메뉴 건너뛰기




Volumn 47, Issue 9, 2014, Pages 664-675

The infrared characterization and mechanism of oxygen adsorption in coal

Author keywords

Adsorption; Coal; Density functional theory (DFT); Fourier transform infrared (FT IR) spectroscopy

Indexed keywords


EID: 84899524059     PISSN: 00387010     EISSN: 15322289     Source Type: Journal    
DOI: 10.1080/00387010.2013.833940     Document Type: Article
Times cited : (64)

References (38)
  • 1
    • 3042694556 scopus 로고    scopus 로고
    • Design and implementation of a dedicated prototype GIS for coal fire investigations in North China
    • Prakash, A.; Vekerdy, Z. Design and implementation of a dedicated prototype GIS for coal fire investigations in North China. Int. J. Coal Geol. 2004, 59(1-2), 107-119.
    • (2004) Int. J. Coal Geol. , vol.59 , Issue.1-2 , pp. 107-119
    • Prakash, A.1    Vekerdy, Z.2
  • 2
    • 3042643513 scopus 로고    scopus 로고
    • Coal fires burning out of control around the world: Thermodynamic recipe for environmental catastrophe
    • Stracher, G. B.; Taylor, T. P. Coal fires burning out of control around the world: Thermodynamic recipe for environmental catastrophe. Int. J. Coal Geol. 2004, 59(1-2), 7-17.
    • (2004) T. J. Coal Geol. , vol.59 , Issue.1-2 , pp. 7-17
    • Stracher, G.B.1    Taylor, T.P.2
  • 3
    • 0001560947 scopus 로고    scopus 로고
    • Ow-temperature oxidation of coal: An experimental and modelling investigation using a fixed-bed isothermal flow reactor
    • Krishnaswamy, S.; Gunn, R. D.; Agarwal, P. K. Low-temperature oxidation of coal: An experimental and modelling investigation using a fixed-bed isothermal flow reactor. Fuel 1996, 75(3), 344-352.
    • (1996) Fuel , vol.75 , Issue.3 , pp. 344-352
    • Krishnaswamy, S.1    Gunn, R.D.2    Agarwal, P.K.3
  • 4
    • 0002811651 scopus 로고
    • Del for coal oxidation kinetics: 1. Reaction under chemical control
    • Karsner, G. G.; Perlmutter, D. D. Model for coal oxidation kinetics: 1. Reaction under chemical control. Fuel 1982, 61(1), 29-34.
    • (1982) El , vol.61 , Issue.1 , pp. 29-34
    • Karsner, G.G.1    Perlmutter, D.D.2
  • 5
    • 0036903730 scopus 로고    scopus 로고
    • Kinetic modeling of low-temperature oxidation of coal
    • Wang, H.; Dlugogorski, B. Z.; Kennedy, E. M. Kinetic modeling of low-temperature oxidation of coal. Combust. Flame 2002, 131(4), 452-464.
    • (2002) Combust. Flame , vol.131 , Issue.4 , pp. 452-464
    • Wang, H.1    Dlugogorski, B.Z.2    Kennedy, E.M.3
  • 6
    • 0017172472 scopus 로고
    • The oxidation of bituminous COAL-II experimental kinetics and interpretation
    • Kam, A. Y.; Hixson, A. N.; Perlmutter, D. D. The oxidation of bituminous COAL-II experimental kinetics and interpretation. Chem. Eng. Sci. 1976, 31(9), 821-834.
    • (1976) Chem. Eng. Sci. , vol.31 , Issue.9 , pp. 821-834
    • Kam, A.Y.1    Hixson, A.N.2    Perlmutter, D.D.3
  • 7
    • 0017141026 scopus 로고
    • The oxidation of bituminous coal-I Development of a mathematical model
    • Kam, A. Y.; Hixson, A. N.; Perlmutter, D. D. The oxidation of bituminous coal-I Development of a mathematical model. Chem. Eng. Sci. 1976, 31(9), 815-819.
