-
2
-
-
2342516067
-
A new approach for a combined evaluation of calorimetric and online infrared data to identify kinetic and thermodynamic parameters of a chemical reaction
-
Zogg A., Fischer U., and Hungerbühler K. A new approach for a combined evaluation of calorimetric and online infrared data to identify kinetic and thermodynamic parameters of a chemical reaction. Chemom. Intell. Lab. Syst. 71 (2004) 165-176
-
(2004)
Chemom. Intell. Lab. Syst.
, vol.71
, pp. 165-176
-
-
Zogg, A.1
Fischer, U.2
Hungerbühler, K.3
-
3
-
-
0023230833
-
Isothermal reaction calorimeters: I. A literature review
-
Karlsen L.G., and Villadsen J. Isothermal reaction calorimeters: I. A literature review. Chem. Eng. Sci. 42 (1987) 1153-1164
-
(1987)
Chem. Eng. Sci.
, vol.42
, pp. 1153-1164
-
-
Karlsen, L.G.1
Villadsen, J.2
-
4
-
-
0000878743
-
Expanding the role of reaction calorimetry
-
Landau R.N. Expanding the role of reaction calorimetry. Thermochim. Acta 289 (1996) 101-126
-
(1996)
Thermochim. Acta
, vol.289
, pp. 101-126
-
-
Landau, R.N.1
-
5
-
-
0009351297
-
The development of stirred-tank heat flow calorimetry as a tool for process optimization and process safety
-
Regenass W. The development of stirred-tank heat flow calorimetry as a tool for process optimization and process safety. Chimia 51 (1997) 189-200
-
(1997)
Chimia
, vol.51
, pp. 189-200
-
-
Regenass, W.1
-
6
-
-
0034984668
-
Safety assessment and optimization of semi-batch reactions by calorimetry
-
Ubrich F.S.O. Safety assessment and optimization of semi-batch reactions by calorimetry. J. Therm. Anal. Calorim. 64 (2001) 61-74
-
(2001)
J. Therm. Anal. Calorim.
, vol.64
, pp. 61-74
-
-
Ubrich, F.S.O.1
-
9
-
-
22744443220
-
Reaction progress kinetic analysis: a powerful methodology for mechanistic studies of complex catalytic reactions
-
Blackmond D.G. Reaction progress kinetic analysis: a powerful methodology for mechanistic studies of complex catalytic reactions. Angew. Chem. Int. Ed. 44 (2005) 4302-4320
-
(2005)
Angew. Chem. Int. Ed.
, vol.44
, pp. 4302-4320
-
-
Blackmond, D.G.1
-
10
-
-
0029528716
-
In-situ Fourier transform infrared and calorimetric studies of the preparation of a pharmaceutical intermediate
-
Landau R.N., McKenzie R.F., Forman A.L., Dauer R.R., Futran M., and Epstein A.D. In-situ Fourier transform infrared and calorimetric studies of the preparation of a pharmaceutical intermediate. Process Control Qual. 7 (1995) 133-142
-
(1995)
Process Control Qual.
, vol.7
, pp. 133-142
-
-
Landau, R.N.1
McKenzie, R.F.2
Forman, A.L.3
Dauer, R.R.4
Futran, M.5
Epstein, A.D.6
-
11
-
-
0032385906
-
A combined approach to characterization of catalytic reactions using in situ kinetic probes
-
LeBlond C., Wang J., Larsen R., Orella C., and Sun Y.K. A combined approach to characterization of catalytic reactions using in situ kinetic probes. Top. Catal. 5 (1998) 149-158
-
(1998)
Top. Catal.
, vol.5
, pp. 149-158
-
-
LeBlond, C.1
Wang, J.2
Larsen, R.3
Orella, C.4
Sun, Y.K.5
-
12
-
-
15444365721
-
Preparation of Grignard reagents: FTIR and calorimetric investigation for safe scale-up
-
am Ende D.J., Clifford P.J., Antonis D.M.D., Maria C.S., and Bernek S.J. Preparation of Grignard reagents: FTIR and calorimetric investigation for safe scale-up. Org. Process Res. Dev. 3 (1999) 319-329
-
(1999)
Org. Process Res. Dev.
