-
1
-
-
84863065475
-
-
U.S. Department of Energy. DOE: Washington, DC, Available at
-
U.S. Department of Energy. Basic Reseach Needs for Carbon Capture: Beyond 2020; DOE: Washington, DC, 2010. Available at http://www.sc.doe.gov/bes/ reports/files/CCB2020-rpt.pdf
-
(2010)
Basic Reseach Needs for Carbon Capture: Beyond 2020
-
-
-
2
-
-
67349202904
-
-
Cambridge University Press: Cambridge, UK, Chapter 5
-
Benson, S.; Cook, P. Intergovernmental Panel on Climate Change, Special Report on Carbon dioxide Capture and Storage: Underground Geological Storage; Cambridge University Press: Cambridge, UK, 2005; Chapter 5, pp 196-276.
-
(2005)
Intergovernmental Panel on Climate Change, Special Report on Carbon Dioxide Capture and Storage: Underground Geological Storage
, pp. 196-276
-
-
Benson, S.1
Cook, P.2
-
5
-
-
33845537970
-
Molecular simulation of carbon dioxide adsorption in chemically and structurally heterogeneous porous carbons
-
DOI 10.1002/ep.10168
-
Tenney, C. M.; Lastoskie, C. M. Molecular simulation of carbon dioxide adsorption in chemically and structurally heterogeneous porous carbons Environ. Prog. 2006, 25 (4) 343-354 (Pubitemid 44925422)
-
(2006)
Environmental Progress
, vol.25
, Issue.4
, pp. 343-354
-
-
Tenney, C.M.1
Lastoskie, C.M.2
-
6
-
-
77949821032
-
Carbon dioxide adsorption-induced deformation of microporous carbons
-
Kowalczyk, P.; Furmaniak, S.; Gauden, P. A.; Terzyk, A. P. Carbon dioxide adsorption-induced deformation of microporous carbons J. Phys. Chem. C 2010, 114, 5126-5133
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 5126-5133
-
-
Kowalczyk, P.1
Furmaniak, S.2
Gauden, P.A.3
Terzyk, A.P.4
-
7
-
-
4243591228
-
Pore size heterogeneity and the carbon slit pore: A density functional theory model
-
Lastoskie, C.; Gubbins, K. E.; Quirket, N. Pore size heterogeneity and the carbon slit pore: A density functional theory model Langmuir 1993, 9, 2693-2702
-
(1993)
Langmuir
, vol.9
, pp. 2693-2702
-
-
Lastoskie, C.1
Gubbins, K.E.2
Quirket, N.3
-
8
-
-
80051778508
-
2-filling capacity and selectivity of carbon nanopores: Synthesis, texture, and pore-size distribution from quenched-solid density functional theory (QSDFT)
-
2-filling capacity and selectivity of carbon nanopores: Synthesis, texture, and pore-size distribution from quenched-solid density functional theory (QSDFT) Environ. Sci. Technol. 2011, 45 (16) 7068-7074
-
(2011)
Environ. Sci. Technol.
, vol.45
, Issue.16
, pp. 7068-7074
-
-
Hu, X.1
Radosz, M.2
-
9
-
-
27744595501
-
Adsorption of super greenhouse gases on microporous carbons
-
DOI 10.1021/es050587n
-
Müller, E. A. Adsorption of super greenhouse gases on microporous carbons Environ. Sci. Technol. 2005, 39 (22) 8736-8741 (Pubitemid 41636141)
-
(2005)
Environmental Science and Technology
, vol.39
, Issue.22
, pp. 8736-8741
-
-
Muller, E.A.1
-
10
-
-
20144384098
-
Adsorption of single-ring organic compounds to wood charcoals prepared under different thermochemical conditions
-
Zhu, D.; Kwon, S.; Pignatello, J. J. Adsorption of single-ring organic compounds to wood charcoals prepared under different thermochemical conditions Environ. Sci. Technol. 2005, 39 (11) 3990-3998
-
(2005)
Environ. Sci. Technol.
