SCOPUS 정보 검색 플랫폼

Volumn 53, Issue 1-2, 2010, Pages 64-76

A microkinetic vision on high-throughput catalyst formulation and optimization: Development of an appropriate software tool

(6) Metaxas, Konstantinos a Thybaut, Joris W a Morra, Guilhem b,c Farrusseng, David b Mirodatos, Claude b Marin, Guy B a

a GHENT UNIVERSITY (Belgium)

b INST DE RECHERCHES SUR LA CATALYSE (France)

c JOHNSON MATTHEY CATALYSTS (United Kingdom)

Author keywords

Catalyst design and optimization; Microkinetic modeling; O xylene hydrogenation

Indexed keywords

AGGREGATION STATE; AUTOMATICALLY GENERATED; CATALYST DESIGNS; CHEMICAL KINETICS; DETERMINISTIC ALGORITHMS; ELEMENTARY STEPS; HIGH-THROUGHPUT; KINETIC MODELING; KINETIC MODELS; MICROKINETIC MODELING; MICROKINETIC MODELS; O-XYLENE; O-XYLENE HYDROGENATION; OPTIMIZATION PROCEDURES; POWER LAW MODEL; PROGRAMMING SKILLS; RATE EQUATIONS; REACTION NETWORK; SOFTWARE TOOL; USER FRIENDLY INTERFACE;

AROMATIC HYDROCARBONS; CATALYSTS; GRAPHICAL USER INTERFACES; HYDROGENATION; REACTION KINETICS; XYLENE;

OPTIMIZATION;

EID: 77649117066 PISSN: 10225528 EISSN: None Source Type: Journal
DOI: 10.1007/s11244-009-9432-9 Document Type: Conference Paper

Times cited : (19)

References (32)

1
- 0035910520
- Combinatorial heterogeneous catalysis - A new path in an old field
- DOI 10.1002/1521-3773(20010119)40:2<312::AID-ANIE312>3.0.CO;2-I
- S Senkan 2001 Angew Chem Int Ed 40 312 10.1002/1521-3773(20010119)40: 2<312::AID-ANIE312>3.0.CO;2-I 1:CAS:528:DC%2BD3MXoslahsA%3D%3D (Pubitemid 32114870)
- (2001) Angewandte Chemie - International Edition , vol.40 , Issue.2 , pp. 312-329
- Senkan, S.¹

2
- 0038006753
- 10.1016/S0021-9517(02)00036-2 1:CAS:528:DC%2BD3sXjvVCntLk%3D
- JM Caruthers JA Lauterbach KT Thomson V Venkatasubramanian CM Snively A Bhan S Katare G Oskarsdottir 2003 J Catal 216 98 10.1016/S0021-9517(02)00036-2 1:CAS:528:DC%2BD3sXjvVCntLk%3D
- (2003) J Catal , vol.216 , pp. 98
- Caruthers, J.M.¹ Lauterbach, J.A.² Thomson, K.T.³ Venkatasubramanian, V.⁴ Snively, C.M.⁵ Bhan, A.⁶ Katare, S.⁷ Oskarsdottir, G.⁸

3
- 0037617586
- 10.1023/A:1020551931076
- F Schüth O Busch C Hoffmann T Johann C Kiener D Demuth J Klein S Schunk W Strehlau T Zech 2002 Top Catal 21 55 10.1023/A:1020551931076
- (2002) Top Catal , vol.21 , pp. 55
- Schüth, F.¹ Busch, O.² Hoffmann, C.³ Johann, T.⁴ Kiener, C.⁵ Demuth, D.⁶ Klein, J.⁷ Schunk, S.⁸ Strehlau, W.⁹ Zech, T.¹⁰

4
- 40749130433
- High-throughput gas phase transient reactor for catalytic material characterization and kinetic studies
- DOI 10.1016/j.cej.2007.06.023, PII S1385894707004305
- G Morra A Desmartin-Chomel C Daniel U Ravon D Farrusseng R Cowan M Krusche C Mirodatos 2008 Chem Eng J 138 379 10.1016/j.cej.2007.06.023 1:CAS:528:DC%2BD1cXjtlWmtLs%3D (Pubitemid 351380725)
- (2008) Chemical Engineering Journal , vol.138 , Issue.1-3 , pp. 379-388
- Morra, G.¹ Desmartin-Chomel, A.² Daniel, C.³ Ravon, U.⁴ Farrusseng, D.⁵ Cowan, R.⁶ Krusche, M.⁷ Mirodatos, C.⁸

