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Volumn 8, Issue 6, 2005, Pages 789-797

Building process knowledge using inline spectroscopy, reaction calorimetry and reaction modeling - The integrated approach

Author keywords

FTIR; Inline spectroscopy; Kinetic modeling; Raman; Reaction calorimetry; Reaction engineering

Indexed keywords

ANEMOMETRY; CALORIMETRY; CATALYSIS; CHEMOMETRICS; CROSS COUPLING REACTION; DECOMPOSITION; ENANTIOSELECTIVITY; GAS ANALYSIS; GRIGNARD REACTION; HEAT; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; HYDROGENATION; LOW TEMPERATURE; MICROCALORIMETRY; MOLECULAR MECHANICS; MOLECULAR MODEL; RAMAN SPECTROMETRY; REVIEW; SPECTROSCOPY; TEMPERATURE DEPENDENCE; THERMODYNAMICS;

EID: 27844472106     PISSN: 13676733     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Review
Times cited : (5)

References (67)
  • 3
    • 0033554468 scopus 로고    scopus 로고
    • Fundamental chemical kinetics: The first step to reaction modelling and reaction engineering
    • Santacesaria E: Fundamental chemical kinetics: The first step to reaction modelling and reaction engineering. Catalysis Today (1999) 52(2-3):113-123. Provides a generalized approach to a kinetic study.
    • (1999) Catalysis Today , vol.52 , Issue.2-3 , pp. 113-123
    • Santacesaria, E.1
  • 4
    • 0029528716 scopus 로고
    • In-situ Fourier-transform Infrared and calorimetric studies of the preparation of a pharmaceutical intermediate
    • Landau RN, McKenzie PF, Forman AL, Dauer RR, Futran M, Epstein AD: In-situ Fourier-transform Infrared and calorimetric studies of the preparation of a pharmaceutical intermediate. Proc Control Qual (1995) 7(3-4):133-142.
    • (1995) Proc Control Qual , vol.7 , Issue.3-4 , pp. 133-142
    • Landau, R.N.1    McKenzie, P.F.2    Forman, A.L.3    Dauer, R.R.4    Futran, M.5    Epstein, A.D.6
  • 5
    • 0000878743 scopus 로고    scopus 로고
    • Expanding the role of reaction calorimetry
    • Landau RN: Expanding the role of reaction calorimetry. Thermochim Acta (1996) 289(2):101-126. A comprehensive review presenting several examples of the role of reaction calorimetry in process development.
    • (1996) Thermochim Acta , vol.289 , Issue.2 , pp. 101-126
    • Landau, R.N.1
  • 6
    • 0023230833 scopus 로고
    • Isothermal reaction calorimeters - I. A literature review
    • Guldbaek KL, Villadsen J: Isothermal reaction calorimeters - I. A literature review. Chem Eng Sci (1987) 42(5):1153-1164.
    • (1987) Chem Eng Sci , vol.42 , Issue.5 , pp. 1153-1164
    • Guldbaek, K.L.1    Villadsen, J.2
  • 7
    • 27844600590 scopus 로고    scopus 로고
    • Mettler-Toledo Ltd, Leicester, UK
    • Mettler-Toledo Ltd, Leicester, UK. www.mt.com/autochem
  • 8
    • 0002028648 scopus 로고
    • Enantioselective catalysis: Influence of conversion and bulk diffusion limitations on selectivity in the hydrogenation of ethyl pyruvate
    • Singh UK, Landau RN, Sun Y, LeBlond C, Blackmond DG, Tanielyan SK, Augustine RL: Enantioselective catalysis: Influence of conversion and bulk diffusion limitations on selectivity in the hydrogenation of ethyl pyruvate. J Catal (1995) 154(1):91-97.
    • (1995) J Catal , vol.154 , Issue.1 , pp. 91-97
    • Singh, U.K.1    Landau, R.N.2    Sun, Y.3    LeBlond, C.4    Blackmond, D.G.5    Tanielyan, S.K.6    Augustine, R.L.7
  • 9
    • 0029885727 scopus 로고    scopus 로고
    • A re-examination of pressure effects on enantioselectivity in asymmetric catalytic hydrogenation
    • Sun Y, Landau RN, Wang J, LeBlond C, Blackmond DG: A re-examination of pressure effects on enantioselectivity in asymmetric catalytic hydrogenation. J Am Chem Soc (1996) 118(6):1348-1353.