, vol.39
, Issue.11
, pp. 3990-3998
-
-
Zhu, D.1
Kwon, S.2
Pignatello, J.J.3
-
11
-
-
0037180678
-
Simulation study of the effect of the chemical heterogeneity of activated carbon on water adsorption
-
DOI 10.1021/la025846q
-
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 (Pubitemid 35458189)
-
(2002)
Langmuir
, vol.18
, Issue.24
, pp. 9296-9306
-
-
Jorge, M.1
Schumacher, C.2
Seaton, N.A.3
-
12
-
-
20544441990
-
Sequestration of carbon dioxide in coal with enhanced coalbed methane recovery - A review
-
White, C. M.; Smith, D. H.; Jones, K. L.; Goodman, A. L.; Jikich, S. A.; LaCount, R. B. Sequestration of carbon dioxide in coal with enhanced coalbed methane recovery - A review Energy Fuels 2005, 19, 659-724
-
(2005)
Energy Fuels
, vol.19
, pp. 659-724
-
-
White, C.M.1
Smith, D.H.2
Jones, K.L.3
Goodman, A.L.4
Jikich, S.A.5
Lacount, R.B.6
-
13
-
-
0000789070
-
Recent progress in coal structure research
-
Haenel, M. W. Recent progress in coal structure research FUEL 1992, 71, 1211-1223
-
(1992)
FUEL
, vol.71
, pp. 1211-1223
-
-
Haenel, M.W.1
-
14
-
-
0004239060
-
-
3 rd ed. Elsevier: Amsterdam, The Netherland.
-
Van Krevelen, D. W. Coal, 3 rd ed.; Elsevier: Amsterdam, The Netherland, 1991.
-
(1991)
Coal
-
-
Van Krevelen, D.W.1
-
15
-
-
0036540952
-
Gas molecule adsorption in carbon nanotubes and nanotube bundles
-
DOI 10.1088/0957-4484/13/2/312, PII S095744840230254X
-
Zhao, J. J.; Buldum, A.; Han, J.; Lu, J. P. Gas molecule adsorption in carbon nanotubes and nanotube bundles Nanotechnology 2002, 13 (2) 195-200 (Pubitemid 34504869)
-
(2002)
Nanotechnology
, vol.13
, Issue.2
, pp. 195-200
-
-
Zhao, J.1
Buldum, A.2
Han, J.3
Lu, J.P.4
-
17
-
-
0345415609
-
2 in carbon nanotube bundles
-
2 in carbon nanotube bundles J. Phys. Chem. B 2003, 107, 12930-12941
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 12930-12941
-
-
Matranga, C.1
Chen, L.2
Smith, M.3
Bittner, E.4
Johnson, J.K.5
Bockrath, B.6
-
20
-
-
24144499977
-
168 schwarzite: A combination of quantum mechanics and molecular simulation study
-
DOI 10.1021/ja0424575
-
2 by adsorption in C168 Schwarzite: A combination of quantum mechanics and molecular simulation study J. Am. Chem. Soc. 2005, 127, 11989-11997 (Pubitemid 41233724)
-
(2005)
Journal of the American Chemical Society
, vol.127
, Issue.34
, pp. 11989-11997
-
-
Jiang, J.1
Sandler, S.I.2
-
23
-
-
0346742485
-
Layering Behavior and Axial Phase Equilibria of Pure Water and Water + Carbon Dioxide Inside Single Wall Carbon Nanotubes
-
DOI 10.1021/nl0257566
-
Rivera, J. L.; McCabe, C.; Cummings, P. T. Layering behavior and axial phase equilibria of pure water and water + carbon dioxide inside single carbon nanotubes Nano Lett. 2002, 2, 1427-1431 (Pubitemid 135706540)
-
(2002)
Nano Letters
, vol.2
, Issue.12
, pp. 1427-1431
-
-
Rivera, J.L.1
McCabe, C.2
Cummings, P.T.3
-
24
-
-
33751019427
-
Dissociative adsorption of small molecules at vacancies on the graphite (0 0 0 1) surface
-
DOI 10.1016/j.carbon.2006.06.014, PII S000862230600340X
-
Allouche, A.; Ferro, Y. Dissociative adsorption of small molecules at vacancies on the graphite (0001) surface Carbon 2006, 44, 3320-3327 (Pubitemid 44740284)
-
(2006)
Carbon
