-
2
-
-
84892371764
-
-
Investor Place Availabe from
-
Levitt A. Why chemical makers love cheap natural gas. Investor Place. 2012. Availabe from: http://www.investorplace.com/2012/ 03/Why-chemical-makers- love-cheap-natural-gas
-
(2012)
Why Chemical Makers Love Cheap Natural Gas
-
-
Levitt, A.1
-
3
-
-
84892374019
-
-
ArgusMedia, Inc Available from
-
ArgusMedia, Inc., Argus NGL shale gas special report. 2012, p. 1-4. Available from: http://www.argusmedia.com
-
(2012)
Argus NGL Shale Gas Special Report
, pp. 1-4
-
-
-
4
-
-
79955604097
-
Extraction of ethane from natural gas at high pressure by adsorption on Na-ETS-10
-
Avila AM, Yang F, Shi M, Kuznicki SM. Extraction of ethane from natural gas at high pressure by adsorption on Na-ETS-10. Chem Eng Sci. 2011;66:2991-2996.
-
(2011)
Chem Eng Sci.
, vol.66
, pp. 2991-2996
-
-
Avila, A.M.1
Yang, F.2
Shi, M.3
Kuznicki, S.M.4
-
5
-
-
79952249921
-
Extraction of ethane from natural gas by adsorption on modified ETS-10
-
Magnowski NBK, Avila AM, Lin CCH, Shi M, Kuznicki SM. Extraction of ethane from natural gas by adsorption on modified ETS-10. Chem Eng Sci. 2011;66:1697-1701.
-
(2011)
Chem Eng Sci.
, vol.66
, pp. 1697-1701
-
-
Magnowski, N.B.K.1
Avila, A.M.2
Lin, C.C.H.3
Shi, M.4
Kuznicki, S.M.5
-
6
-
-
0034746171
-
Adsorption of methane and ethane in zirconium oxide pillared clays
-
Pereira PR, Pires J, de Carvalho MB. Adsorption of methane and ethane in zirconium oxide pillared clays. Sep Purif Technol. 2001;21:237-246.
-
(2001)
Sep Purif Technol.
, vol.21
, pp. 237-246
-
-
Pereira, P.R.1
Pires, J.2
De Carvalho, M.B.3
-
7
-
-
84855301794
-
A microporous metal-organic framework for highly selective separation of acetylene, ethylene, and ethane from methane at room temperature, Chem
-
He Y, Zhang Z, Xiang S, Fronczek FR, Krishna R, Chen B. A microporous metal-organic framework for highly selective separation of acetylene, ethylene, and ethane from methane at room temperature, Chem. Eur J. 2012;18:613-619.
-
(2012)
Eur J.
, vol.18
, pp. 613-619
-
-
He, Y.1
Zhang, Z.2
Xiang, S.3
Fronczek, F.R.4
Krishna, R.5
Chen, B.6
-
8
-
-
84863011307
-
High separation capacity and selectivity of C2 hydrocarbons over methane within a microporous Metal-organic framework at room temperature
-
He Y, Zhang Z, Xiang S, Wu H, Fronczek FR, Zhou W, Krishna R, O'Keeffe M, Chen B. High separation capacity and selectivity of C2 hydrocarbons over methane within a microporous Metal-organic framework at room temperature. Chem Eur J. 2012;18:1901-1904.
-
(2012)
Chem Eur J.
, vol.18
, pp. 1901-1904
-
-
He, Y.1
Zhang, Z.2
Xiang, S.3
Wu, H.4
Fronczek, F.R.5
Zhou, W.6
Krishna, R.7
O'keeffe, M.8
Chen, B.9
-
9
-
-
65349158272
-
Selective gas adsorption and separation in metal-organic frameworks
-
Li JR, Kuppler RJ, Zhou HC. Selective gas adsorption and separation in metal-organic frameworks. Chem Soc Rev. 2009;38:1477-1504.
-
(2009)
Chem Soc Rev.
, vol.38
, pp. 1477-1504
-
-
Li, J.R.1
Kuppler, R.J.2
Zhou, H.C.3
-
10
-
-
39349109812
-
High-throughput synthesis of zeolitic imidazolate frameworks and application to CO2 capture
-
Banerjee R, Phan A, Wang B, Knobler C, Furukawa H, O'Keeffe M, Yaghi OM. High-throughput synthesis of zeolitic imidazolate frameworks and application to CO2 capture. Science. 2008;319:939-943.
-
(2008)
Science.
, vol.319
, pp. 939-943
-
-
Banerjee, R.1
Phan, A.2
Wang, B.3
Knobler, C.4
Furukawa, H.5
O'keeffe, M.6
Yaghi, O.M.7
-
11
-
-
43449107668
-
Colossal cages in zeolitic imidazolate frameworks as selective carbon dioxide reservoirs
-
Wang B, Cote AP, Furukawa H, O'Keeffe M, Yaghi OM. Colossal cages in zeolitic imidazolate frameworks as selective carbon dioxide reservoirs. Nature. 2008;453:207-211.
-
(2008)
Nature.