    • (1996) J Am Chem Soc , vol.118 , Issue.6 , pp. 1348-1353
    • Sun, Y.1    Landau, R.N.2    Wang, J.3    LeBlond, C.4    Blackmond, D.G.5
  • 10
    • 0343306566 scopus 로고    scopus 로고
    • Asymmetric hydrogen of ethyl pyruvate: Relationship between conversion and enantioselectivity
    • Wang J, Sun Y, Leblond C, Landau RN, Blackmond DG: Asymmetric hydrogen of ethyl pyruvate: Relationship between conversion and enantioselectivity. J Catal (1996) 161(2):752-758.
    • (1996) J Catal , vol.161 , Issue.2 , pp. 752-758
    • Wang, J.1    Sun, Y.2    LeBlond, C.3    Landau, R.N.4    Blackmond, D.G.5
  • 11
    • 0001632585 scopus 로고    scopus 로고
    • Asymmetric hydrogenation of ethyl pyruvate: Diffusion effects on enantioselectivity
    • Sun Y, Wang J, LeBlond C, Landau RN, Blackmond DG: Asymmetric hydrogenation of ethyl pyruvate: Diffusion effects on enantioselectivity. J Catal (1996) 161(2):759-765.
    • (1996) J Catal , vol.161 , Issue.2 , pp. 759-765
    • Sun, Y.1    Wang, J.2    LeBlond, C.3    Landau, R.N.4    Blackmond, D.G.5
  • 14
    • 0028408648 scopus 로고
    • Calorimetric investigation of an exothermic reaction: Kinetic and heat flow modeling
    • Landau RN, Blackmond DG, Tung H-H: Calorimetric investigation of an exothermic reaction: Kinetic and heat flow modeling, Ind Eng Chem Res (1994) 33(4):814-820.
    • (1994) Ind Eng Chem Res , vol.33 , Issue.4 , pp. 814-820
    • Landau, R.N.1    Blackmond, D.G.2    Tung, H.-H.3
  • 15
    • 5144228830 scopus 로고    scopus 로고
    • Isothermal reaction calorimetry as a tool for kinetic analysis
    • Zogg A, Stoessel F, Fischer U, Hungerbuehler K: Isothermal reaction calorimetry as a tool for kinetic analysis. Thermochim Acta (2004) 419(1-2):1-17. An exhaustive review describing the principles as well as the role of reaction calorimetry as a tool for kinetic analysis.
    • (2004) Thermochim Acta , vol.419 , Issue.1-2 , pp. 1-17
    • Zogg, A.1    Stoessel, F.2    Fischer, U.3    Hungerbuehler, K.4
  • 16
    • 0037357942 scopus 로고    scopus 로고
    • Use of the ultra low temperature RC1e reaction calorimeter
    • Green D, Fenwick P: Use of the ultra low temperature RC1e reaction calorimeter. Org Proc Res Dev (2003) 7(2):214-221. Illustrates the use of reaction calorimetry to study reactions carried out at temperatures as low as -70°C.
    • (2003) Org Proc Res Dev , vol.7 , Issue.2 , pp. 214-221
    • Green, D.1    Fenwick, P.2
  • 17
    • 3042688330 scopus 로고    scopus 로고
    • Reaction calorimetry as a new tool for supercritical fluids
    • Lavanchy F, Fortini S, Meyer T: Reaction calorimetry as a new tool for supercritical fluids. Org Proc Res Dev (2004) 8(3):504-510. Illustrates the use of reaction calorimetry to study reactions carried out at 300°C and 350 bar.
    • (2004) Org Proc Res Dev , vol.8 , Issue.3 , pp. 504-510
    • Lavanchy, F.1    Fortini, S.2    Meyer, T.3
  • 18
    • 0036537821 scopus 로고    scopus 로고
    • Microcalorimetry as a tool in mechanistic studies of organic reactions
    • Thibblin A: Microcalorimetry as a tool in mechanistic studies of organic reactions. J Phys Org Chem (2002) 15(4):233-241.