, vol.44
, Issue.15
, pp. 3320-3327
-
-
Allouche, A.1
Ferro, Y.2
-
25
-
-
0037214238
-
2 adsorption on carbonaceous surface: A combined experimental and theoretical study
-
2 adsorption on carbonaceous surface: A combined experimental and theoretical study Carbon 2003, 41, 29-39
-
(2003)
Carbon
, vol.41
, pp. 29-39
-
-
Montoya, A.1
Mondragon, F.2
Truong, T.N.3
-
26
-
-
62149094348
-
2 on defective graphene sheets
-
2 on defective graphene sheets J. Phys. Chem. A 2009, 113 (2) 493-498
-
(2009)
J. Phys. Chem. A
, vol.113
, Issue.2
, pp. 493-498
-
-
Cabrera-Sanfelix, P.1
-
27
-
-
4344607594
-
Direct evidence for atomic defects in graphene layers
-
DOI 10.1038/nature02817
-
Hashimoto, A.; Suenaga, K.; Gloter, A.; Urita, K. Direct evidence for atomic defects in graphene layers Nature 2004, 430 (19) 870-873 (Pubitemid 39119210)
-
(2004)
Nature
, vol.430
, Issue.7002
, pp. 870-873
-
-
Hashimoto, A.1
Suenaga, K.2
Gloter, A.3
Urita, K.4
Iijima, S.5
-
28
-
-
38749134828
-
Raman spectra of graphite oxide and functionalized graphene sheets
-
DOI 10.1021/nl071822y
-
Kudin, K. N.; Ozbas, B.; Schniepp, H. C.; Prud'homme, R. K.; Aksay, I. A.; Car, R. Raman spectra of graphite oxide and functionalized graphene sheets Nano Lett. 2008, 8 (1) 36-41 (Pubitemid 351177772)
-
(2008)
Nano Letters
, vol.8
, Issue.1
, pp. 36-41
-
-
Kudin, K.N.1
Ozbas, B.2
Schniepp, H.C.3
Prud'homme, R.K.4
Aksay, I.A.5
Car, R.6
-
30
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
-
Kresse, G.; Furthmüller, J. Efficiency of ab initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput. Mater. Sci. 1996, 6, 15-50 (Pubitemid 126412269)
-
(1996)
Computational Materials Science
, vol.6
, Issue.1
, pp. 15-50
-
-
Kresse, G.1
Furthmuller, J.2
-
31
-
-
35949007146
-
Ab initio molecular dynamics for open-shell transition metals
-
Kresse, G.; Hafner, J. Ab initio molecular dynamics for open-shell transition metals Phys. Rev. B 1993, 48, 13115-13118
-
(1993)
Phys. Rev. B
, vol.48
, pp. 13115-13118
-
-
Kresse, G.1
Hafner, J.2
-
32
-
-
33750559983
-
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
-
DOI 10.1002/jcc.20495
-
Grimme, S. Semiempirical GGA-type density functional constructed with a long-range dispersion correction J. Comput. Chem. 2006, 27, 1787-1799 (Pubitemid 44672561)
-
(2006)
Journal of Computational Chemistry
, vol.27
, Issue.15
, pp. 1787-1799
-
-
Grimme, S.1
-
34
-
-
0011236321
-
From ultrasoft pseudopotentials to the projector augmented-wave method
-
Kresse, G.; Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method Phys. Rev. B 1999, 59, 1758-1775
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, D.2
-
35
-
-
1842816907
-
Special points for Brillouin-zone integrations
-
Monkhorst, H. J.; Pack, J. D. Special points for Brillouin-zone integrations Phys. Rev. B 1976, 13, 5188-5192
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188-5192
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
36
-
-
5744231221
-
The structure of water on the (0001) surface of graphite
-
Sanfelix, P. C.; Holloway, S.; Kolasinski, K. W.; Darling, G. R. The structure of water on the (0001) surface of graphite Surf. Sci. 2003, 532-535, 166-172
-
(2003)
Surf. Sci.
