-
1
-
-
18844459183
-
Gas phase chemistry in catalytic combustion of methane/air mixtures over platinum at pressures of 1 to 16 bar
-
Reinke M., Mantzaras J., Bombach R., Schenker S., Inauen A. Gas phase chemistry in catalytic combustion of methane/air mixtures over platinum at pressures of 1 to 16 bar. Combust. Flame 2005, 141:448-468.
-
(2005)
Combust. Flame
, vol.141
, pp. 448-468
-
-
Reinke, M.1
Mantzaras, J.2
Bombach, R.3
Schenker, S.4
Inauen, A.5
-
2
-
-
0242656443
-
A CFD study of propane/air micro flame stability
-
Norton D.G., Vlachos D.G. A CFD study of propane/air micro flame stability. Chem. Eng. Sci. 2003, 58:4871-4882.
-
(2003)
Chem. Eng. Sci.
, vol.58
, pp. 4871-4882
-
-
Norton, D.G.1
Vlachos, D.G.2
-
3
-
-
84857372770
-
Methane combustion activity of Pd-PdOx-Pt/Al2O3 catalyst: The role of platinum promoter
-
Kinnunen N.M., Hirvi J.T., Suvanto M., Pakkanen T.A. Methane combustion activity of Pd-PdOx-Pt/Al2O3 catalyst: The role of platinum promoter. J. Mol. Catal. A: Chem. 2012, 356:20-28.
-
(2012)
J. Mol. Catal. A: Chem.
, vol.356
, pp. 20-28
-
-
Kinnunen, N.M.1
Hirvi, J.T.2
Suvanto, M.3
Pakkanen, T.A.4
-
4
-
-
79958222604
-
Propane oxidation over Pt/SrTiO3 nanocuboids
-
Enterkin J.A., Setthapun W., Elam J.W., Christensen S.T., Rabuffetti F.A., Marks L.D., Stair P.C., Poeppelmeier K.R., Marshall C.L. Propane oxidation over Pt/SrTiO3 nanocuboids. ACS Catal. 2011, 1:629-635.
-
(2011)
ACS Catal.
, vol.1
, pp. 629-635
-
-
Enterkin, J.A.1
Setthapun, W.2
Elam, J.W.3
Christensen, S.T.4
Rabuffetti, F.A.5
Marks, L.D.6
Stair, P.C.7
Poeppelmeier, K.R.8
Marshall, C.L.9
-
5
-
-
0037044583
-
Complete oxidation of methane at low temperature over noble metal based catalysts: a review
-
Gélin P., Primet M. Complete oxidation of methane at low temperature over noble metal based catalysts: a review. Appl. Catal. B: Environ. 2002, 39:1-37.
-
(2002)
Appl. Catal. B: Environ.
, vol.39
, pp. 1-37
-
-
Gélin, P.1
Primet, M.2
-
6
-
-
47249154704
-
A review of catalytic partial oxidation of methane to synthesis gas with emphasis on reaction mechanisms over transition metal catalysts
-
Enger B.C., Lødeng R., Holmen A. A review of catalytic partial oxidation of methane to synthesis gas with emphasis on reaction mechanisms over transition metal catalysts. Appl. Catal. A: Gen. 2008, 346:1-27.
-
(2008)
Appl. Catal. A: Gen.
, vol.346
, pp. 1-27
-
-
Enger, B.C.1
Lødeng, R.2
Holmen, A.3
-
7
-
-
71749087159
-
Dominant reaction pathways in the catalytic partial oxidation of CH4 on Rh
-
Maestri M., Vlachos D.G., Beretta A., Forzatti P., Groppi G., Tronconi E. Dominant reaction pathways in the catalytic partial oxidation of CH4 on Rh. Top. Catal. 2009, 52:1983-1988.
-
(2009)
Top. Catal.
, vol.52
, pp. 1983-1988
-
-
Maestri, M.1
Vlachos, D.G.2
Beretta, A.3
Forzatti, P.4
Groppi, G.5
Tronconi, E.6
-
8
-
-
80053347491
-
Microscale combustion: technology development and fundamental research
-
Ju Y., Maruta K. Microscale combustion: technology development and fundamental research. Prog. Energy Combust. Sci. 2011, 37:669-715.
-
(2011)
Prog. Energy Combust. Sci.
, vol.37
, pp. 669-715
-
-
Ju, Y.1
Maruta, K.2
-
9
-
-
84923772376
-
Catalytic combustion of methane, methanol, and ethanol in microscale combustors with Pt/ZSM-5 packed beds
-
Deng C., Yang W.J., Zhou J.H., Liu Z.K., Wang Y., Cen K.F. Catalytic combustion of methane, methanol, and ethanol in microscale combustors with Pt/ZSM-5 packed beds. Fuel 2015, 150:339-346.