    • (2002) J Phys Org Chem , vol.15 , Issue.4 , pp. 233-241
    • Thibblin, A.1
  • 19
    • 10444238498 scopus 로고    scopus 로고
    • Determining the best reaction calorimetry technique: Theoretical development
    • Gesthuisen R, Kraemer S, Niggemann G, Leiza JR, Asua JM: Determining the best reaction calorimetry technique: Theoretical development. Computers Chem Eng (2005) 29(2):349-365.
    • (2005) Computers Chem Eng , vol.29 , Issue.2 , pp. 349-365
    • Gesthuisen, R.1    Kraemer, S.2    Niggemann, G.3    Leiza, J.R.4    Asua, J.M.5
  • 20
    • 0002558446 scopus 로고
    • Technical note: Diamond-composite sensor for ATR spectroscopy
    • Milosevic M, Sting D, Rein A: Technical note: Diamond-composite sensor for ATR spectroscopy. Spectroscopy (1995) 10(4):44-49.
    • (1995) Spectroscopy , vol.10 , Issue.4 , pp. 44-49
    • Milosevic, M.1    Sting, D.2    Rein, A.3
  • 22
    • 15444365721 scopus 로고    scopus 로고
    • Preparation of Grignard reagents: FTIR and calorimetric investigation for safe scale-up
    • am Ende DJ, Clifford PJ, DeAntonis DM, SantaMaria C, Brenek SJ: Preparation of Grignard reagents: FTIR and calorimetric investigation for safe scale-up. Org Proc Res Dev (1999) 3(5):319-329. Demonstrates the advantages of applying FTIR technology for monitoring the Grignard reaction.
    • (1999) Org Proc Res Dev , vol.3 , Issue.5 , pp. 319-329
    • Am Ende, D.J.1    Clifford, P.J.2    DeAntonis, D.M.3    SantaMaria, C.4    Brenek, S.J.5
  • 24
    • 20444493237 scopus 로고    scopus 로고
    • Safety improvement of a Grignard reaction using on-line NIR monitoring
    • Wiss J, Laenzlinger M, Wermulh M: Safety improvement of a Grignard reaction using on-line NIR monitoring. Org Proc Res Dev (2005) 9(3):365-371. Describes the development of a quantitative NIR technique for monitoring the Grignard reaction and application on pilot plant-scale.
    • (2005) Org Proc Res Dev , vol.9 , Issue.3 , pp. 365-371
    • Wiss, J.1    Laenzlinger, M.2    Wermulh, M.3
  • 25
    • 27844478197 scopus 로고    scopus 로고
    • Process Analytical Technology (PAT): Broad applications of in situ real-time FT-IR in chemical process research
    • Philadelphia, PA, USA
    • Zhang-Plasket F, Duda RJ, Childers JH, Hortenstine JT, Kenney BD, Villani FJ, Zhong H: Process Analytical Technology (PAT): Broad applications of in situ real-time FT-IR in chemical process research. 228th ACS Meeting, Philadelphia, PA, USA, (2004). Discusses the determination of the stability of a Grignard reagent and the potential thermal hazard of a chlorosulfonation reaction.
    • (2004) 228th ACS Meeting
    • Zhang-Plasket, F.1    Duda, R.J.2    Childers, J.H.3    Hortenstine, J.T.4    Kenney, B.D.5    Villani, F.J.6    Zhong, H.7
  • 27
    • 4243195879 scopus 로고    scopus 로고
    • Development of a safe and scalable oxidation process for the preparation of 6-hydroxybuspirone: Application of inline monitoring for process ruggedness and product quality
    • Watson DJ, Dowdy ED, DePue JS, Kotnis AS, Leung S, O'Reilly BC: Development of a safe and scalable oxidation process for the preparation of 6-hydroxybuspirone: Application of inline monitoring for process ruggedness and product quality. Org Proc Res Dev (2004) 8(4):616-623. Describes the use of inline FTIR for defining the endpoint of a hydrogenation deprotonation to prevent excess base addition which can lead to impurity formation.
    • (2004) Org Proc Res Dev , vol.8 , Issue.4 , pp. 616-623
    • Watson, D.J.1    Dowdy, E.D.2    DePue, J.S.3    Kotnis, A.S.4    Leung, S.5    O'Reilly, B.C.6
  • 28
    • 20744458897 scopus 로고    scopus 로고
    • Process analytical chemistry
    • Workman J Jr, Koch M, Veltkamp D: Process analytical chemistry. Anal Chem (2005) 77(12):3789-3806. Provides a review of process analytical chemistry, which is the sixth in a series of review articles on this subject, and covers the period from March 2003 through March 2005.