5
- 0034631685
- 10.1016/S0920-5861(00)00321-7
- J Pérez-Ramirez RJ Berger G Mul F Kapteijn JA Moulijn 2000 Catal Today 60 93 10.1016/S0920-5861(00)00321-7
- (2000) Catal Today , vol.60 , pp. 93
- Pérez-Ramirez, J.¹ Berger, R.J.² Mul, G.³ Kapteijn, F.⁴ Moulijn, J.A.⁵

6
- 0003251394
- 10.1023/A:1011928218694
- RJ Berger EH Stitt GB Marin F Kapteijn JA Moulijn 2001 CATTECH 5 1 30 10.1023/A:1011928218694
- (2001) CATTECH , vol.5 , Issue.1 , pp. 30
- Berger, R.J.¹ Stitt, E.H.² Marin, G.B.³ Kapteijn, F.⁴ Moulijn, J.A.⁵

7
- 12344252062
- An informatics infrastructure for combinatorial and high-throughput materials research built on open source code
- DOI 10.1088/0957-0233/16/1/034, Combinatorial and High-Throughput Materials Research
- W Zhang MJ Fasolka A Karim EJ Amis 2005 Meas Sci Technol 16 261 10.1088/0957-0233/16/1/034 1:CAS:528:DC%2BD2MXotVSmuw%3D%3D (Pubitemid 40133888)
- (2005) Measurement Science and Technology , vol.16 , Issue.1 , pp. 261-269
- Zhang, W.¹ Fasolka, M.J.² Karim, A.³ Amis, E.J.⁴

8
- 77649119569
- M Saupe R Födisch A Sundermann SA Schunk KE Finger 2004 QSAR Comb Sci 24 67
- (2004) QSAR Comb Sci , vol.24 , pp. 67
- Saupe, M.¹ Födisch, R.² Sundermann, A.³ Schunk, S.A.⁴ Finger, K.E.⁵

9
- 0034301715
- 10.1016/S0079-6816(00)00019-8 1:CAS:528:DC%2BD3cXmtFGju70%3D
- P Stoltze 2000 Prog Surf Sci 65 65 10.1016/S0079-6816(00)00019-8 1:CAS:528:DC%2BD3cXmtFGju70%3D
- (2000) Prog Surf Sci , vol.65 , pp. 65
- Stoltze, P.¹

10
- 0003461237
- American Chemical Society Washington, DC
- Dumesic JA, Rudd DF, Aparicio LM, Rekoske JE, Treviño AA (1993) The microkinetics of heterogeneous catalysis. American Chemical Society, Washington, DC
- (1993) The Microkinetics of Heterogeneous Catalysis
- Dumesic, J.A.¹ Rudd, D.F.² Aparicio, L.M.³ Rekoske, J.E.⁴ Treviño, A.A.⁵

11
- 45949098699
- 10.1016/j.cattod.2008.02.026 1:CAS:528:DC%2BD1cXnvFygur4%3D
- J Sun JW Thybaut GB Marin 2008 Catal Today 137 1 90 10.1016/j.cattod. 2008.02.026 1:CAS:528:DC%2BD1cXnvFygur4%3D
- (2008) Catal Today , vol.137 , Issue.1 , pp. 90
- Sun, J.¹ Thybaut, J.W.² Marin, G.B.³

12
- 78049255179
- Netlib, http://www.netlib.org

13
- 0003885858
- Wiley New York
- Himmelblau DM (1970) Process analysis by statistical methods. Wiley, New York
- (1970) Process Analysis by Statistical Methods
- Himmelblau, D.M.¹

14
- 0000618276
- 10.1016/S0098-1354(98)00043-X 1:CAS:528:DyaK1cXivFOjtLg%3D
- T-Y Park GF Froment 1998 Comp Chem Eng 22 S103 10.1016/S0098-1354(98) 00043-X 1:CAS:528:DyaK1cXivFOjtLg%3D
- (1998) Comp Chem Eng , vol.22 , pp. 103
- Park, T.-Y.¹ Froment, G.F.²