    • (1976) Chem. Eng. Sci. , vol.31 , Issue.9 , pp. 815-819
    • Kam, A.Y.1    Hixson, A.N.2    Perlmutter, D.D.3
  • 8
    • 14744267633 scopus 로고    scopus 로고
    • The mechanism at the initial stage of the room-temperature oxidation of coal
    • Shi, T.; Wang, X. F.; Deng, J.; Wen, Z. Y. The mechanism at the initial stage of the room-temperature oxidation of coal. Combust. Flame 2005, 140(4), 332-345.
    • (2005) Combust. Flame , vol.140 , Issue.4 , pp. 332-345
    • Shi, T.1    Wang, X.F.2    Deng, J.3    Wen, Z.Y.4
  • 9
    • 0242301079 scopus 로고    scopus 로고
    • Coal oxidation at low temperatures: Oxygen consumption, oxidation products, reaction mechanism and kinetic modeling
    • Wang, H.; Dlugogorski, B. Z.; Kennedy, E. M. Coal oxidation at low temperatures: Oxygen consumption, oxidation products, reaction mechanism and kinetic modelling. Prog. Energy Combust. Sci. 2003, 29(6), 487-513.
    • (2003) Prog. Energy Combust. Sci. , vol.29 , Issue.6 , pp. 487-513
    • Wang, H.1    Dlugogorski, B.Z.2    Kennedy, E.M.3
  • 10
    • 0028561543 scopus 로고
    • Self-heating of coal and related materials: Models, application and test methods
    • Carras, J. N.; Young, B. C. Self-heating of coal and related materials: Models, application and test methods. Prog. Energy Combust. Sci. 1994, 20(1), 1-15.
    • (1994) Prog. Energy Combust. Sci. , vol.20 , Issue.1 , pp. 1-15
    • Carras, J.N.1    Young, B.C.2
  • 11
    • 0000191583 scopus 로고
    • Rate studies of aerial oxidation of coal at low temperatures (30-170°C)
    • Banerjee, S. C.; Banerjee, B. D.; Chakravorty, R. N. Rate studies of aerial oxidation of coal at low temperatures (30-170°C). Fuel 1970, 49(3), 324-331.
    • (1970) Fuel , vol.49 , Issue.3 , pp. 324-331
    • Banerjee, S.C.1    Banerjee, B.D.2    Chakravorty, R.N.3
  • 12
    • 0023288529 scopus 로고
    • Low temperature oxidation of coals - A calorimetric study
    • Kaji, R.; Hishinuma, Y.; Nakamura, Y. Low temperature oxidation of coals-a calorimetric study. Fuel 1987, 66(2), 154-157.
    • (1987) Fuel , vol.66 , Issue.2 , pp. 154-157
    • Kaji, R.1    Hishinuma, Y.2    Nakamura, Y.3
  • 13
    • 0018480256 scopus 로고
    • The rate of oxidation of char and coal in relation to their tendency to self-heat
    • Nordon, P.; Young, B. C.; Bainbridge, N. W. The rate of oxidation of char and coal in relation to their tendency to self-heat. Fuel 1979, 58(6), 443-449.
    • (1979) Fuel , vol.58 , Issue.6 , pp. 443-449
    • Nordon, P.1    Young, B.C.2    Bainbridge, N.W.3
  • 14
    • 0028519508 scopus 로고
    • Effect of particle size on the spontaneous heating of a coal stockpile
    • Akgün, F.; Arisoy, A. Effect of particle size on the spontaneous heating of a coal stockpile. Combust. Flame 1994, 99(1), 137-146.
    • (1994) Combust. Flame , vol.99 , Issue.1 , pp. 137-146
    • Akgün, F.1    Arisoy, A.2
  • 15
    • 0000469979 scopus 로고
    • The adsorption of oxygen on brown coal char
    • Allardice, D. J. The adsorption of oxygen on brown coal char. Carbon 1966, 4(2), 255-262.
    • (1966) Carbon , vol.4 , Issue.2 , pp. 255-262
    • Allardice, D.J.1
  • 16
    • 0032313630 scopus 로고    scopus 로고
    • Air oxidation of Beypazari lignite at 50°C, 100°C and 150°C
    • Yürüm, Y.; Altuntas, N. Air oxidation of Beypazari lignite at 50°C, 100°C and 150°C. Fuel 1998, 77(15), 1809-1814.