    • (2005) Anal Chem , vol.77 , Issue.12 , pp. 3789-3806
    • Workman Jr., J.1    Koch, M.2    Veltkamp, D.3
  • 29
    • 0037274992 scopus 로고    scopus 로고
    • Quantitative analysis using Raman spectrometry
    • Pelletier MJ: Quantitative analysis using Raman spectrometry. Appl Spectrosc (2003) 57(1):20A-42A. Discusses the techniques that are used to quantify information from Raman spectra.
    • (2003) Appl Spectrosc , vol.57 , Issue.1
    • Pelletier, M.J.1
  • 30
    • 14744270747 scopus 로고    scopus 로고
    • Quantitative Raman reaction monitoring using the solvent as internal standard
    • Aamoutse PJ, Westerhuis JA: Quantitative Raman reaction monitoring using the solvent as internal standard. Anal Chem (2005) 77(5):1228-1236. Describes a method to correct for the inner filter effect.
    • (2005) Anal Chem , vol.77 , Issue.5 , pp. 1228-1236
    • Aamoutse, P.J.1    Westerhuis, J.A.2
  • 31
    • 3342879301 scopus 로고    scopus 로고
    • Quantitative determination of the catalysed asymmetric transfer hydrogenation of 1-methyl-67-dimethoxy-34-dihydroisoquinoline using in situ FTIR and multivariate curve resolution
    • Richards S, Ropic M, Blackmond D, Walmsley A: Quantitative determination of the catalysed asymmetric transfer hydrogenation of 1-methyl-67-dimethoxy-34- dihydroisoquinoline using in situ FTIR and multivariate curve resolution. Anal Chim Acta (2004) 519(1):1-9.
    • (2004) Anal Chim Acta , vol.519 , Issue.1 , pp. 1-9
    • Richards, S.1    Ropic, M.2    Blackmond, D.3    Walmsley, A.4
  • 32
    • 16244411305 scopus 로고    scopus 로고
    • The role of chelating diamine ligands in the Goldberg reaction: A kinetic study on the copper-catalyzed amidation of aryl iodides
    • Strieter ER, Blackmond DG, Buchwald SL: The role of chelating diamine ligands in the Goldberg reaction: A kinetic study on the copper-catalyzed amidation of aryl iodides. J Am Chem Soc (2005) 127(12):4120-4121. Describes how kinetic expression is obtained from a proposed mechanism and how support for the kinetic expression is derived by comparing results in the limiting cases.
    • (2005) J Am Chem Soc , vol.127 , Issue.12 , pp. 4120-4121
    • Strieter, E.R.1    Blackmond, D.G.2    Buchwald, S.L.3
  • 33
    • 0033166117 scopus 로고    scopus 로고
    • Hybrid first-principle-neural-network approach to modelling of the liquid-liquid reacting system
    • Molga E, Cherbanski R: Hybrid first-principle-neural-network approach to modelling of the liquid-liquid reacting system. Chem Eng Sci (1999) 54(13-14):2467-2473.
    • (1999) Chem Eng Sci , vol.54 , Issue.13-14 , pp. 2467-2473
    • Molga, E.1    Cherbanski, R.2
  • 34
    • 0030576496 scopus 로고    scopus 로고
    • The use of neural networks for fitting complex kinetic data
    • Galvan IM, Zaldivar JM, Hernandez H, Molga E: The use of neural networks for fitting complex kinetic data. Comput Chem Eng (1996) 20(12):1451-1465.
    • (1996) Comput Chem Eng , vol.20 , Issue.12 , pp. 1451-1465
    • Galvan, I.M.1    Zaldivar, J.M.2    Hernandez, H.3    Molga, E.4
  • 35
    • 0026980961 scopus 로고
    • Process development utilizing advanced technologies: The RC1 reaction calorimeter the multi-functional SimuSolv software and the ReactIR reaction analysis system
    • Landau RN, Penix SM, Donahue SM, Rein AJ: Process development utilizing advanced technologies: The RC1 reaction calorimeter the multi-functional SimuSolv software and the ReactIR reaction analysis system. Proc SPIE Int Soc Opt Eng (1992) 1681:356-373. Provides one of the earliest examples illustrating the application of the integrated approach to process development in the pharmaceutical industry.
