Sequential statistical design strategy in a kinetic study of propylene oxidation

Tan, Haojie; Bacon, D. W.; Downie, J.

doi:10.1002/cjce.5450670308

Cited by 3 publications

(15 citation statements)

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“…An initial-rate study of propylene oxidation was completed first (Tan et al, 1988), using a joint criterion design for model discrimination and parameter estimation (Tan et al, 1989). The results were combined with results from a previous initial-rate study of propylene oxidation on the same catalyst to develop a quantitative description of the reaction network for propylene oxidation.…”

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confidence: 99%

“…An initial-rate study of propylene oxidation was completed first (Tan et al, 1988), using a joint criterion design for model discrimination and parameter estimation (Tan et al, 1989). An initial-rate study of propylene oxidation was completed first (Tan et al, 1988), using a joint criterion design for model discrimination and parameter estimation (Tan et al, 1989).…”

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confidence: 99%

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The reaction network for the oxidation of propylene over a bismuth molybdate catalyst

1989

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An initial-rate study was conducted to determine the kinetics of the oxidation of acrolein over a bismuth molybdate catalyst. The results were combined with results from a previous initial-rate study of propylene oxidation on the same catalyst to develop a quantitative description of the reaction network for propylene oxidation.The redox steady-state model with half-order in oxygen which provided the best fit to the propylene oxidation data also provided the best fit to the acrolein oxidation data. The disappearance of propylene occurs through parallel reactions to acrolein, carbon oxides, and acetaldehyde, with subsequent oxidation of the acrolein to carbon oxides.Une Ctude de vitesse initiale a it6 effectuCe afin de determiner la cinktique de I'oxydation de I'acrolCine sur un catalyseur de rnolybdate de bismuth. Les rksultats ont CtC combinks h des donnCes antCrieures sur I'Ctude de vitesse initiale de I'oxydation du propyltne sur le rn&rne catalyseur pour rnettre au point une description quantitative du rCseau de rtaction pour I'oxydation du propyltne.Le modtle permanent d'oxydo-rCduction d'un demi-ordre en oxygtne qui concorde le mieux avec les donntes d'oxydation du propykne, est celui qui prCsente Cgalernent la rneiUeure concordance avec les donnks d'oxydation de I'acroltine. Le propyltne disparait lors de rCactions paralleles produisant I'acroltine, les oxydes de carbone et I'acCtaldChyde, suivies de I'oxydation de I'acrolCine en oxydes de carbone.he overall objective of this research was to develop a T quantitative description of the reaction network for the oxidation of propylene over a bismuth molybdate catalyst. An initial-rate study of propylene oxidation was completed first (Tan et al., 1988), using a joint criterion design for model discrimination and parameter estimation (Tan et al., 1989). The present paper reports the results of the final two stages of the work, namely, an initial-rate study of the oxidation of the intermediate acrolein, and the combination of propylene and acrolein results to develop a quantitative description of the reaction network.The first point to be resolved when modelling a reaction network is whether the individual steps can be adequately described by the same kinetic model form. Different model forms can be used for each step but the network model is simpler if this is not necessary. In the case of propylene and acrolein there are reports of different models being required for each (Cartlidge et al., 1975, using bismuth molybdate, and Forissier et al., 1979, using iron molybdate).

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“…An initial-rate study of propylene oxidation was completed first (Tan et al, 1988), using a joint criterion design for model discrimination and parameter estimation (Tan et al, 1989). An initial-rate study of propylene oxidation was completed first (Tan et al, 1988), using a joint criterion design for model discrimination and parameter estimation (Tan et al, 1989).…”

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confidence: 99%

The reaction network for the oxidation of propylene over a bismuth molybdate catalyst

1989

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“…For each of the two sets of experiments in Figure 1, the parameter estimates are reported for the experimental and high error variances. All our estimates are obtained one run after discrimination is achieved and surprisingly have narrower confidence limits than those reported by Tan et al (1988Tan et al ( , 1989, Table 1. The parameter values we selected for simulation (bottom of Table 1) are contained in all the confidence intervals except one.…”