, vol.453
, pp. 207-211
-
-
Wang, B.1
Cote, A.P.2
Furukawa, H.3
O'keeffe, M.4
Yaghi, O.M.5
-
12
-
-
52449121242
-
Crystals as molecules: Postsynthesis covalent functionalization of zeolitic imidazolate frameworks
-
Morris W, Doonan CJ, Furukawa H, Banerjee R, Yaghi OM. Crystals as molecules: postsynthesis covalent functionalization of zeolitic imidazolate frameworks. J Am Chem Soc. 2008;130:12626-12627.
-
(2008)
J Am Chem Soc.
, vol.130
, pp. 12626-12627
-
-
Morris, W.1
Doonan, C.J.2
Furukawa, H.3
Banerjee, R.4
Yaghi, O.M.5
-
13
-
-
33745900775
-
Exceptional chemical and thermal stability of zeolitic imidazolate frameworks
-
Park KS, Ni Z, Cote AP, Choi JY, Huang RD, Uribe-Romo FJ, Chae HK, O'Keeffe M, Yaghi OM. Exceptional chemical and thermal stability of zeolitic imidazolate frameworks. Proc Natl Acad Sci. 2006;103:10186-10191.
-
(2006)
Proc Natl Acad Sci.
, vol.103
, pp. 10186-10191
-
-
Park, K.S.1
Ni, Z.2
Cote, A.P.3
Choi, J.Y.4
Huang, R.D.5
Uribe-Romo, F.J.6
Chae, H.K.7
O'keeffe, M.8
Yaghi, O.M.9
-
14
-
-
75449104346
-
Synthesis, structure, and carbon dioxide capture properties of Zeolitic Imidazolate Frameworks, Acc
-
Phan A, Doonan CJ, Uribe-Romo FJ, Knobler CB, O'Keeffe M, Yaghi OM. Synthesis, structure, and carbon dioxide capture properties of Zeolitic Imidazolate Frameworks, Acc. Chem Res. 2010;43:58-67.
-
(2010)
Chem Res.
, vol.43
, pp. 58-67
-
-
Phan, A.1
Doonan, C.J.2
Uribe-Romo, F.J.3
Knobler, C.B.4
O'keeffe, M.5
Yaghi, O.M.6
-
15
-
-
69949179565
-
Zeolite RHO-type net with the lightest elements
-
Wu T, Zhang J, Zhou C, Wang L, Bu X, Feng P. Zeolite RHO-type net with the lightest elements. J Am Chem Soc. 2009;131:6111-6113.
-
(2009)
J Am Chem Soc.
, vol.131
, pp. 6111-6113
-
-
Wu, T.1
Zhang, J.2
Zhou, C.3
Wang, L.4
Bu, X.5
Feng, P.6
-
16
-
-
58149085770
-
The reticular chemistry structure resource (RCSR) database of, and symbols for, crystal nets, Acc
-
O'Keeffe M, Peskov MA, Ramsden SJ, Yaghi OM. The reticular chemistry structure resource (RCSR) database of, and symbols for, crystal nets, Acc. Chem Res. 2008;41:1782-1789.
-
(2008)
Chem Res.
, vol.41
, pp. 1782-1789
-
-
O'keeffe, M.1
Peskov, M.A.2
Ramsden, S.J.3
Yaghi, O.M.4
-
17
-
-
78751665775
-
Atomistic simulations for adsorption, diffusion, and separation of gas mixtures in Zeolite Imidazolate Frameworks
-
Keskin S. Atomistic simulations for adsorption, diffusion, and separation of gas mixtures in Zeolite Imidazolate Frameworks. J Phys Chem C. 2011;115:800-807.
-
(2011)
J Phys Chem C.
, vol.115
, pp. 800-807
-
-
Keskin, S.1
-
18
-
-
77952063149
-
Molecular simulation studies of separation of CO2/ N2, CO2 /CH4, and CH4 /N2 by ZIFs
-
Liu B, Smit B. Molecular simulation studies of separation of CO2/ N2, CO2 /CH4, and CH4 /N2 by ZIFs. J Phys Chem C. 2010;114:8515-8522.
-
(2010)
J Phys Chem C.
, vol.114
, pp. 8515-8522
-
-
Liu, B.1
Smit, B.2
-
19
-
-
79955890018
-
Zeolitic imidazolate frameworks for separation of binary mixtures of CO2, CH4, N2 and H2: A computer simulation investigation, Micropor
-
Battisti A, Taioli S, Garberoglio G. Zeolitic imidazolate frameworks for separation of binary mixtures of CO2, CH4, N2 and H2: a computer simulation investigation, Micropor. Mesopor Mater. 2011;143:46-53.
-
(2011)
Mesopor Mater.
, vol.143
, pp. 46-53
-
-
Battisti, A.1
Taioli, S.2
Garberoglio, G.3
-
20
-
-
79959494205
-
Molecular simulations and theoretical predictions for adsorption and diffusion of CH4/H2 and CO2/CH4 mixtures in ZIFs
-
Liu JC, Keskin S, Sholl DS, Johnson JK. Molecular simulations and theoretical predictions for adsorption and diffusion of CH4/H2 and CO2/CH4 mixtures in ZIFs. J Phys Chem C. 2011;115:12560-12566.