    • (1992) Proc SPIE Int Soc Opt Eng , vol.1681 , pp. 356-373
    • Landau, R.N.1    Penix, S.M.2    Donahue, S.M.3    Rein, A.J.4
  • 36
    • 0036305025 scopus 로고    scopus 로고
    • Scale-up of a Vilsmeier formylation reaction: Use of HEL Auto-MATE and simulation techniques for rapid and safe transfer to pilot plant from laboratory
    • Dyer UC, Henderson DA, Mitchell MB, Tiffin PD: Scale-up of a Vilsmeier formylation reaction: Use of HEL Auto-MATE and simulation techniques for rapid and safe transfer to pilot plant from laboratory. Org Proc Res Dev (2002) 6(3):311-316. Compares the performance of the HEL SIMULAR 1-1 reaction calorimeter with the much smaller HEL Auto-MATE for enthalpy measurement.
    • (2002) Org Proc Res Dev , vol.6 , Issue.3 , pp. 311-316
    • Dyer, U.C.1    Henderson, D.A.2    Mitchell, M.B.3    Tiffin, P.D.4
  • 37
    • 27844449914 scopus 로고    scopus 로고
    • Aspen Technology Inc, Cambridge, MA, USA
    • Aspen BatchCAD: Aspen Technology Inc, Cambridge, MA, USA. http://www.aspentech.com/product.cfm?ProductID=316
    • Aspen BatchCAD
  • 38
    • 27844487936 scopus 로고    scopus 로고
    • Chemstations Inc, Houston, TX, USA
    • Chemstations Inc, Houston, TX, USA. www.chemstations.net
  • 39
    • 27844477249 scopus 로고    scopus 로고
    • Performance Fluid Dynamics Ltd, Dublin, Ireland
    • DynoChem: Performance Fluid Dynamics Ltd, Dublin, Ireland. www.scale-up.com
    • DynoChem
  • 40
    • 10044283108 scopus 로고    scopus 로고
    • Identification of new catalysts to promote imidazolide couplings and optimisation of reaction conditions using kinetic modelling
    • Bright R, Dale DJ, Dunn PJ, Hussain F, Kang Y, Mason C, Mitchell JC, Snowden MJ: Identification of new catalysts to promote imidazolide couplings and optimisation of reaction conditions using kinetic modelling. Org Proc Res Dev (2004) 8(6):1054-1058.
    • (2004) Org Proc Res Dev , vol.8 , Issue.6 , pp. 1054-1058
    • Bright, R.1    Dale, D.J.2    Dunn, P.J.3    Hussain, F.4    Kang, Y.5    Mason, C.6    Mitchell, J.C.7    Snowden, M.J.8
  • 41
    • 1842418812 scopus 로고    scopus 로고
    • The rationalization of catalyst behaviour in the reductive amination of benzaldenyde with ammonia using a simple computer model
    • Gomez S, Peters JA, van der Waal JC, van den Brink PJ, Maschmeyer T: The rationalization of catalyst behaviour In the reductive amination of benzaldenyde with ammonia using a simple computer model. Appl Catal A Gen (2004) 261(1):119-125.
    • (2004) Appl Catal A Gen , vol.261 , Issue.1 , pp. 119-125
    • Gomez, S.1    Peters, J.A.2    Van Der Waal, J.C.3    Van Den Brink, P.J.4    Maschmeyer, T.5
  • 42
    • 0038310831 scopus 로고    scopus 로고
    • Comprehensive kinetic model for adiabatic decomposition of di-tert-butyl peroxide using BatchCAD
    • Iizuka Y, Surianarayanan M: Comprehensive kinetic model for adiabatic decomposition of di-tert-butyl peroxide using BatchCAD. Ind Eng Chem Res (2003) 42(13):2987-2995.
    • (2003) Ind Eng Chem Res , vol.42 , Issue.13 , pp. 2987-2995
    • Iizuka, Y.1    Surianarayanan, M.2
  • 43
    • 0036859793 scopus 로고    scopus 로고
    • Identification of the decomposition products in an industrial nitration process under thermal runaway conditions
    • Lunghi A, Alos MA, Gigante L, Feixas J, Sironi E, Feliu JA, Cardillo P: Identification of the decomposition products in an industrial nitration process under thermal runaway conditions. Org Proc Res Dev (2002) 6(6):926-932.
