988) Surf. Sci. , vol.199 , Issue.3
    • Bojan, M.J.1    Steele, W.A.2
  • 36
    • 36049024999 scopus 로고
    • The physical interaction of gases with crystalline solids: I. Gas-solid energies and properties of isolated adsorbed atoms
    • Steele, W. A. The physical interaction of gases with crystalline solids: I. Gas-solid energies and properties of isolated adsorbed atoms Surf. Sci. 1973, 36 (1) 317-352
    • (1973) Surf. Sci. , vol.36 , Issue.1 , pp. 317-352
    • Steele, W.A.1
  • 37
    • 0001739547 scopus 로고
    • A grand canonical Monte Carlo study of Lennard-Jones mixtures in slit shaped pores
    • Cracknell, R. F.; Nicholson, D.; Quirke, N. A grand canonical Monte Carlo study of Lennard-Jones mixtures in slit shaped pores Mol. Phys. 1993, 80 (4) 885-897
    • (1993) Mol. Phys. , vol.80 , Issue.4 , pp. 885-897
    • Cracknell, R.F.1    Nicholson, D.2    Quirke, N.3
  • 38
  • 39
    • 3042845510 scopus 로고    scopus 로고
    • Simulated water adsorption isotherms in carbon nanopores
    • Striolo, A.; Gubbins, K. E.; Chialvo, A. A.; Cummings, P. T. Simulated water adsorption isotherms in carbon nanopores Mol. Phys. 2004, 102 (3) 243-251
    • (2004) Mol. Phys. , vol.102 , Issue.3 , pp. 243-251
    • Striolo, A.1    Gubbins, K.E.2    Chialvo, A.A.3    Cummings, P.T.4
  • 40
    • 27544460181 scopus 로고    scopus 로고
    • Does water condense in carbon pores?
    • Liu, J. C.; Monson, P. A. Does water condense in carbon pores? Langmuir 2005, 21 (22) 10219-10225
    • (2005) Langmuir , vol.21 , Issue.22 , pp. 10219-10225
    • Liu, J.C.1    Monson, P.A.2
  • 41
    • 33746311995 scopus 로고    scopus 로고
    • Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice
    • Vega, C.; Abascal, J. L. F.; Nezbeda, I. Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice J. Chem. Phys. 2006, 125 (3) 034503-9
    • (2006) J. Chem. Phys. , vol.125 , Issue.3 , pp. 034503-034509
    • Vega, C.1    Abascal, J.L.F.2    Nezbeda, I.3
  • 42
    • 35649011985 scopus 로고    scopus 로고
    • Appropriate volumes for adsorption isotherm studies: The absolute void volume, accessible pore volume and enclosing particle volume
    • Do, D. D.; Do, H. D. Appropriate volumes for adsorption isotherm studies: the absolute void volume, accessible pore volume and enclosing particle volume J. Colloid Interface Sci 2007, 316 (2) 317-330
    • (2007) J. Colloid Interface Sci , vol.316 , Issue.2 , pp. 317-330
    • Do, D.D.1    Do, H.D.2
  • 44
    • 36649005739 scopus 로고    scopus 로고
    • Water adsorption with hysteresis effect onto microporous activated carbon fabrics
    • Sullivan, P.; Stone, B.; Hashisho, Z.; Rood, M. Water adsorption with hysteresis effect onto microporous activated carbon fabrics Adsorption 2007, 13 (3) 173-189
    • (2007) Adsorption , vol.13 , Issue.3 , pp. 173-189
    • Sullivan, P.1    Stone, B.2    Hashisho, Z.3    Rood, M.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.