-
(2011)
J Phys Chem C.
, vol.115
, pp. 12560-12566
-
-
Liu, J.C.1
Keskin, S.2
Sholl, D.S.3
Johnson, J.K.4
-
21
-
-
79251605978
-
Ethene/ethane separation by the MOF membrane ZIF-8: Molecular correlation of permeation, adsorption, diffusion
-
Bux H, Chmelik C, Krishna R, Caro J. Ethene/ethane separation by the MOF membrane ZIF-8: molecular correlation of permeation, adsorption, diffusion. J Membr Sci. 2011;369:284-289.
-
(2011)
J Membr Sci.
, vol.369
, pp. 284-289
-
-
Bux, H.1
Chmelik, C.2
Krishna, R.3
Caro, J.4
-
22
-
-
84857410383
-
Atomically detailed models for transport of gas mixtures in ZIF membranes and ZIF/polymer composite membranes
-
Atci E, Keskin S. Atomically detailed models for transport of gas mixtures in ZIF membranes and ZIF/polymer composite membranes. Ind Eng Chem Res. 2012;51:3091-3100.
-
(2012)
Ind Eng Chem Res.
, vol.51
, pp. 3091-3100
-
-
Atci, E.1
Keskin, S.2
-
23
-
-
79952032691
-
Improved H2 Storage in zeolitic imidazolate frameworks using Li + , Na + , and K + dopants, with an emphasis on delivery H2 uptake
-
Han SS, Choi S-H, Goddard WA. Improved H2 Storage in zeolitic imidazolate frameworks using Li + , Na + , and K + dopants, with an emphasis on delivery H2 uptake. J Phys Chem C. 2011;115:3507-3512.
-
(2011)
J Phys Chem C.
, vol.115
, pp. 3507-3512
-
-
Han, S.S.1
Choi, S.-H.2
Goddard, W.A.3
-
24
-
-
84876196496
-
Screening Hofmann compounds as CO2 sorbents: Nontraditional synthetic route to over 40 different pore-functionalized and flexible pillared cyanonickelates
-
Culp JT, Madden C, Kauffman K, Shi F, Matranga C. Screening Hofmann compounds as CO2 sorbents: nontraditional synthetic route to over 40 different pore-functionalized and flexible pillared cyanonickelates. Inorg Chem. 2013;52:4205-4216.
-
(2013)
Inorg Chem.
, vol.52
, pp. 4205-4216
-
-
Culp, J.T.1
Madden, C.2
Kauffman, K.3
Shi, F.4
Matranga, C.5
-
25
-
-
70349923047
-
The effect of pressure on ZIF-8: Increasing pore size with pressure and the formation of a high-pressure phase at 1.47 GPa
-
Moggach SA, Bennett TD, Cheetham AK. The effect of pressure on ZIF-8: increasing pore size with pressure and the formation of a high-pressure phase at 1.47 GPa. Angew Chem Int Ed. 2009;48:7087-7089.
-
(2009)
Angew Chem Int Ed.
, vol.48
, pp. 7087-7089
-
-
Moggach, S.A.1
Bennett, T.D.2
Cheetham, A.K.3
-
26
-
-
79958804684
-
Opening the gate: Framework flexibility in ZIF- 8 explored by experiments and simulations
-
Fairen-Jimenez D, Moggach SA, Wharmby MT, Wright PA, Parsons S, Duren T. Opening the gate: framework flexibility in ZIF- 8 explored by experiments and simulations. J Am Chem Soc. 2011;133:8900-8902.
-
(2011)
J Am Chem Soc.
, vol.133
, pp. 8900-8902
-
-
Fairen-Jimenez, D.1
Moggach, S.A.2
Wharmby, M.T.3
Wright, P.A.4
Parsons, S.5
Duren, T.6
-
27
-
-
84864982276
-
Flexibility and swing effect on the adsorption of energy-related gases on ZIF-8: Combined experimental and simulation study
-
Fairen-Jimenez D, Galvelis R, Torrisi A, Gellan AD, Wharmby MT, Wright PA, Mellot-Draznieks C, Duren T. Flexibility and swing effect on the adsorption of energy-related gases on ZIF-8: combined experimental and simulation study. Dalton Trans. 2012;41:10752-10762.
-
(2012)
Dalton Trans.
, vol.41
, pp. 10752-10762
-
-
Fairen-Jimenez, D.1
Galvelis, R.2
Torrisi, A.3
Gellan, A.D.4
Wharmby, M.T.5
Wright, P.A.6
Mellot-Draznieks, C.7
Duren, T.8
-
28
-
-
84860504047
-
Understanding gas-induced structural deformation of ZIF-8
-
Ania CO, Garcia-Perez E, Haro M, Gutierrez-Sevillano JJ, Valdes- Solis T, Parra JB, Calero S. Understanding gas-induced structural deformation of ZIF-8. J Phys Chem Lett. 2012;3:1159-1164.