, vol.3
, pp. 319-329
-
-
am Ende, D.J.1
Clifford, P.J.2
Antonis, D.M.D.3
Maria, C.S.4
Bernek, S.J.5
-
13
-
-
0033360579
-
Optimal feed profile for a second order reaction in a semi-batch reactor under safety constraints. Experimental study
-
Ubrich O., Srinivasan B., Lerena P., Bonvin D., and Stoessel F. Optimal feed profile for a second order reaction in a semi-batch reactor under safety constraints. Experimental study. J. Loss Prev. Process Ind. 12 (1999) 485-493
-
(1999)
J. Loss Prev. Process Ind.
, vol.12
, pp. 485-493
-
-
Ubrich, O.1
Srinivasan, B.2
Lerena, P.3
Bonvin, D.4
Stoessel, F.5
-
14
-
-
0035977060
-
Detection and characterization of water alcohol hydrates by on-line FTIR using multivariate data analysis
-
Nomen R., Sempere J., and Avilés K. Detection and characterization of water alcohol hydrates by on-line FTIR using multivariate data analysis. Chem. Eng. Sci. 56 (2001) 6577-6588
-
(2001)
Chem. Eng. Sci.
, vol.56
, pp. 6577-6588
-
-
Nomen, R.1
Sempere, J.2
Avilés, K.3
-
15
-
-
0242385657
-
Characterizing batch reactions with in situ spectroscopic measurements, calorimetry and dynamic modeling
-
Ma B., Gemperline P.J., Cash E., Bosserman M., and Comas E. Characterizing batch reactions with in situ spectroscopic measurements, calorimetry and dynamic modeling. J. Chemom. 17 (2003) 470-479
-
(2003)
J. Chemom.
, vol.17
, pp. 470-479
-
-
Ma, B.1
Gemperline, P.J.2
Cash, E.3
Bosserman, M.4
Comas, E.5
-
16
-
-
5144220601
-
A pressure-resistant small-scale reaction calorimeter that combines the principles of power compensation and heat balance (CRC.v4)
-
Visentin F., Gianoli S.I., Zogg A., Kut O.M., and Hungerbuhler K. A pressure-resistant small-scale reaction calorimeter that combines the principles of power compensation and heat balance (CRC.v4). Org. Process Res. Dev. 8 (2004) 725-737
-
(2004)
Org. Process Res. Dev.
, vol.8
, pp. 725-737
-
-
Visentin, F.1
Gianoli, S.I.2
Zogg, A.3
Kut, O.M.4
Hungerbuhler, K.5
-
17
-
-
0034868132
-
Genetic algorithms in chemometrics and chemistry: a review
-
Leardi R. Genetic algorithms in chemometrics and chemistry: a review. J. Chemom. 15 (2001) 559-569
-
(2001)
J. Chemom.
, vol.15
, pp. 559-569
-
-
Leardi, R.1
-
18
-
-
0037454027
-
A new small-scale reaction calorimeter that combines the principles of power compensation and heat balance
-
Zogg A., Fischer U., and Hungerbühler K. A new small-scale reaction calorimeter that combines the principles of power compensation and heat balance. Ind. Eng. Chem. Res. 42 (2003)
-
(2003)
Ind. Eng. Chem. Res.
, vol.42
-
-
Zogg, A.1
Fischer, U.2
Hungerbühler, K.3
-
19
-
-
32444439988
-
Modeling of batch reactions with in situ spectroscopic measurements and calorimetry
-
Puxty G., Maeder M., Rhinehart R.R., Alam S., Moore S., and Gemperline P.J. Modeling of batch reactions with in situ spectroscopic measurements and calorimetry. J. Chemom. 19 (2005) 329-340
-
(2005)
J. Chemom.
, vol.19
, pp. 329-340
-
-
Puxty, G.1
Maeder, M.2
Rhinehart, R.R.3
Alam, S.4
Moore, S.5
Gemperline, P.J.6
-
20
-
-
0037114558
-
Nonlinear kinetic parameter estimation using simulated annealing
-
Eftaxias A., Font J., Fortuny A., Fabregat A., and Stüber F. Nonlinear kinetic parameter estimation using simulated annealing. Comput. Chem. Eng. 26 (2002) 1725-1733
-
(2002)
Comput. Chem. Eng.