-
(2015)
Fuel
, vol.150
, pp. 339-346
-
-
Deng, C.1
Yang, W.J.2
Zhou, J.H.3
Liu, Z.K.4
Wang, Y.5
Cen, K.F.6
-
10
-
-
84868340259
-
Kinetics of methane combustion over Pt and Pt-Pd catalysts
-
Abbasi R., Wu L., Wanke S.E., Hayes R.E. Kinetics of methane combustion over Pt and Pt-Pd catalysts. Chem. Eng. Res. Des. 2012, 90:1930-1942.
-
(2012)
Chem. Eng. Res. Des.
, vol.90
, pp. 1930-1942
-
-
Abbasi, R.1
Wu, L.2
Wanke, S.E.3
Hayes, R.E.4
-
11
-
-
84908250695
-
Thermal and chemical effects of hydrogen addition on catalytic micro-combustion of methane-air
-
Yan Y.F., Tang W.M., Zhang L., Pan W.L., Li L.Y. Thermal and chemical effects of hydrogen addition on catalytic micro-combustion of methane-air. Int. J. Hydrogen Energy 2014, 39:19204-19211.
-
(2014)
Int. J. Hydrogen Energy
, vol.39
, pp. 19204-19211
-
-
Yan, Y.F.1
Tang, W.M.2
Zhang, L.3
Pan, W.L.4
Li, L.Y.5
-
12
-
-
84882566065
-
CFD modeling of catalyst pellet for oxidative coupling of methane: Heat transfer and reaction
-
Maghrebi R., Yaghobi N., Seyednejadian S., Tabatabaei M.H. CFD modeling of catalyst pellet for oxidative coupling of methane: Heat transfer and reaction. Particuology 2013, 11:506-513.
-
(2013)
Particuology
, vol.11
, pp. 506-513
-
-
Maghrebi, R.1
Yaghobi, N.2
Seyednejadian, S.3
Tabatabaei, M.H.4
-
13
-
-
70549084886
-
Density functional theory for transition metals and transition metal chemistry
-
Cramer C.J., Truhlar D.G. Density functional theory for transition metals and transition metal chemistry. Phys. Chem. Chem. Phys. 2009, 11:10757-10816.
-
(2009)
Phys. Chem. Chem. Phys.
, vol.11
, pp. 10757-10816
-
-
Cramer, C.J.1
Truhlar, D.G.2
-
14
-
-
52649147581
-
In-silico investigations in heterogeneous catalysis-combustion and synthesis of small alkanes
-
Inderwildi O.R., Jenkins S.J. In-silico investigations in heterogeneous catalysis-combustion and synthesis of small alkanes. Chem. Soc. Rev. 2008, 37:2274-2309.
-
(2008)
Chem. Soc. Rev.
, vol.37
, pp. 2274-2309
-
-
Inderwildi, O.R.1
Jenkins, S.J.2
-
15
-
-
84908043089
-
Alkane activation on crystalline metal oxide surface
-
Weaver J.F., Hakanoglu C., Antony A., Asthagiri A. Alkane activation on crystalline metal oxide surface. Chem. Soc. Rev. 2014, 43:7536-7547.
-
(2014)
Chem. Soc. Rev.
, vol.43
, pp. 7536-7547
-
-
Weaver, J.F.1
Hakanoglu, C.2
Antony, A.3
Asthagiri, A.4
-
16
-
-
84879124884
-
Surface chemistry of late transition metal oxides
-
Weaver J.F. Surface chemistry of late transition metal oxides. Chem. Rev. 2013, 113:4164-4215.
-
(2013)
Chem. Rev.
, vol.113
, pp. 4164-4215
-
-
Weaver, J.F.1
-
17
-
-
84881088044
-
CH4 combustion cycles at Pd/Al2O3-important role of support and oxygen access
-
Czekaj L., Kacprzak K.A., Mantzaras J. CH4 combustion cycles at Pd/Al2O3-important role of support and oxygen access. Phys. Chem. Chem. Phys. 2013, 15:11368-11374.
-
(2013)
Phys. Chem. Chem. Phys.
, vol.15
, pp. 11368-11374
-
-
Czekaj, L.1
Kacprzak, K.A.2
Mantzaras, J.3
-
18
-
-
84907702118
-
DFT study of reaction processes of methane combustion on PbO(100)
-
Dianat A., Seriani N.R., Ciacchi L.C., Bobeth M., Cuniberti G. DFT study of reaction processes of methane combustion on PbO(100). Chem. Phys. 2014, 443:53-60.