, vol.532-535
, pp. 166-172
-
-
Sanfelix, P.C.1
Holloway, S.2
Kolasinski, K.W.3
Darling, G.R.4
-
37
-
-
27144433552
-
Dissociation of water on defective carbon substrates
-
Kostov, M. K.; Santiso, E. E.; Gubbins, K. E.; Nardelli, M. B. Dissociation of water on defective carbon substrates Phys. Rev. Lett. 2005, 95, 136105
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 136105
-
-
Kostov, M.K.1
Santiso, E.E.2
Gubbins, K.E.3
Nardelli, M.B.4
-
38
-
-
77954751031
-
Stability and formation mechanisms of carbonyl- and hydroxyl-decorated holes in graphene oxide
-
Bagri, A.; Grantab, R.; Medhekar, N. V.; Shenoy, V. B. Stability and formation mechanisms of carbonyl- and hydroxyl-decorated holes in graphene oxide J. Phys. Chem. C 2010, 114, 12053-12061
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 12053-12061
-
-
Bagri, A.1
Grantab, R.2
Medhekar, N.V.3
Shenoy, V.B.4
-
40
-
-
0037895903
-
Object-oriented programming paradigms for molecular modeling
-
DOI 10.1080/0892702031000065719, PII U4CVNW4PBNUT1QHN
-
Gupta, A.; Chempath, S.; Sanborn, M. J.; Clark, L. A.; Snurr, R. Q. Object-oriented programming paradigms for molecular modeling Mol. Simul. 2003, 1 (29) 29-46 (Pubitemid 44121109)
-
(2003)
Molecular Simulation
, vol.29
, Issue.1
, pp. 29-46
-
-
Gupta, A.1
Chempath, S.2
Sanborn, M.J.3
Clark, L.A.4
Snurr, R.Q.5
-
41
-
-
84863079913
-
-
Springer Publishing: New York.
-
Wilcox, J. Carbon Capture; Springer Publishing: New York, 2012.
-
(2012)
Carbon Capture
-
-
Wilcox, J.1
-
42
-
-
0035389955
-
Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide and nitrogen
-
Potoff, J.; Siepmann, J. Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide and nitrogen AIChE J. 2001, 47, 1676-1682
-
(2001)
AIChE J.
, vol.47
, pp. 1676-1682
-
-
Potoff, J.1
Siepmann, J.2
-
44
-
-
78651404847
-
2 adsorption on carbon models of organic constituents of gas shale and coal
-
2 adsorption on carbon models of organic constituents of gas shale and coal Environ. Sci. Technol. 2011, 45 (2) 809-814
-
(2011)
Environ. Sci. Technol.
, vol.45
, Issue.2
, pp. 809-814
-
-
Liu, Y.1
Wilcox, J.2
-
45
-
-
0001642317
-
X-ray diffraction data for graphite to 20 GPa
-
Zhao, Y. X.; Spain, I. L. X-ray diffraction data for graphite to 20 GPa Phys. Rev. B: Condens. Matter 1989, 40, 993-997
-
(1989)
Phys. Rev. B: Condens. Matter
, vol.40
, pp. 993-997
-
-
Zhao, Y.X.1
Spain, I.L.2
-
47
-
-
23844495772
-
-
Springer: New York.
-
Lowell, S.; Shields, J. E.; Thomas, M. A., Characterization of Porous Solids and Powders: Surface Area, Pore Size and Density; Springer: New York, 2006.
-
(2006)
Characterization of Porous Solids and Powders: Surface Area, Pore Size and Density
-
-
Lowell, S.1
Shields, J.E.2
Thomas, M.A.3
-
48
-
-
77956018113
-
Carbon dioxide capture: Prospects for new materials
-
D' Alessandro, D.; Smit, B.; Long, J. R. Carbon dioxide capture: Prospects for new materials Angew. Chem., Int. Ed. 2010, 49, 6058-6082
-
(2010)
Angew. Chem., Int. Ed.
, vol.49
, pp. 6058-6082
-
-
Alessandro D, D.'.1
Smit, B.2
Long, J.R.3
|