    • (1998) Fuel , vol.77 , Issue.15 , pp. 1809-1814
    • Yürüm, Y.1    Altuntas, N.2
  • 17
    • 84857046727 scopus 로고    scopus 로고
    • Theoretical studies of CO2 adsorption mechanism on linkers of metal-organic frameworks
    • Liu, Y.; Liu, J.; Chang, M.; Zheng, C. Theoretical studies of CO2 adsorption mechanism on linkers of metal-organic frameworks. Fuel 2012, 95(1), 521-527.
    • (2012) Fuel , vol.95 , Issue.1 , pp. 521-527
    • Liu, Y.1    Liu, J.2    Chang, M.3    Zheng, C.4
  • 18
    • 33344476746 scopus 로고    scopus 로고
    • A density functional theory study of a series of functionalized metal-organic frameworks
    • Kim, D.; Lee, T. B.; Choi, S. B.; Yoon, J. H.; Kim, J.; Choi, S. H. A density functional theory study of a series of functionalized metal-organic frameworks. Chem. Phys. Lett. 2006, 420(1-3), 256-260.
    • (2006) Chem. Phys. Lett. , vol.420 , Issue.1-3 , pp. 256-260
    • Kim, D.1    Lee, T.B.2    Choi, S.B.3    Yoon, J.H.4    Kim, J.5    Choi, S.H.6
  • 19
    • 67649411736 scopus 로고    scopus 로고
    • Theoretical study of different speciation of mercury adsorption on CaO (001) surface
    • Xin, G.; Zhao, P.; Zheng, C. Theoretical study of different speciation of mercury adsorption on CaO (001) surface. Proc. Combust. Inst. 2009, 32, 2693-2699.
    • (2009) Proc. Combust. Inst. , vol.32 , pp. 2693-2699
    • Xin, G.1    Zhao, P.2    Zheng, C.3
  • 20
    • 65249103867 scopus 로고    scopus 로고
    • Adsorption energies of mercurycontaining species on CaO and temperature effects on equilibrium constants predicted by density functional theory calculations
    • Kim, B. G.; Li, X.; Blowers, P. Adsorption energies of mercurycontaining species on CaO and temperature effects on equilibrium constants predicted by density functional theory calculations. Langmuir 2009, 25(5), 2781-2789.
    • (2009) Langmuir , vol.25 , Issue.5 , pp. 2781-2789
    • Kim, B.G.1    Li, X.2    Blowers, P.3
  • 21
    • 0041376809 scopus 로고    scopus 로고
    • A theoretical study on the reactions of Hg with halogens: Atmospheric implications
    • Khalizov, A. F.; Viswanathan, B.; Larregaray, P.; Ariya, P. A. A theoretical study on the reactions of Hg with halogens: Atmospheric implications. J. Phys. Chem. A 2003, 107(33), 6360-6365.
    • (2003) J. Phys. Chem. A , vol.107 , Issue.33 , pp. 6360-6365
    • Khalizov, A.F.1    Viswanathan, B.2    Larregaray, P.3    Ariya, P.A.4
  • 22
    • 79951943488 scopus 로고    scopus 로고
    • Density functional study of elemental mercury adsorption on surfactants
    • Sun, X. A.; Hwang, J. Y.; Xie, S. Q. Density functional study of elemental mercury adsorption on surfactants. Fuel 2011, 90(3), 1061-1068.
    • (2011) Fuel , vol.90 , Issue.3 , pp. 1061-1068
    • Sun, X.A.1    Hwang, J.Y.2    Xie, S.Q.3
  • 23
    • 79251623975 scopus 로고    scopus 로고
    • Density functional theory study of mercury adsorption on V2O5 (001) surface with implications for oxidation
    • Liu, J.; He, M.; Zheng, C.; Chang, M. Density functional theory study of mercury adsorption on V2O5 (001) surface with implications for oxidation. Proc. Combust. Inst. 2011, 33, 2771-2777.