-
(2012)
J Phys Chem Lett.
, vol.3
, pp. 1159-1164
-
-
Ania, C.O.1
Garcia-Perez, E.2
Haro, M.3
Gutierrez-Sevillano, J.J.4
Valdes- Solis, T.5
Parra, J.B.6
Calero, S.7
-
29
-
-
84855895474
-
Force field for molecular dynamics computations in flexible ZIF-8 framework
-
Zheng B, Sant M, Demontis P, Suffritti GB. Force field for molecular dynamics computations in flexible ZIF-8 framework. J Phys Chem C. 2012;116:933-938.
-
(2012)
J Phys Chem C.
, vol.116
, pp. 933-938
-
-
Zheng, B.1
Sant, M.2
Demontis, P.3
Suffritti, G.B.4
-
30
-
-
84863529089
-
Development of a force field for zeolitic imidazolate framework-8 with structural flexibility
-
Hu Z, Zhang L, Jiang J. Development of a force field for zeolitic imidazolate framework-8 with structural flexibility. J Chem Phys. 2012;136:244703-244709.
-
(2012)
J Chem Phys.
, vol.136
, pp. 244703-244709
-
-
Hu, Z.1
Zhang, L.2
Jiang, J.3
-
31
-
-
84867500137
-
Quantifying large effects of framework flexibility on diffusion in MOFs: CH4 and CO2 in ZIF-8
-
Haldoupis E, Watanabe T, Nair S, Sholl DS. Quantifying large effects of framework flexibility on diffusion in MOFs: CH4 and CO2 in ZIF-8. Chem Phys Chem. 2012;13:3449-3452.
-
(2012)
Chem Phys Chem.
, vol.13
, pp. 3449-3452
-
-
Haldoupis, E.1
Watanabe, T.2
Nair, S.3
Sholl, D.S.4
-
32
-
-
84855874203
-
On the impact of sorbent mobility on the sorbed phase equilibria and dynamics: A study of methane and carbon dioxide within the zeolite imidazolate framework-8
-
Pantatosaki E, Megariotis G, Pusch AK, Chmelik C, Stallmach F, Papadopoulos GK. On the impact of sorbent mobility on the sorbed phase equilibria and dynamics: a study of methane and carbon dioxide within the zeolite imidazolate framework-8. J Phys Chem C. 2012;116:201-207.
-
(2012)
J Phys Chem C.
, vol.116
, pp. 201-207
-
-
Pantatosaki, E.1
Megariotis, G.2
Pusch, A.K.3
Chmelik, C.4
Stallmach, F.5
Papadopoulos, G.K.6
-
33
-
-
84873967233
-
Adsorption and diffusion of small alcohols in zeolitic imidazolate frameworks ZIF-8 and ZIF- 90
-
Gee JA, Chung J, Nair S, Sholl DS. Adsorption and diffusion of small alcohols in zeolitic imidazolate frameworks ZIF-8 and ZIF- 90. J Phys Chem C. 2013;117:3169-3176.
-
(2013)
J Phys Chem C.
, vol.117
, pp. 3169-3176
-
-
Gee, J.A.1
Chung, J.2
Nair, S.3
Sholl, D.S.4
-
34
-
-
80053919153
-
CNT@Cu3(BTC)2 and metal-organic frameworks for separation of CO2/CH4 mixture
-
Xiang ZH, Peng X, Cheng X, Li XJ, Cao DP. CNT@Cu3(BTC)2 and metal-organic frameworks for separation of CO2/CH4 mixture. J Phys Chem C. 2011;115:19864-19871.
-
(2011)
J Phys Chem C.
, vol.115
, pp. 19864-19871
-
-
Xiang, Z.H.1
Peng, X.2
Cheng, X.3
Li, X.J.4
Cao, D.P.5
-
35
-
-
79959641528
-
Experimental and theoretical study of the adsorption of pure molecules and binary systems containing methane, carbon monoxide, carbon dioxide and nitrogen Application to the syngas generation
-
Heymans N, Alban B, Moreau S, De Weireld G. Experimental and theoretical study of the adsorption of pure molecules and binary systems containing methane, carbon monoxide, carbon dioxide and nitrogen. Application to the syngas generation. Chem Eng Sci. 2011;66:3850-3858.
-
(2011)
Chem Eng Sci.
, vol.66
, pp. 3850-3858
-
-
Heymans, N.1
Alban, B.2
Moreau, S.3
De Weireld, G.4
-
36
-
-
84858736061
-
Adsorptive separation of CO2/CH4/CO gas mixtures at high pressures
-
Krishna R. Adsorptive separation of CO2/CH4/CO gas mixtures at high pressures. Micropor Mesopor Mater. 2012;156:217-223.
-
(2012)
Micropor Mesopor Mater.
, vol.156
, pp. 217-223
-
-
Krishna, R.1
-
37
-
-
84861599703
-
Adsorption of CO2, CO, CH4 and N2 on a zinc based metal organic framework
-
Mishra P, Mekala S, Dreisbach F, Mandal B, Gumma S. Adsorption of CO2, CO, CH4 and N2 on a zinc based metal organic framework. Sep Purif Technol. 2012;94:124-130.