Section: Precise Parameter Estimationmentioning

confidence: 46%

“…However, their study showed that the guesses could range over many orders of magnitude in a wide variety of combinations. Yet, the probability found for the correct model was essentially unity with the absolute minimum number of runs needed for discrimination.In this study, the Initial-runs JDC was used to discriminate between the two main rival kinetic models for the oxidation of propylene (Tan et al, 1989). The criterion was used to design all runs, including the preliminary ones, that in the work done by Tan et al (1989) were not designed by this criterion.…”

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Sequential design including initial experimental runs for a kinetic study of propylene oxidation

Akiti¹,

Bircumshaw²,

Eckert³

1997

Can J Chem Eng

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A sequential design strategy for selecting experimental runs to obtain model discrimination and precise parameter estimation is tested via a simulation study of propylene oxidation kinetics. The strategy is used to design all runs including the preliminary ones which were arbitrarily chosen by earlier researchers. To design initial runs, crude initial parameter guesses may be used in the rival models until least squares estimates can be calculated. Even under conditions of very bad initial guesses and high error variances, this procedure selects whichever model is the correct one and estimates with precision its parameters, in fewer runs than previously reported.On a teste par simulation des cinetiques d'oxydation du propylene une strategie de calcul sequentiel pour la selection des essais experimentaux en vue d'obtenir une discrimination des modeles et une estimation precise des parametres. Cette strategie est utiliste pour concevoir tous les essais, y compris les premiers, choisis arbitrairement par d'autres chercheurs. Pour concevoir les essais initiaux, on peut faire appel a des estimations approximatives de parametres initiales dans les modeles concurrents jusqu'a ce que les estimations au sens des moindres carrees puissent itre calculdes. M&me en cas d'estimations initiales tres mauvaises et de variances d'erreurs importantes, cette methode permet de selectionner quel sera le bon modele et d'estimer avec precision ses parametres, et ce avec moins d'essais que mentionnes jusque la.Keywords: experimental design, initial runs, model discrimination, parameter estimation, propylene oxidation.here are two main objectives when using a statistical T design strategy in chemical kinetic modeling: (i) to establish a preferred rate mechanism for the reaction under study -this involves selecting several models based on different assumptions, and then performing experimental runs to discriminate among the various models, and (ii) to obtain the precise parameter estimates in the preferred model. To discriminate among several suggested models, carehlly chosen experimental conditions are needed. Arbitrarily collected data require too many runs and may even lead to the wrong model being chosen, as was found in the study by Froment and Mezaki (1970). First, a feasible experimental region of the several factors, from which experimental runs will be conducted, is selected. Then, statistical techniques can be used to chose the run conditions which lead to the preferred model most expeditiously.A Joint Design Criterion (JDC) developed by Hill et al. (1968) solves both problems of model discrimination and precise parameter estimation simultaneously in sequential m s . However as presented, the JDC designs runs only after a set of preliminary runs are conducted and analyzed. Sane et al. (1973), proposed a modified form of the JDC which designs all runs sequentially starting from the first one. With their Initial-runs JDC, crude guesses could be used as the initial parameters. Sane et al. (1973) demonstrated that desigmng the i...

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The quantitative analysis of multi-reactions on SCR Process

Toyoda¹,

Ibabashi²,

Iiyama³

et al. 1999

Science and Technology in Catalysis 1998, Proceedings of the Third Tokyo Conference on Advanced Catalytic Science and Technolog

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Sequential statistical design strategy in a kinetic study of propylene oxidation

Cited by 3 publications

References 7 publications

The reaction network for the oxidation of propylene over a bismuth molybdate catalyst

The reaction network for the oxidation of propylene over a bismuth molybdate catalyst

Sequential design including initial experimental runs for a kinetic study of propylene oxidation

The quantitative analysis of multi-reactions on SCR Process

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