    • (2002) Org Proc Res Dev , vol.6 , Issue.6 , pp. 926-932
    • Lunghi, A.1    Alos, M.A.2    Gigante, L.3    Feixas, J.4    Sironi, E.5    Feliu, J.A.6    Cardillo, P.7
  • 44
    • 0043246743 scopus 로고    scopus 로고
    • Mixing and the selectivity of chemical reactions
    • Bourne JR: Mixing and the selectivity of chemical reactions. Org Proc Res Dev (2003) 7(4):471-508. Provides an introduction to the principles determining the influence of mixing and mass transfer on chemical reactions, especially on the selectivity of single- and two-phase reactions.
    • (2003) Org Proc Res Dev , vol.7 , Issue.4 , pp. 471-508
    • Bourne, J.R.1
  • 45
    • 0006646344 scopus 로고    scopus 로고
    • Mass and heat transfer in catalytic reactions
    • Forni L: Mass and heat transfer in catalytic reactions. Catalysis Today (1999) 52(2-3):147-152.
    • (1999) Catalysis Today , vol.52 , Issue.2-3 , pp. 147-152
    • Forni, L.1
  • 46
    • 4644332942 scopus 로고    scopus 로고
    • Measurement of power consumption in stirred vessels - A review
    • Ascanio G, Castro B, Galindo E: Measurement of power consumption in stirred vessels - A review. Chem Eng Res Des (2004) 82(A9):1282-1290.
    • (2004) Chem Eng Res Des , vol.82 , Issue.A9 , pp. 1282-1290
    • Ascanio, G.1    Castro, B.2    Galindo, E.3
  • 47
    • 0031278090 scopus 로고    scopus 로고
    • Noninvasive tomographic and velocimetric monitoring of multiphase flows
    • Chaouki J, Larachi F, Dudukovic MP: Noninvasive tomographic and velocimetric monitoring of multiphase flows, Ind Eng Chem Res (1997) 36(11):4476-4503.
    • (1997) Ind Eng Chem Res , vol.36 , Issue.11 , pp. 4476-4503
    • Chaouki, J.1    Larachi, F.2    Dudukovic, M.P.3
  • 48
    • 16544394880 scopus 로고    scopus 로고
    • State of the art and future trends in CFD simulation of stirred vessel hydrodynamics
    • Sommerfeld M, Decker S: State of the art and future trends in CFD simulation of stirred vessel hydrodynamics. Chem Eng Tech (2004) 27(3):215-224.
    • (2004) Chem Eng Tech , vol.27 , Issue.3 , pp. 215-224
    • Sommerfeld, M.1    Decker, S.2
  • 49
    • 16544387975 scopus 로고    scopus 로고
    • CFD modelling of mixing effects on the course of parallel chemical reactions carried out in a stirred tank
    • Baldyga J, Makowski L: CFD modelling of mixing effects on the course of parallel chemical reactions carried out in a stirred tank. Chem Eng Tech (2004) 27(3):225-231.
    • (2004) Chem Eng Tech , vol.27 , Issue.3 , pp. 225-231
    • Baldyga, J.1    Makowski, L.2
  • 50
    • 14544299254 scopus 로고    scopus 로고
    • Hydrodynamic effects on mixing and competitive reactions in laboratory reactors
    • Akiti O, Yeboah A, Bai G, Armenante PM: Hydrodynamic effects on mixing and competitive reactions in laboratory reactors. Chem Eng Sci (2005) 60(8-9):2341-2354.
    • (2005) Chem Eng Sci , vol.60 , Issue.8-9 , pp. 2341-2354
    • Akiti, O.1    Yeboah, A.2    Bai, G.3    Armenante, P.M.4
  • 51
    • 9944235023 scopus 로고    scopus 로고
    • CFD modelling of stirred tank chemical reactors: Homogeneous and heterogeneous reaction systems
    • Rudniak L, Machniewski PM, Milewska A, Molga E: CFD modelling of stirred tank chemical reactors: Homogeneous and heterogeneous reaction systems. Chem Eng Sci (2004) 59(22-23):5233-5239.