-
(2014)
Chem. Phys.
, vol.443
, pp. 53-60
-
-
Dianat, A.1
Seriani, N.R.2
Ciacchi, L.C.3
Bobeth, M.4
Cuniberti, G.5
-
19
-
-
33746840117
-
Energentic of methane dissociative adsorption on Rh{111} from DFT calculations
-
Bunnik B.S., Kramer G.J. Energentic of methane dissociative adsorption on Rh{111} from DFT calculations. J. Catal. 2006, 242:309-318.
-
(2006)
J. Catal.
, vol.242
, pp. 309-318
-
-
Bunnik, B.S.1
Kramer, G.J.2
-
20
-
-
84877674557
-
DFT studies for activation of C-H bond in methane by gas-phase Rhn+ (n=1-3)
-
Liu Y.Y., Geng Z.Y., Wang Y.C., Liu J.L., Hou X.F. DFT studies for activation of C-H bond in methane by gas-phase Rhn+ (n=1-3). Comput. Theor. Chem. 2013, 1015:52-63.
-
(2013)
Comput. Theor. Chem.
, vol.1015
, pp. 52-63
-
-
Liu, Y.Y.1
Geng, Z.Y.2
Wang, Y.C.3
Liu, J.L.4
Hou, X.F.5
-
21
-
-
0002585263
-
Methane activation by platinum cluster ions in the gas phase: effects of cluster charge on the Pt4 tetramer
-
Achatz U., Berg C., Joos S., Fox B.S., Beyer M.K., Niedner-Schatteburg G., Bondybey V.E. Methane activation by platinum cluster ions in the gas phase: effects of cluster charge on the Pt4 tetramer. Chem. Phys. Lett. 2000, 320:53-58.
-
(2000)
Chem. Phys. Lett.
, vol.320
, pp. 53-58
-
-
Achatz, U.1
Berg, C.2
Joos, S.3
Fox, B.S.4
Beyer, M.K.5
Niedner-Schatteburg, G.6
Bondybey, V.E.7
-
23
-
-
84887448473
-
Density functional periodic study of the dehydrogenation of methane on Pd(111) surface
-
Jiang Z., Li L., Xu J., Fang T. Density functional periodic study of the dehydrogenation of methane on Pd(111) surface. Appl. Surf. Sci. 2013, 286:115-120.
-
(2013)
Appl. Surf. Sci.
, vol.286
, pp. 115-120
-
-
Jiang, Z.1
Li, L.2
Xu, J.3
Fang, T.4
-
24
-
-
84899068194
-
Recent advances in heterogeneous selective oxidation catalysis for sustainable chemistry
-
Guo Z., Liu B., Zhang Q.H., Deng W.P., Wang Y., Yang Y.H. Recent advances in heterogeneous selective oxidation catalysis for sustainable chemistry. Chem. Soc. Rev. 2014, 43:3480-3524.
-
(2014)
Chem. Soc. Rev.
, vol.43
, pp. 3480-3524
-
-
Guo, Z.1
Liu, B.2
Zhang, Q.H.3
Deng, W.P.4
Wang, Y.5
Yang, Y.H.6
-
25
-
-
33846103884
-
Methane oxidation mechanism on Pt(111): A cluster model DFT study
-
Psofogiannakis G., St-Amant A., Ternan M. Methane oxidation mechanism on Pt(111): A cluster model DFT study. J. Phys. Chem. B 2006, 110:24593-24605.
-
(2006)
J. Phys. Chem. B
, vol.110
, pp. 24593-24605
-
-
Psofogiannakis, G.1
St-Amant, A.2
Ternan, M.3
-
26
-
-
84859952222
-
New insights into the two catalyst cycles of the Pt+-catalyzed oxidation of methane by oxygen: Spin-orbit coupling, spin-inversion probabilities, and kinetic information
-
Xu X., Li Y., Qu B.H., Du L. New insights into the two catalyst cycles of the Pt+-catalyzed oxidation of methane by oxygen: Spin-orbit coupling, spin-inversion probabilities, and kinetic information. Comput. Theor. Chem. 2012, 989:75-85.
-
(2012)
Comput. Theor. Chem.
, vol.989
, pp. 75-85
-
-
Xu, X.1
Li, Y.2
Qu, B.H.3
Du, L.4
-
27
-
-
15744392734
-
Mechanisms of methane activation and transformation on molybdenum oxide based catalysts
-
Fu G., Xu X., Lu X., Wan H.L. Mechanisms of methane activation and transformation on molybdenum oxide based catalysts. J. Am. Chem. Soc. 2005, 127:3989-3996.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 3989-3996
-
-
Fu, G.1
Xu, X.2
Lu, X.3
Wan, H.L.4
-
28
-
-
84930952691
-
-
Gaussian Inc, Wallingford CT, 2013. Gaussian 09, Revision D.01.