, vol.26
, pp. 1725-1733
-
-
Eftaxias, A.1
Font, J.2
Fortuny, A.3
Fabregat, A.4
Stüber, F.5
-
21
-
-
0041721036
-
Simulated annealing search algorithm for the determination of activation energies and Arrhenius prefactors from limited experimental kinetic data
-
Terry D.B., Bader J.L., and Messina M. Simulated annealing search algorithm for the determination of activation energies and Arrhenius prefactors from limited experimental kinetic data. J. Chem. Inf. Comput. Sci. 39 (1999) 204-1210
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 204-1210
-
-
Terry, D.B.1
Bader, J.L.2
Messina, M.3
-
22
-
-
0742269661
-
Global optimisation of dynamic systems
-
Papamichail I., and Adjiman C.S. Global optimisation of dynamic systems. Comput. Chem. Eng. 28 (2004) 403-415
-
(2004)
Comput. Chem. Eng.
, vol.28
, pp. 403-415
-
-
Papamichail, I.1
Adjiman, C.S.2
-
23
-
-
1142285281
-
Application of a genetic algorithm: near optimal estimation of the rate and equilibrium constants of complex reaction mechanisms
-
Maeder M., Neuhold Y.-M., and Puxty G. Application of a genetic algorithm: near optimal estimation of the rate and equilibrium constants of complex reaction mechanisms. Chemom. Intell. Lab. Syst. 70 (2004) 193-203
-
(2004)
Chemom. Intell. Lab. Syst.
, vol.70
, pp. 193-203
-
-
Maeder, M.1
Neuhold, Y.-M.2
Puxty, G.3
-
24
-
-
0033970549
-
A genetic algorithm with decimal coding for the estimation of kinetic and energetic parameters
-
Balland L., Estel L., Cosmao J.-M., and Mouhab N. A genetic algorithm with decimal coding for the estimation of kinetic and energetic parameters. Chemom. Intell. Lab. Syst. 50 (2000) 121-135
-
(2000)
Chemom. Intell. Lab. Syst.
, vol.50
, pp. 121-135
-
-
Balland, L.1
Estel, L.2
Cosmao, J.-M.3
Mouhab, N.4
-
25
-
-
9544248687
-
A hybrid genetic algorithm for efficient parameter estimation of large kinetic models
-
Katare S., Bhan A., Caruthers J.M., Delgass W.N., and Venkatasubramanian V. A hybrid genetic algorithm for efficient parameter estimation of large kinetic models. Comp. Chem. Eng. 28 (2004) 2569-2581
-
(2004)
Comp. Chem. Eng.
, vol.28
, pp. 2569-2581
-
-
Katare, S.1
Bhan, A.2
Caruthers, J.M.3
Delgass, W.N.4
Venkatasubramanian, V.5
-
27
-
-
4644246639
-
Towards a better understanding of the epoxy-polymerization process using multi-objective evolutionary computation
-
Deb K., Mitra K., Dewri R., and Majumdar S. Towards a better understanding of the epoxy-polymerization process using multi-objective evolutionary computation. Chem. Eng. Sci. 59 (2004) 4261-4277
-
(2004)
Chem. Eng. Sci.
, vol.59
, pp. 4261-4277
-
-
Deb, K.1
Mitra, K.2
Dewri, R.3
Majumdar, S.4
-
28
-
-
1042286434
-
Multi-objective process design in multi-purpose batch plants using a Tabu Search optimization algorithm
-
Cavin L., Fischer U., Glover F., and Hungerbühler K. Multi-objective process design in multi-purpose batch plants using a Tabu Search optimization algorithm. Comput. Chem. Eng. 28 (2004) 459-478
-
(2004)
Comput. Chem. Eng.