    • (2004) Chem Eng Sci , vol.59 , Issue.22-23 , pp. 5233-5239
    • Rudniak, L.1    Machniewski, P.M.2    Milewska, A.3    Molga, E.4
  • 52
    • 1042265088 scopus 로고    scopus 로고
    • Mechanistic investigation leads to a synthetic improvement in the hydrolytic kinetic resolution of terminal epoxides
    • Nielsen LPC, Stevenson CP, Blackmond DG, Jacobsen EN: Mechanistic investigation leads to a synthetic improvement in the hydrolytic kinetic resolution of terminal epoxides. J Am Chem Soc (2004) 126(5):1360-1362.
    • (2004) J Am Chem Soc , vol.126 , Issue.5 , pp. 1360-1362
    • Nielsen, L.P.C.1    Stevenson, C.P.2    Blackmond, D.G.3    Jacobsen, E.N.4
  • 53
    • 0347365741 scopus 로고    scopus 로고
    • Calorimetric approach and simulation for scaleup of a Friedel-Crafts reaction
    • Gigante L, Lunghi A, Martinelli S, Cardillo P, Picello L, Bortolaso R, Galvagni M, Rota R: Calorimetric approach and simulation for scaleup of a Friedel-Crafts reaction. Org Proc Res Dev (2003) 7(6):1079-1082. Discusses a kinetic study using reaction calorimetry and commercially available software.
    • (2003) Org Proc Res Dev , vol.7 , Issue.6 , pp. 1079-1082
    • Gigante, L.1    Lunghi, A.2    Martinelli, S.3    Cardillo, P.4    Picello, L.5    Bortolaso, R.6    Galvagni, M.7    Rota, R.8
  • 54
    • 4344582934 scopus 로고    scopus 로고
    • Mechanistic insights into anomalous kinetic behavior in the hydrogenation of a substituted nitrobenzene
    • LeBars J, Dini S, Hawkins JM, Blackmond DG: Mechanistic insights into anomalous kinetic behavior in the hydrogenation of a substituted nitrobenzene. Adv Synth Catal (2004) 346(8):943-946. Explains anomalous behavior by postulating that Rideal and Langmuir-Hinshelwood mechanisms are dominant during different phases of the reaction.
    • (2004) Adv Synth Catal , vol.346 , Issue.8 , pp. 943-946
    • LeBars, J.1    Dini, S.2    Hawkins, J.M.3    Blackmond, D.G.4
  • 55
    • 0033964995 scopus 로고    scopus 로고
    • Target testing procedure for determining chemical kinetics from spectroscopic data with absorption shifts and baseline drift
    • Furusjo E, Danielsson L-G: Target testing procedure for determining chemical kinetics from spectroscopic data with absorption shifts and baseline drift. Chemometr Intell Lab Syst (2000) 50(1):63-73. Introduces a target testing method for estimation of kinetic parameters from spectroscopic data in the presence of absorption peak shifts or baseline drift.
    • (2000) Chemometr Intell Lab Syst , vol.50 , Issue.1 , pp. 63-73
    • Furusjo, E.1    Danielsson, L.-G.2
  • 56
    • 0037471421 scopus 로고    scopus 로고
    • Estimation of kinetic parameters from non-isothermal batch experiments monitored by in situ vibrational spectroscopy
    • Furusjo E, Svensson O, Danielsson L-G: Estimation of kinetic parameters from non-isothermal batch experiments monitored by in situ vibrational spectroscopy. Chemometr Intell Lab Syst (2003) 66(1):1-14. Discusses the application of the target testing method for estimation of kinetic parameters from spectroscopic data, with several examples.
    • (2003) Chemometr Intell Lab Syst , vol.66 , Issue.1 , pp. 1-14
    • Furusjo, E.1    Svensson, O.2    Danielsson, L.-G.3
  • 57
    • 2342533023 scopus 로고    scopus 로고
    • In situ monitoring of catalytic three-phase enantioselective hydrogenation using FTIR/ATR spectroscopy
    • Pintar A, Malacea R, Pinel C, Fogassy G, Besson M: In situ monitoring of catalytic three-phase enantioselective hydrogenation using FTIR/ATR spectroscopy. Appl Catal A Gen (2004) 264(1):1-12. In situ FTIR was used to obtain a mechanistic insight into Pd/C catalyzed enantioselective hydrogenation of prochiral, exocyclic α,β-unsaturated ketones.