    • (2011) Proc. Combust. Inst. , vol.33 , pp. 2771-2777
    • Liu, J.1    He, M.2    Zheng, C.3    Chang, M.4
  • 24
    • 67049097380 scopus 로고    scopus 로고
    • A kinetic investigation of high-temperature mercury oxidation by chlorine
    • Wilcox, J. A kinetic investigation of high-temperature mercury oxidation by chlorine. J. Phys. Chem. A 2009, 113(24), 6633-6639.
    • (2009) J. Phys. Chem. A , vol.113 , Issue.24 , pp. 6633-6639
    • Wilcox, J.1
  • 25
    • 79551532786 scopus 로고    scopus 로고
    • Effects of chemical functional groups on elemental mercury adsorption on carbonaceous surfaces
    • Liu, J.; Cheney, M. A.; Wu, F.; Li, M. Effects of chemical functional groups on elemental mercury adsorption on carbonaceous surfaces. J. Hazard. Mater. 2011, 186(1), 108-113.
    • (2011) J. Hazard. Mater. , vol.186 , Issue.1 , pp. 108-113
    • Liu, J.1    Cheney, M.A.2    Wu, F.3    Li, M.4
  • 26
    • 16344366914 scopus 로고    scopus 로고
    • Kinetic mechanism studies on reactions of mercury and oxidizing species in coal combustion
    • Zheng, C. G.; Liu, J.; Liu, Z. H.; Xu, M. H.; Liu, Y. H. Kinetic mechanism studies on reactions of mercury and oxidizing species in coal combustion. Fuel 2005, 84(10), 1215-1220.
    • (2005) Fuel , vol.84 , Issue.10 , pp. 1215-1220
    • Zheng, C.G.1    Liu, J.2    Liu, Z.H.3    Xu, M.H.4    Liu, Y.H.5
  • 27
    • 67949120220 scopus 로고    scopus 로고
    • Understanding mercury binding on activated carbon
    • Padak, B.; Wilcox, J. Understanding mercury binding on activated carbon. Carbon 2009, 47(12), 2855-2864.
    • (2009) Carbon , vol.47 , Issue.12 , pp. 2855-2864
    • Padak, B.1    Wilcox, J.2
  • 28
    • 80055032445 scopus 로고    scopus 로고
    • In situ FT-IR study of thiophene adsorbed on the surface of sulfided Mo catalysts
    • Liu, D.; Li, Z.; Sun, Q.; Kong, X.; Zhao, A.; Wang, Z. In situ FT-IR study of thiophene adsorbed on the surface of sulfided Mo catalysts. Fuel 2012, 92(1), 77-83.
    • (2012) Fuel , vol.92 , Issue.1 , pp. 77-83
    • Liu, D.1    Li, Z.2    Sun, Q.3    Kong, X.4    Zhao, A.5    Wang, Z.6
  • 29
    • 77953789198 scopus 로고    scopus 로고
    • Study on the aggregation of residue-derived asphaltene molecules
    • Liu, D.; Kong, X.; Li, M. Y.; Wang, Z. X. Study on the aggregation of residue-derived asphaltene molecules. Energy Fuels 2010, 24, 3624-3627.
    • (2010) Energy Fuels , vol.24 , pp. 3624-3627
    • Liu, D.1    Kong, X.2    Li, M.Y.3    Wang, Z.X.4
  • 30
    • 0035355766 scopus 로고    scopus 로고
    • In situ FT-IR study of CO and H-2 adsorption on a Pt=Al2O3 catalyst
    • Liu, D.; Que, G. H.; Wang, Z. X.; Yan, Z. F. In situ FT-IR study of CO and H-2 adsorption on a Pt=Al2O3 catalyst. Catal. Today 2001, 68(1-3), 155-160.
    • (2001) Catal. Today , vol.68 , Issue.1-3 , pp. 155-160
    • Liu, D.1    Que, G.H.2    Wang, Z.X.3    Yan, Z.F.4
  • 31
    • 0032673932 scopus 로고    scopus 로고
    • Theoretical analysis of reaction regimes in low-temperature oxidation of coal
    • Wang, H.; Dlugogorski, B. Z.; Kennedy, E. M. Theoretical analysis of reaction regimes in low-temperature oxidation of coal. Fuel 1999, 78(9), 1073-1081.