-
(2012)
Sep Purif Technol.
, vol.94
, pp. 124-130
-
-
Mishra, P.1
Mekala, S.2
Dreisbach, F.3
Mandal, B.4
Gumma, S.5
-
38
-
-
84860436212
-
Mixed gas adsorption of carbon dioxide and methane on a series of isoreticular microporous metal-organic frameworks based on 2-substituted imidazolate-4-amide-5-imidates
-
Debatin F, Mollmer J, Mondal SS, Behrens K, Moller A, Staudt R, Thomas A, Holdt HJ. Mixed gas adsorption of carbon dioxide and methane on a series of isoreticular microporous metal-organic frameworks based on 2-substituted imidazolate-4-amide-5-imidates. J Mater Chem. 2012;22:10221-10227.
-
(2012)
J Mater Chem.
, vol.22
, pp. 10221-10227
-
-
Debatin, F.1
Mollmer, J.2
Mondal, S.S.3
Behrens, K.4
Moller, A.5
Staudt, R.6
Thomas, A.7
Holdt, H.J.8
-
39
-
-
77749283301
-
Adsorption of CO2, CH4, N2O, and N2 on MOF-5, MOF-177, and Zeolite 5A
-
Saha D, Bao ZB, Jia F, Deng SG. Adsorption of CO2, CH4, N2O, and N2 on MOF-5, MOF-177, and Zeolite 5A. Environ Sci Technol. 2010;44:1820-1826.
-
(2010)
Environ Sci Technol.
, vol.44
, pp. 1820-1826
-
-
Saha, D.1
Bao, Z.B.2
Jia, F.3
Deng, S.G.4
-
40
-
-
0347541168
-
Adsorption and separation of ternary and quaternary mixtures of short linear alkanes in zeolites by molecular simulation
-
Lu LH, Wang Q, Liu YC. Adsorption and separation of ternary and quaternary mixtures of short linear alkanes in zeolites by molecular simulation. Langmuir. 2003;19:10617-10623.
-
(2003)
Langmuir.
, vol.19
, pp. 10617-10623
-
-
Lu, L.H.1
Wang, Q.2
Liu, Y.C.3
-
41
-
-
30744441315
-
Molecular simulation of adsorption and separation of binary mixtures for short linear alkanes in zeolite
-
Lu LH, Wang Q, Liu YC. Molecular simulation of adsorption and separation of binary mixtures for short linear alkanes in zeolite. Acta Chim Sinica. 2003;61:1232-1240.
-
(2003)
Acta Chim Sinica.
, vol.61
, pp. 1232-1240
-
-
Lu, L.H.1
Wang, Q.2
Liu, Y.C.3
-
42
-
-
57049154199
-
Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks
-
Martin-Calvo A, Garcia-Perez E, Castillo JM, Calero S. Molecular simulations for adsorption and separation of natural gas in IRMOF-1 and Cu-BTC metal-organic frameworks. Phys Chem Chem Phys. 2008;10:7085-7091.
-
(2008)
Phys Chem Chem Phys.
, vol.10
, pp. 7085-7091
-
-
Martin-Calvo, A.1
Garcia-Perez, E.2
Castillo, J.M.3
Calero, S.4
-
43
-
-
33745955182
-
Electrostatic-field-induced enhancement of gas mixture separation in metal-organic frameworks: A computational study
-
Yang QY, Zhong CL. Electrostatic-field-induced enhancement of gas mixture separation in metal-organic frameworks: a computational study. Chem Phys Chem. 2006;7:1417-1421.
-
(2006)
Chem Phys Chem.
, vol.7
, pp. 1417-1421
-
-
Yang, Q.Y.1
Zhong, C.L.2
-
44
-
-
33749233586
-
Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation
-
Jiang J, Sandler SI, Schenk M, Smit B. Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation. Phys Rev B. 2005;72:045447.
-
(2005)
Phys Rev B.
, vol.72
, pp. 045447
-
-
Jiang, J.1
Sandler, S.I.2
Schenk, M.3
Smit, B.4
-
45
-
-
61849132781
-
Identification of adsorption sites in Cu-BTC by experimentation and molecular simulation
-
Garcia-Perez E, Gascon J, Morales-Florez V, Castillo JM, Kapteijn F, Calero S. Identification of adsorption sites in Cu-BTC by experimentation and molecular simulation. Langmuir. 2009;25:1725-1731.
-
(2009)
Langmuir.
, vol.25
, pp. 1725-1731
-
-
Garcia-Perez, E.1
Gascon, J.2
Morales-Florez, V.3
Castillo, J.M.4
Kapteijn, F.5
Calero, S.6
-
46
-
-
84865189101
-
Large-scale computational screening of zeolites for ethane/ethene separation
-
Kim J, Lin LC, Martin RL, Swisher JA, Haranczyk M, Smit B. Large-scale computational screening of zeolites for ethane/ethene separation. Langmuir. 2012;28:11914-11919.
-
(2012)
Langmuir.