, vol.28
, pp. 459-478
-
-
Cavin, L.1
Fischer, U.2
Glover, F.3
Hungerbühler, K.4
-
29
-
-
24944546196
-
Identification of splice acceptor sites based on multi-objective optimization
-
Zhao J., Zhu Y.-M., Song P.-M., Fang Q., and Luo J.-H. Identification of splice acceptor sites based on multi-objective optimization. Acta Biochim. Biophys. Sin. 37 (2005) 435-439
-
(2005)
Acta Biochim. Biophys. Sin.
, vol.37
, pp. 435-439
-
-
Zhao, J.1
Zhu, Y.-M.2
Song, P.-M.3
Fang, Q.4
Luo, J.-H.5
-
30
-
-
33745808624
-
Comparison of protein structures by multi-objective optimization
-
Chen L., Wang Y., Wu L.-Y., Zhang S., Wang R., and Zhang X.-S. Comparison of protein structures by multi-objective optimization. Genome Inform. Ser. 16 (2005) 114-124
-
(2005)
Genome Inform. Ser.
, vol.16
, pp. 114-124
-
-
Chen, L.1
Wang, Y.2
Wu, L.-Y.3
Zhang, S.4
Wang, R.5
Zhang, X.-S.6
-
32
-
-
0028127257
-
Second-order globalisation for the determination of activation parameters in kinetics
-
Bugnon P., Chottard J.C., Jestin J.L., Jung B., Laurenczy G., Maeder M., Merbach A.E., and Zuberbühler A.D. Second-order globalisation for the determination of activation parameters in kinetics. Anal. Chim. Acta 298 (1994) 193-201
-
(1994)
Anal. Chim. Acta
, vol.298
, pp. 193-201
-
-
Bugnon, P.1
Chottard, J.C.2
Jestin, J.L.3
Jung, B.4
Laurenczy, G.5
Maeder, M.6
Merbach, A.E.7
Zuberbühler, A.D.8
-
33
-
-
0030728038
-
Second order global analysis - the evaluation of series of spectrophotometric titrations for improved determination of equilibrium constants
-
Dyson R.M., Kaderli S., Lawrance G.A., Maeder M., and Zuberbühler A.D. Second order global analysis - the evaluation of series of spectrophotometric titrations for improved determination of equilibrium constants. Anal. Chim. Acta 353 (1997) 381-393
-
(1997)
Anal. Chim. Acta
, vol.353
, pp. 381-393
-
-
Dyson, R.M.1
Kaderli, S.2
Lawrance, G.A.3
Maeder, M.4
Zuberbühler, A.D.5
-
34
-
-
0038391801
-
Stability investigations of medically relevant complexes by the simultaneous analysis of series of spectrophotometric titrations
-
Dyson R.M., Lawrance G.A., Mäcke H., and Maeder M. Stability investigations of medically relevant complexes by the simultaneous analysis of series of spectrophotometric titrations. Polyhedron 18 (1999) 3243-3251
-
(1999)
Polyhedron
, vol.18
, pp. 3243-3251
-
-
Dyson, R.M.1
Lawrance, G.A.2
Mäcke, H.3
Maeder, M.4
-
36
-
-
33845493672
-
-
A. Popov, Genetic Algorithms for Optimization - GAmin - toolbox for MATLAB. 2003, http://www.automatics.hit.bg/.
-
-
-
-
37
-
-
0027945489
-
Understanding and using genetic algorithms: Part 2. Representation, configuration and hybridization
-
Lucasius C.B., and Kateman G. Understanding and using genetic algorithms: Part 2. Representation, configuration and hybridization. Chemom. Intell. Lab. Syst. 25 (1994) 99-145
-
(1994)
Chemom. Intell. Lab. Syst.
, vol.25
, pp. 99-145
-
-
Lucasius, C.B.1
Kateman, G.2
-
38
-
-
33845474080
-
-
Matlab, Matlab Optimization Toolbox. 2004, http://www.mathworks.com/products/optimization/.