-
M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian Inc, Wallingford CT, 2013. Gaussian 09, Revision D.01.
-
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery Jr, J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Keith, T.38
Kobayashi, R.39
Normand, J.40
Raghavachari, K.41
Rendell, A.42
Burant, J.C.43
Iyengar, S.S.44
Tomasi, J.45
Cossi, M.46
Rega, N.47
Millam, J.M.48
Klene, M.49
Knox, J.E.50
Cross, J.B.51
Bakken, V.52
Adamo, C.53
Jaramillo, J.54
Gomperts, R.55
Stratmann, R.E.56
Yazyev, O.57
Austin, A.J.58
Cammi, R.59
Pomelli, C.60
Ochterski, J.W.61
Martin, R.L.62
Morokuma, K.63
Zakrzewski, V.G.64
Voth, G.A.65
Salvador, P.66
Dannenberg, J.J.67
Dapprich, S.68
Daniels, A.D.69
Farkas, O.70
Foresman, J.B.71
Ortiz, J.V.72
Cioslowski, J.73
Fox, D.J.74
more..
-
29
-
-
0000189651
-
Density-functional thermochemistry. III. The role of exact exchange
-
Becke A.D. Density-functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 1993, 98:5648-5652.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
30
-
-
4243553426
-
Density-functional exchange-energy approximation with correct asymptotic behavior
-
Becke A.D. Density-functional exchange-energy approximation with correct asymptotic behavior. Phys. Rev. A 1988, 38:3098-3100.
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098-3100
-
-
Becke, A.D.1
-
31
-
-
33745770836
-
Ab inito effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
-
Hay P.J., Wadt W.R. Ab inito effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg. J. Chem. Phys. 1985, 82:270-283.
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 270-283
-
-
Hay, P.J.1
Wadt, W.R.2
-
32
-
-
36549095692
-
An improved algorithm for reaction path following
-
Gonzalez C., Schlegel H.B. An improved algorithm for reaction path following. J. Chem. Phys. 1989, 90:2154-2161.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 2154-2161
-
-
Gonzalez, C.1
Schlegel, H.B.2
-
33
-
-
84888403400
-
An application of the reaction class transition state theory to the kinetics of hydrogen abstraction reactions of hydrogen with methyl esters at the methoxy group
-
Wang Q.D., Wang X.J., Kang G.J. An application of the reaction class transition state theory to the kinetics of hydrogen abstraction reactions of hydrogen with methyl esters at the methoxy group. Comput. Theor. Chem. 2014, 1027:103-111.
-
(2014)
Comput. Theor. Chem.
, vol.1027
, pp. 103-111
-
-
Wang, Q.D.1
Wang, X.J.2
Kang, G.J.3
-
34
-
-
3042634109
-
Mechanism and kinetics of the n-propyl bromide and OH reaction using integrated ab initio methods and variational transition-state theory
-
Rangel C., Navarrete M., Corchado J.C., Espinosa-García J. Mechanism and kinetics of the n-propyl bromide and OH reaction using integrated ab initio methods and variational transition-state theory. J. Mol. Struc-Theochem. 2004, 679:207-224.
-
(2004)
J. Mol. Struc-Theochem.
, vol.679
, pp. 207-224
-
-
Rangel, C.1
Navarrete, M.2
Corchado, J.C.3
Espinosa-García, J.4
-
35
-
-
62549141061
-
Numerical investigation of premixed catalytic combustion of methane in micro-combustor
-
Zhang L., Yan Y.F., Li L.X., Ran J.Y. Numerical investigation of premixed catalytic combustion of methane in micro-combustor. Chinese J. Chem. Eng. 2009, 60:627-633.
-
(2009)
Chinese J. Chem. Eng.
, vol.60
, pp. 627-633
-
-
Zhang, L.1
Yan, Y.F.2
Li, L.X.3
Ran, J.Y.4
-
36
-
-
84904415904
-
Mechanistic insights into hydride transfer for catalytic hydrogenation of CO2 with cobalt complexes
-
Kumar N., Camaioni D.M., Dupuis M., Raugei S., Appel A.M. Mechanistic insights into hydride transfer for catalytic hydrogenation of CO2 with cobalt complexes. Dalton Trans. 2014, 43:11803-11806.
-
(2014)
Dalton Trans.
, vol.43
, pp. 11803-11806
-
-
Kumar, N.1
Camaioni, D.M.2
Dupuis, M.3
Raugei, S.4
Appel, A.M.5
|