, vol.28
, pp. 11914-11919
-
-
Kim, J.1
Lin, L.C.2
Martin, R.L.3
Swisher, J.A.4
Haranczyk, M.5
Smit, B.6
-
47
-
-
75749120220
-
Adsorption of CO2, CH4, and N2 on zeolitic imidazolate frameworks: Experiments and simulations, Chem
-
Perez-Pellitero J, Amrouche H, Siperstein FR, Pirngruber G, Nieto- Draghi C, Chaplais G, Simon-Masseron A, Bazer-Bachi D, Peralta D, Bats N. Adsorption of CO2, CH4, and N2 on zeolitic imidazolate frameworks: experiments and simulations, Chem. Eur J. 2010;16:1560-1571.
-
(2010)
Eur J.
, vol.16
, pp. 1560-1571
-
-
Perez-Pellitero, J.1
Amrouche, H.2
Siperstein, F.R.3
Pirngruber, G.4
Nieto- Draghi, C.5
Chaplais, G.6
Simon-Masseron, A.7
Bazer-Bachi, D.8
Peralta, D.9
Bats, N.10
-
48
-
-
67749142088
-
Control of pore size and functionality in isoreticular zeolitic imidazolate frameworks and their carbon dioxide selective capture properties
-
Banerjee R, Furukawa H, Britt D, Knobler C, O'Keeffe M, Yaghi OM. Control of pore size and functionality in isoreticular zeolitic imidazolate frameworks and their carbon dioxide selective capture properties. J Am Chem Soc. 2009;131:3875-3877.
-
(2009)
J Am Chem Soc.
, vol.131
, pp. 3875-3877
-
-
Banerjee, R.1
Furukawa, H.2
Britt, D.3
Knobler, C.4
O'keeffe, M.5
Yaghi, O.M.6
-
49
-
-
79955429074
-
Effect of pore topology and accessibility on gas adsorption capacity in zeolitic-imidazolate frameworks: Bringing molecular simulation close to experiment
-
Babarao R, Dai S, Jiang DE. Effect of pore topology and accessibility on gas adsorption capacity in zeolitic-imidazolate frameworks: bringing molecular simulation close to experiment. J Phys Chem C. 2011;115:8126-8135.
-
(2011)
J Phys Chem C.
, vol.115
, pp. 8126-8135
-
-
Babarao, R.1
Dai, S.2
Jiang, D.E.3
-
50
-
-
0001061046
-
Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes
-
Martin MG, Siepmann JI. Transferable potentials for phase equilibria. 1. United-atom description of n-alkanes. J Phys Chem B. 1998;102:2569-2577.
-
(1998)
J Phys Chem B.
, vol.102
, pp. 2569-2577
-
-
Martin, M.G.1
Siepmann, J.I.2
-
51
-
-
0042041206
-
UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
-
Rappe AK, Casewit CJ, Colwell KS, Goddard WA, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J Am Chem Soc. 1992;114:10024-10035.
-
(1992)
J Am Chem Soc.
, vol.114
, pp. 10024-10035
-
-
Rappe, A.K.1
Casewit, C.J.2
Colwell, K.S.3
Goddard, W.A.4
Skiff, W.M.5
-
52
-
-
77954720035
-
Molecular simulation for adsorption and separation of CH4/H2 in zeolitic imidazolate frameworks
-
Guo HC, Shi F, Ma ZF, Liu XQ. Molecular simulation for adsorption and separation of CH4/H2 in zeolitic imidazolate frameworks. J Phys Chem C. 2010;114:12158-12165.
-
(2010)
J Phys Chem C.
, vol.114
, pp. 12158-12165
-
-
Guo, H.C.1
Shi, F.2
Ma, Z.F.3
Liu, X.Q.4
-
53
-
-
77249094683
-
Grand-canonical Monte Carlo and molecular-dynamics simulations of carbon-dioxide and carbonmonoxide adsorption in zeolitic imidazolate framework materials
-
Sirjoosingh A, Alavi S, Woo TK. Grand-canonical Monte Carlo and molecular-dynamics simulations of carbon-dioxide and carbonmonoxide adsorption in zeolitic imidazolate framework materials. J Phys Chem C. 2010;114:2171-2178.
-
(2010)
J Phys Chem C.
, vol.114
, pp. 2171-2178
-
-
Sirjoosingh, A.1
Alavi, S.2
Woo, T.K.3
-
54
-
-
65249181545
-
Understanding the adsorption and diffusion of carbon dioxide in zeolitic imidazolate frameworks: A molecular simulation study
-
Liu DH, Zheng CC, Yang QY, Zhong CL. Understanding the adsorption and diffusion of carbon dioxide in zeolitic imidazolate frameworks: a molecular simulation study. J Phys Chem C. 2009;113:5004-5009.
-
(2009)
J Phys Chem C.