    • (2004) Appl Catal A Gen , vol.264 , Issue.1 , pp. 1-12
    • Pintar, A.1    Malacea, R.2    Pinel, C.3    Fogassy, G.4    Besson, M.5
  • 58
    • 0036854397 scopus 로고    scopus 로고
    • In situ Fourier transform infrared spectroscopy as an efficient tool for determination of reaction kinetics
    • Pintar A, Batista J, Levee J: In situ Fourier transform infrared spectroscopy as an efficient tool for determination of reaction kinetics. Analyst (2002) 127(11):1535-1540.
    • (2002) Analyst , vol.127 , Issue.11 , pp. 1535-1540
    • Pintar, A.1    Batista, J.2    Levee, J.3
  • 59
    • 25444433511 scopus 로고    scopus 로고
    • Use of reaction calorimetry in thermal risk assessment studies and safe design of batch reactions that can lead to a runaway: Application on hydrogen peroxide
    • Papadaki M: Use of reaction calorimetry in thermal risk assessment studies and safe design of batch reactions that can lead to a runaway: Application on hydrogen peroxide. Top Catalysis (2004) 29(3-4):207-213.
    • (2004) Top Catalysis , vol.29 , Issue.3-4 , pp. 207-213
    • Papadaki, M.1
  • 60
    • 0032385906 scopus 로고    scopus 로고
    • A combined approach to characterization of catalytic reactions using in situ kinetic probes
    • LeBlond C, Wang J, Larsen R, Orella C, Sun Y-K: A combined approach to characterization of catalytic reactions using in situ kinetic probes. Top Catalysis (1998) 5(1-4 Pt 2):149-158. Provides one of the earliest examples of the use of the integrated approach for catalytic reactions.
    • (1998) Top Catalysis , vol.5 , Issue.1-4 PART 2 , pp. 149-158
    • LeBlond, C.1    Wang, J.2    Larsen, R.3    Orella, C.4    Sun, Y.-K.5
  • 63
    • 10044239412 scopus 로고    scopus 로고
    • Integrated approach to the development and understanding of the borane reduction of a carboxylic acid
    • Lobben PC, Leung SS-W, Tummala S: Integrated approach to the development and understanding of the borane reduction of a carboxylic acid. Org Proc Res Dev (2004) 8(6):1072-1075. Provides an example of the use of the integrated approach coupled with off-gas measurement to elucidate the kinetic parameters of a five-step mechanism.
    • (2004) Org Proc Res Dev , vol.8 , Issue.6 , pp. 1072-1075
    • Lobben, P.C.1    Leung, S.S.-W.2    Tummala, S.3
  • 64
    • 10044254301 scopus 로고    scopus 로고
    • Identification of kinetic and thermodynamic reaction parameters from online calorimetric and IR-ATR data using a new combined evaluation algorithm
    • Zogg A, Fischer U, Hungerbuehler K: Identification of kinetic and thermodynamic reaction parameters from online calorimetric and IR-ATR data using a new combined evaluation algorithm. Chem Eng Sci (2004) 59(24):5795-5806. Provides an example of the application of the integrated approach and discusses potential pitfalls in relying on data from a single kinetic tool for a kinetic study.
    • (2004) Chem Eng Sci , vol.59 , Issue.24 , pp. 5795-5806
    • Zogg, A.1    Fischer, U.2    Hungerbuehler, K.3
  • 65
    • 0035532811 scopus 로고    scopus 로고
    • Determination of reaction parameters using a small calorimeter with an integrated FT-IR probe and parameter fitting
    • Pastre J, Zogg A, Fischer U, Hungerbuehler K: Determination of reaction parameters using a small calorimeter with an integrated FT-IR probe and parameter fitting. Org Proc Res Dev (2001) 5(2):158-166.
    • (2001) Org Proc Res Dev , vol.5 , Issue.2 , pp. 158-166
    • Pastre, J.1    Zogg, A.2    Fischer, U.3    Hungerbuehler, K.4
  • 66
    • 10044257721 scopus 로고    scopus 로고
    • An integrated approach combining reaction engineering and design of experiments for optimizing reactions
    • Roberge OM: An integrated approach combining reaction engineering and design of experiments for optimizing reactions. Org Proc Res Dev (2004) 8(6):1049-1053.
    • (2004) Org Proc Res Dev , vol.8 , Issue.6 , pp. 1049-1053
    • Roberge, O.M.1
  • 67


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