    • (1999) Fuel , vol.78 , Issue.9 , pp. 1073-1081
    • Wang, H.1    Dlugogorski, B.Z.2    Kennedy, E.M.3
  • 32
    • 0026106414 scopus 로고
    • Low temperature oxidation studies of dried New Zealand coals
    • Clemens, A. H.; Matheson, T. W.; Rogers, D. E. Low temperature oxidation studies of dried New Zealand coals. Fuel 1991, 70(2), 215-221.
    • (1991) Fuel , vol.70 , Issue.2 , pp. 215-221
    • Clemens, A.H.1    Matheson, T.W.2    Rogers, D.E.3
  • 33
    • 38849104456 scopus 로고    scopus 로고
    • Probing the adsorption sites for CO2 in metal organic frameworks materials MIL-53 (Al, Cr) and MIL-47 (V) by density functional theory
    • Ramsahye, N. A.; Maurin, G.; Bourrelly, S.; Llewellyn, P. L.; Serre, C.; Loiseau, T.; Devic, T.; Ferey, G. Probing the adsorption sites for CO2 in metal organic frameworks materials MIL-53 (Al, Cr) and MIL-47 (V) by density functional theory. J. Phys. Chem. C 2008, 112(2), 514-520.
    • (2008) J. Phys. Chem. C , vol.112 , Issue.2 , pp. 514-520
    • Ramsahye, N.A.1    Maurin, G.2    Bourrelly, S.3    Llewellyn, P.L.4    Serre, C.5    Loiseau, T.6    Devic, T.7    Ferey, G.8
  • 34
    • 34250817103 scopus 로고
    • A new mixing of Hartree-Fock and local densityfunctional theories
    • Becke, A. D. A new mixing of Hartree-Fock and local densityfunctional theories. J. Chem. Phys. 1993, 98(2), 1372.
    • (1993) J. Chem. Phys. , vol.98 , Issue.2 , pp. 1372
    • Becke, A.D.1
  • 35
    • 0345491105 scopus 로고
    • Development of the Colle- Salvetti correlation-energy formula into a functional of the electron density
    • Chengteh, L.; Weitao, Y.; Parr, R. G. Development of the Colle- Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B: Condens. Matter 1988, 37(2), 785-789.
    • (1988) Phys. Rev. B: Condens. Matter , vol.37 , Issue.2 , pp. 785-789
    • Chengteh, L.1    Weitao, Y.2    Parr, R.G.3
  • 36
    • 26844558064 scopus 로고    scopus 로고
    • A density functional theory study of hydrogen adsorption in MOF-5
    • Mueller, T.; Ceder, G. A density functional theory study of hydrogen adsorption in MOF-5. J. Phys. Chem. B 2005, 109(38), 17974-17983.
    • (2005) J. Phys. Chem. B , vol.109 , Issue.38 , pp. 17974-17983
    • Mueller, T.1    Ceder, G.2
  • 37
    • 84879375431 scopus 로고    scopus 로고
    • In situ FTIR study of real-time changes of active groups during oxygen-free reaction of coal
    • Qi, X.; Wang, D.; Xin, H.; Qi, G. In situ FTIR study of real-time changes of active groups during oxygen-free reaction of coal. Energy Fuels 2013, 27.
    • (2013) Energy Fuels , vol.27
    • Qi, X.1    Wang, D.2    Xin, H.3    Qi, G.4
  • 38
    • 84887124504 scopus 로고    scopus 로고
    • An in situ testing method for analyzing the changes of active groups in coal oxidation at low temperatures
    • Qi, X.; Wang, D.; Xin, H.; Qi, G. An in situ testing method for analyzing the changes of active groups in coal oxidation at low temperatures. Spectrosc. Lett. 2014, 47(7), 495-503.
    • (2014) Spectrosc. Lett. , vol.47 , Issue.7 , pp. 495-503
    • Qi, X.1    Wang, D.2    Xin, H.3    Qi, G.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.