, vol.113
, pp. 5004-5009
-
-
Liu, D.H.1
Zheng, C.C.2
Yang, Q.Y.3
Zhong, C.L.4
-
55
-
-
33846863576
-
Storage and separation of CO2 and CH4 in silicalite, C-168 schwarzite, and IRMOF-1: A comparative study from Monte Carlo simulation
-
Babarao R, Hu ZQ, Jiang JW, Chempath S, Sandler SI. Storage and separation of CO2 and CH4 in silicalite, C-168 schwarzite, and IRMOF-1: a comparative study from Monte Carlo simulation. Langmuir. 2007;23:659-666.
-
(2007)
Langmuir.
, vol.23
, pp. 659-666
-
-
Babarao, R.1
Hu, Z.Q.2
Jiang, J.W.3
Chempath, S.4
Sandler, S.I.5
-
56
-
-
0037895903
-
Objectoriented programming paradigms for molecular modeling
-
Gupta A, Chempath S, Sanborn MJ, Clark LA, Snurr RQ. Objectoriented programming paradigms for molecular modeling. Mol Simul. 2003;29:29-46.
-
(2003)
Mol Simul.
, vol.29
, pp. 29-46
-
-
Gupta, A.1
Chempath, S.2
Sanborn, M.J.3
Clark, L.A.4
Snurr, R.Q.5
-
58
-
-
33745740528
-
Monte Carlo simulation for the adsorption and separation of linear and branched alkanes in IRMOF-1
-
Jiang JW, Sandler SI. Monte Carlo simulation for the adsorption and separation of linear and branched alkanes in IRMOF-1. Langmuir. 2006;22:5702-5707.
-
(2006)
Langmuir.
, vol.22
, pp. 5702-5707
-
-
Jiang, J.W.1
Sandler, S.I.2
-
59
-
-
79952828656
-
Adsorption of gases in microporous organic molecular crystal, a multiscale computational investigation
-
Li WL, Zhang JP, Guo HC, Gahungu G. Adsorption of gases in microporous organic molecular crystal, a multiscale computational investigation. J Phys Chem C. 2011;115:4935-4942.
-
(2011)
J Phys Chem C.
, vol.115
, pp. 4935-4942
-
-
Li, W.L.1
Zhang, J.P.2
Guo, H.C.3
Gahungu, G.4
-
60
-
-
39849092567
-
Adsorption and separation of binary mixtures in a metal-organic framework Cu-BTC: A computational study
-
Wang SY, Yang QY, Zhong CL. Adsorption and separation of binary mixtures in a metal-organic framework Cu-BTC: a computational study. Sep Purif Technol. 2008;60:30-35.
-
(2008)
Sep Purif Technol.
, vol.60
, pp. 30-35
-
-
Wang, S.Y.1
Yang, Q.Y.2
Zhong, C.L.3
-
61
-
-
0035833312
-
Adsorption of guest molecules in zeolitic materials: Computational aspects
-
Fuchs AH, Cheetham AK. Adsorption of guest molecules in zeolitic materials: computational aspects. J Phys Chem B. 2001;105:7375-7383.
-
(2001)
J Phys Chem B.
, vol.105
, pp. 7375-7383
-
-
Fuchs, A.H.1
Cheetham, A.K.2
-
62
-
-
33749683984
-
Molecular simulation of carbon dioxide/ methane/hydrogen mixture adsorption in metal-organic frameworks
-
Yang QY, Zhong CL. Molecular simulation of carbon dioxide/ methane/hydrogen mixture adsorption in metal-organic frameworks. J Phys Chem B. 2006;110:17776-17783.
-
(2006)
J Phys Chem B.
, vol.110
, pp. 17776-17783
-
-
Yang, Q.Y.1
Zhong, C.L.2
-
63
-
-
0027810974
-
Prediction of adsorption of aromatic hydrocarbons in silicalite from grand canonical Monte Carlo simulations with biased insertions
-
Snurr RQ, Bell AT, Theodorou DN. Prediction of adsorption of aromatic hydrocarbons in silicalite from grand canonical Monte Carlo simulations with biased insertions. J Phys Chem. 1993;97:13742-13752.
-
(1993)
J Phys Chem.
, vol.97
, pp. 13742-13752
-
-
Snurr, R.Q.1
Bell, A.T.2
Theodorou, D.N.3
-
64
-
-
0000676438
-
Molecular simulation of adsorption: Gibbs dividing surface and comparison with experiment
-
Talu O, Myers AL. Molecular simulation of adsorption: Gibbs dividing surface and comparison with experiment. AIChE J. 2001;47:1160-1168.
-
(2001)
AIChE J.
, vol.47
, pp. 1160-1168
-
-
Talu, O.1
Myers, A.L.2
-
65
-
-
0037127013
-
Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage
-
Eddaoudi M, Kim J, Rosi N, Vodak D, Wachter J, O'Keeffe M, Yaghi OM. Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage. Science. 2002;295:469-472.
-
(2002)
Science.
, vol.295
, pp. 469-472
-
-
Eddaoudi, M.1
Kim, J.2
Rosi, N.3
Vodak, D.4
Wachter, J.5
O'keeffe, M.6
Yaghi, O.M.7
-
66
-
-
0024142593
-
Monte Carlo simulations on the relation between the structure and properties of zeolites: The adsorption of small hydrocarbons
-
Smit B, den Ouden C. Monte Carlo simulations on the relation between the structure and properties of zeolites: the adsorption of small hydrocarbons. J Phys Chem. 1988;92:7169-7171.