15
- 0003722376
- Addison-Wesley Pub. Co. Reading, MA
- Goldberg DE (1989) Genetic algorithms in search optimization, and machine learning. Addison-Wesley Pub. Co., Reading, MA
- (1989) Genetic Algorithms in Search Optimization, and Machine Learning
- Goldberg, D.E.¹

16
- 0031128318
- Estimating rate constants of heterogeneous catalytic reactions without supposition of rate determining surface steps an application of a genetic algorithm
- DOI 10.1016/S0009-2509(96)00479-4, PII S0009250996004794
- D Wolf R Moros 1997 Chem Eng Sci 52 1189 10.1016/S0009-2509(96)00479-4 1:CAS:528:DyaK2sXitFeksLg%3D (Pubitemid 27152924)
- (1997) Chemical Engineering Science , vol.52 , Issue.7 , pp. 1189-1199
- Wolf, D.¹ Moros, R.²

17
- 1642330011
- Transient microkinetic modelling of n-heptane catalytic cracking over H-USY zeolite
- DOI 10.1016/j.ces.2003.11.022, PII S0009250903005918
- H Carabineiro CIC Pinheiro F Lemos F Ramôa Ribeiro 2004 Chem Eng Sci 59 1221 10.1016/j.ces.2003.11.022 1:CAS:528:DC%2BD2cXisVartb4%3D (Pubitemid 38498265)
- (2004) Chemical Engineering Science , vol.59 , Issue.6 , pp. 1221-1232
- Carabineiro, H.¹ Pinheiro, C.I.C.² Lemos, F.³ Ribeiro, F.R.⁴

18
- 9544248687
- A hybrid genetic algorithm for efficient parameter estimation of large kinetic models
- DOI 10.1016/j.compchemeng.2004.07.002, PII S0098135404001590
- S Katare A Bhan JM Caruthers WN Delgass V Venkatasubramanian 2004 Comp Chem Eng 28 2569 10.1016/j.compchemeng.2004.07.002 1:CAS:528:DC%2BD2cXhtVaisbzK (Pubitemid 39572723)
- (2004) Computers and Chemical Engineering , vol.28 , Issue.12 , pp. 2569-2581
- Katare, S.¹ Bhan, A.² Caruthers, J.M.³ Delgass, W.N.⁴ Venkatasubramanian, V.⁵

19
- 78049234029
- Carroll DL, http://cuaerospace.com/carroll/ga.html
- Carroll, D.L.¹

20
- 79959583737
- NET. SYBEX, Inc., Alamada, CA
- ®.NET. SYBEX, Inc., Alamada, CA
- (2002) ®
- Petroutsos, E.¹

21
- 33847119034
- Development of an integrated informatics toolbox: HT kinetic and virtual screening
- DOI 10.2174/138620707779940947
- D Farrusseng F Clerc C Mirodatos N Azam F Gilardoni JW Thybaut P Balasubramaniam GB Marin 2007 Comb Chem High-Through Screen 10 85 10.2174/138620707779940947 1:CAS:528:DC%2BD2sXjtlGlsLk%3D (Pubitemid 46294162)
- (2007) Combinatorial Chemistry and High Throughput Screening , vol.10 , Issue.2 , pp. 85-97
- Farrusseng, D.¹ Clerc, F.² Mirodatos, C.³ Azam, N.⁴ Gilardoni, F.⁵ Thybaut, J.W.⁶ Balasubramaniam, P.⁷ Marin, G.B.⁸

22
- 0001286755
- 10.1006/jcat.1997.1527 1:CAS:528:DyaK2sXhs1KgtbY%3D
- MK Keane 1997 J Catal 166 347 10.1006/jcat.1997.1527 1:CAS:528: DyaK2sXhs1KgtbY%3D
- (1997) J Catal , vol.166 , pp. 347
- Keane, M.K.¹

23
- 27744543267
- 10.1016/0021-9517(91)90224-R 1:CAS:528:DyaK3MXis1Wgtw%3D%3D
- MV Rahaman MA Vannice 1991 J Catal 127 251 10.1016/0021-9517(91)90224-R 1:CAS:528:DyaK3MXis1Wgtw%3D%3D
- (1991) J Catal , vol.127 , pp. 251
- Rahaman, M.V.¹ Vannice, M.A.²