-
-
-
-
39
-
-
37049074360
-
Single-step methods for calculating activation parameters from raw kinetic data
-
Bunce N.J., Forber C.L., and Hutson C.M.a.J.M. Single-step methods for calculating activation parameters from raw kinetic data. J. Chem. Soc., Perkin Trans. 2 3 (1988) 363-368
-
(1988)
J. Chem. Soc., Perkin Trans.
, vol.2
, Issue.3
, pp. 363-368
-
-
Bunce, N.J.1
Forber, C.L.2
Hutson, C.M.a.J.M.3
-
40
-
-
0033554472
-
Planning of experiments and kinetic analysis
-
Buzzi-Ferraris G. Planning of experiments and kinetic analysis. Catal. Today 52 (1999) 125-132
-
(1999)
Catal. Today
, vol.52
, pp. 125-132
-
-
Buzzi-Ferraris, G.1
-
41
-
-
0037471421
-
Estimation of kinetic parameters from non-isothermal batch experiments monitored by in situ vibrational spectroscopy
-
Furusjö E., Svensson O., and Danielsson L.-G. Estimation of kinetic parameters from non-isothermal batch experiments monitored by in situ vibrational spectroscopy. Chemom. Intell. Lab. Syst. 66 (2003) 1-14
-
(2003)
Chemom. Intell. Lab. Syst.
, vol.66
, pp. 1-14
-
-
Furusjö, E.1
Svensson, O.2
Danielsson, L.-G.3
-
42
-
-
21844490598
-
Bounded-variable least-squares: an algorithm and applications
-
Stark P.B., and Parker R.L. Bounded-variable least-squares: an algorithm and applications. Comp. Stat. 10 (1995) 129-141
-
(1995)
Comp. Stat.
, vol.10
, pp. 129-141
-
-
Stark, P.B.1
Parker, R.L.2
-
44
-
-
0000695208
-
The epoxidation of 2,5-di-tert-butyl-1,4-benzoquinone: a consecutive reaction for the physical chemistry laboratory
-
Hairfield E.M., Moomaw E.W., Tamburri R.A., and Vigil R.A. The epoxidation of 2,5-di-tert-butyl-1,4-benzoquinone: a consecutive reaction for the physical chemistry laboratory. J. Chem. Educ. 62 (1985) 175-177
-
(1985)
J. Chem. Educ.
, vol.62
, pp. 175-177
-
-
Hairfield, E.M.1
Moomaw, E.W.2
Tamburri, R.A.3
Vigil, R.A.4
-
45
-
-
0032461608
-
Rapid estimation of rate constants of batch processes using on-line SW-NIR
-
Bijlsma S., Louwerse D.J., and Smilde A.K. Rapid estimation of rate constants of batch processes using on-line SW-NIR. AIChE J. 44 (1998) 2713-2723
-
(1998)
AIChE J.
, vol.44
, pp. 2713-2723
-
-
Bijlsma, S.1
Louwerse, D.J.2
Smilde, A.K.3
-
46
-
-
10044254301
-
Identification of kinetic and thermodynamic reaction parameters from online calorimetric and IR-ATR data using a new combined evaluation algorithm
-
Zogg A., Fischer U., and Hungerbühler K. Identification of kinetic and thermodynamic reaction parameters from online calorimetric and IR-ATR data using a new combined evaluation algorithm. Chem. Eng. Sci. 59 (2004) 5795-5806
-
(2004)
Chem. Eng. Sci.
, vol.59
, pp. 5795-5806
-
-
Zogg, A.1
Fischer, U.2
Hungerbühler, K.3
-
48
-
-
0011164038
-
Mono- and diepoxy-1,4-benzoquinones
-
Moore H.W. Mono- and diepoxy-1,4-benzoquinones. J. Org. Chem. 32 (1967) 1996-1999
-
(1967)
J. Org. Chem.
, vol.32
, pp. 1996-1999
-
-
Moore, H.W.1
|