-
(1988)
J Phys Chem.
, vol.92
, pp. 7169-7171
-
-
Smit, B.1
Den Ouden, C.2
-
67
-
-
65249151778
-
Molecular simulation study of the stepped behaviors of gas adsorption in two-dimensional Covalent Organic Frameworks
-
Yang Q, Zhong C. Molecular simulation study of the stepped behaviors of gas adsorption in two-dimensional Covalent Organic Frameworks. Langmuir. 2009;25:2302-2308.
-
(2009)
Langmuir.
, vol.25
, pp. 2302-2308
-
-
Yang, Q.1
Zhong, C.2
-
68
-
-
80053260428
-
Effect of temperature on gas adsorption and separation in ZIF-8: A combined experimental and molecular simulation study
-
Huang HL, Zhang WJ, Liu DH, Liu B, Chen GJ, Zhong CL. Effect of temperature on gas adsorption and separation in ZIF-8: a combined experimental and molecular simulation study. Chem Eng Sci. 2011;66:6297-6305.
-
(2011)
Chem Eng Sci.
, vol.66
, pp. 6297-6305
-
-
Huang, H.L.1
Zhang, W.J.2
Liu, D.H.3
Liu, B.4
Chen, G.J.5
Zhong, C.L.6
-
69
-
-
67049107658
-
Fuel gas storage and separations by metal-organic frameworks: Simulated adsorption isotherms for H2 and CH4 and their equimolar mixture
-
Gallo M, Glossman-Mitnik D. Fuel gas storage and separations by metal-organic frameworks: simulated adsorption isotherms for H2 and CH4 and their equimolar mixture. J Phys Chem C. 2009;113:6634-6642.
-
(2009)
J Phys Chem C.
, vol.113
, pp. 6634-6642
-
-
Gallo, M.1
Glossman-Mitnik, D.2
-
70
-
-
53549111615
-
Enhanced adsorption selectivity of hydrogen/methane mixtures in Metalorganic frameworks with interpenetration: A molecular simulation study
-
Liu B, Yang Q, Xue C, Zhong C, Chen B, Smit B. Enhanced adsorption selectivity of hydrogen/methane mixtures in Metalorganic frameworks with interpenetration: a molecular simulation study. J Phys Chem C. 2008;112:9854-9860.
-
(2008)
J Phys Chem C.
, vol.112
, pp. 9854-9860
-
-
Liu, B.1
Yang, Q.2
Xue, C.3
Zhong, C.4
Chen, B.5
Smit, B.6
-
71
-
-
0000434873
-
Effect of loading and nanopore shape on binary adsorption selectivity
-
Keffer D, Davis HT, McCormick AV. Effect of loading and nanopore shape on binary adsorption selectivity. J Phys Chem. 1996;100:638-645.
-
(1996)
J Phys Chem.
, vol.100
, pp. 638-645
-
-
Keffer, D.1
Davis, H.T.2
McCormick, A.V.3
-
72
-
-
77956302248
-
The osmotic framework adsorbed solution theory: Predicting mixture coadsorption in flexible nanoporous materials
-
Coudert FX. The osmotic framework adsorbed solution theory: predicting mixture coadsorption in flexible nanoporous materials. Phys Chem Chem Phys. 2010;12:10904-10913.
-
(2010)
Phys Chem Chem Phys.
, vol.12
, pp. 10904-10913
-
-
Coudert, F.X.1
-
73
-
-
34249899424
-
Examining the accuracy of ideal adsorbed solution theory without curve-fitting using transition matrix Monte Carlo simulations
-
Chen H, Sholl DS. Examining the accuracy of ideal adsorbed solution theory without curve-fitting using transition matrix Monte Carlo simulations. Langmuir. 2007;23:6431-6437.
-
(2007)
Langmuir.
, vol.23
, pp. 6431-6437
-
-
Chen, H.1
Sholl, D.S.2
-
74
-
-
0037158993
-
Atomistic simulations of CO2 and N2 adsorption in silica zeolites: The impact of pore size and shape
-
Goj A, Sholl DS, Akten ED, Kohen D. Atomistic simulations of CO2 and N2 adsorption in silica zeolites: the impact of pore size and shape. J Phys Chem B. 2002;106:8367-8375.
-
(2002)
J Phys Chem B.
, vol.106
, pp. 8367-8375
-
-
Goj, A.1
Sholl, D.S.2
Akten, E.D.3
Kohen, D.4
-
75
-
-
1842507427
-
Effects of molecular siting and adsorbent heterogeneity on the ideality of adsorption equilibria
-
Murthi M, Snurr RQ. Effects of molecular siting and adsorbent heterogeneity on the ideality of adsorption equilibria. Langmuir. 2004;20:2489-2497
-
(2004)
Langmuir.
, vol.20
, pp. 2489-2497
-
-
Murthi, M.1
Snurr, R.Q.2
|