24
- 0037598165
- 10.1016/S0021-9517(03)00070-8
- AM Neyestanaki P Mäki-Arvela H Backman H Karhu T Salmi J Väyrynen DY Murzin 2003 J Catal 218 267 10.1016/S0021-9517(03)00070-8
- (2003) J Catal , vol.218 , pp. 267
- Neyestanaki, A.M.¹ Mäki-Arvela, P.² Backman, H.³ Karhu, H.⁴ Salmi, T.⁵ Väyrynen, J.⁶ Murzin, D.Y.⁷

25
- 0000542802
- 10.1016/S0926-860X(96)00302-X 1:CAS:528:DyaK2sXktV2mug%3D%3D
- S Smeds D Murzin T Salmi 1997 Appl Catal A: Gen 150 115 10.1016/S0926-860X(96)00302-X 1:CAS:528:DyaK2sXktV2mug%3D%3D
- (1997) Appl Catal A: Gen , vol.150 , pp. 115
- Smeds, S.¹ Murzin, D.² Salmi, T.³

26
- 20344380706
- 10.1016/j.jcat.2005.04.029 1:CAS:528:DC%2BD2MXltlersLY%3D
- H Backman AK Neyestanaki DY Murzin 2005 J Catal 233 109 10.1016/j.jcat.2005.04.029 1:CAS:528:DC%2BD2MXltlersLY%3D
- (2005) J Catal , vol.233 , pp. 109
- Backman, H.¹ Neyestanaki, A.K.² Murzin, D.Y.³

27
- 14544287251
- 10.1021/jp049421j 1:CAS:528:DC%2BD2cXktlGkurk%3D
- M Saeys M-F Reyniers M Neurock GB Marin 2005 J Phys Chem B 109 2064 10.1021/jp049421j 1:CAS:528:DC%2BD2cXktlGkurk%3D
- (2005) J Phys Chem B , vol.109 , pp. 2064
- Saeys, M.¹ Reyniers, M.-F.² Neurock, M.³ Marin, G.B.⁴

28
- 0039035123
- 10.1006/jcat.1993.1299 1:CAS:528:DyaK2cXlsVSgtg%3D%3D
- SD Lin MA Vannice 1993 J Catal 143 563 10.1006/jcat.1993.1299 1:CAS:528:DyaK2cXlsVSgtg%3D%3D
- (1993) J Catal , vol.143 , pp. 563
- Lin, S.D.¹ Vannice, M.A.²

29
- 0004221179
- Princeton University Press Princeton, NJ
- Boudart M, Djéga-Mariadassou G (1984) Kinetics of heterogeneous catalytic reactions. Princeton University Press, Princeton, NJ
- (1984) Kinetics of Heterogeneous Catalytic Reactions
- Boudart, M.¹ Djéga-Mariadassou, G.²

30
- 0035839762
- Alkene protonation enthalpy determination from fundamental kinetic modeling of alkane hydroconversion on Pt/H-(US)Y-zeolite
- DOI 10.1006/jcat.2001.3292
- JW Thybaut GB Marin GV Baron PA Jacobs JA Martens 2001 J Catal 202 324 10.1006/jcat.2001.3292 1:CAS:528:DC%2BD3MXmsVGisr8%3D (Pubitemid 33038797)
- (2001) Journal of Catalysis , vol.202 , Issue.2 , pp. 324-339
- Marin, G.B.¹ Thybaut, J.W.²

31
- 0001823521
- 10.1016/0021-9517(75)90131-1
- RZC van Meerten JWE Coenen 1975 J Catal 37 37 10.1016/0021-9517(75)90131- 1
- (1975) J Catal , vol.37 , pp. 37
- Van Meerten, R.Z.C.¹ Coenen, J.W.E.²

32
- 0025841348
- 10.1016/0144-2449(91)80350-9 1:CAS:528:DyaK3MXhtVSrt7k%3D
- B Coughlan MA Keane 1991 Zeolites 11 12 10.1016/0144-2449(91)80350-9 1:CAS:528:DyaK3MXhtVSrt7k%3D
- (1991) Zeolites , vol.11 , pp. 12
- Coughlan, B.¹ Keane, M.A.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.