Kinetic study of selective propane oxidation to acrylic acid over Mo1V0.3Te0.23Nb0.12Ox using the genetic algorithm

Mazloom, Golshan; Alavi, Seyed Mehdi

doi:10.1007/s11144-013-0607-9

Cited by 13 publications

(19 citation statements)

References 29 publications

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“…Several O 2 /C 3 H 8 and H 2 O/C 3 H 8 ratios have been investigated for testing the predictability of power law, Eley-Rideal (ER) and Mars-van-Krevelen (MvK) models. Mazloom et al [11] analysed these models and found that the oxygen dependency was described most accurately by the MvK model. In addition, they concluded that under water free conditions the propane activation is rate determining, whereas under wet conditions it is the oxygen activation.…”

Section: Kinetic Methods Model-free Kinetic Datamentioning

confidence: 99%

Constructing A Rational Kinetic Model of the Selective Propane Oxidation Over A Mixed Metal Oxide Catalyst

et al. 2018

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This research presents a kinetic investigation of the selective oxidation of propane to acrylic acid over a MoVTeNb oxide (M1 phase) catalyst. The paper contains both an overview of the related literature, and original results with a focus on kinetic aspects. Two types of kinetic experiments were performed in a plug flow reactor, observing (i) steady-state conditions (partial pressure variations) and (ii) the catalyst evolution as a function of time-on-stream. For this, the catalyst was treated in reducing atmosphere, before re-oxidising it. These observations in long term behaviour were used to distinguish different catalytic routes, namely for the formation of propene, acetic acid, acrylic acid, carbon monoxide and carbon dioxide. A partial carbon balance was introduced, which is a 'kinetic fingerprint', that distinguishes one type of active site from another. Furthermore, an 'active site' was found to consist of one or more 'active centres'. A rational mechanism was developed based on the theory of graphs and includes two time scales belonging to (i) the catalytic cycle and (ii) the catalyst evolution. Several different types of active sites exist, at least as many, as kinetically independent product molecules are formed over a catalyst surface.

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Section: Kinetic Methods Model-free Kinetic Datamentioning

confidence: 99%

Constructing A Rational Kinetic Model of the Selective Propane Oxidation Over A Mixed Metal Oxide Catalyst

et al. 2018

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“…It plays an important role considering the issues of optimization problems, such as the reactor design, 28 the optimization of reaction conditions 29 and the estimation of kinetic parameters. 30 Although GAs are estimated as expensive, they are employed for providing the global optima and a better solution.…”

Section: Roshanaei and Alavimentioning

confidence: 99%

Kinetic study of propane aromatization over Zn/HZSM-5 zeolite under conditions of catalyst deactivation using genetic algorithm

Roshanaei

Alavi

2018

JSCS

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The kinetic studies of propane aromatization reaction over Zn/ /HZSM-5 catalyst at temperature of 500-560 °C and space velocity of 500-2500 cm 3 g cat-1 h-1 , in a plug flow reactor, under catalyst deactivating conditions were performed. A lumped kinetic model consisting of six lumped components and six reaction steps was proposed to describe the aromatization of propane. The kinetic model involves 18 kinetic parameters and one catalyst deactivation constant. The reaction steps orders were obtained by the power law model. Frequency factors and the apparent activation energies of the reaction steps were calculated based on the Arrhenius equation. An exponential function depending on the time-on-stream was applied for the catalyst deactivation model and the kinetic parameters were calculated via a genetic algorithm. The kinetic results indicated that the lumped kinetic model can well estimate the product yields of propane aromatization.

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“…Calcination was carried out in a nitrogen flow environment at 600 °C. The furnace was heated at a rate of 5 °C/min up to 600 °C and held at that temperature for 2 h. The catalyst preparation procedure has been described in our previous work in detail [22].…”

Section: Catalyst Synthesismentioning

confidence: 99%

Modeling and Optimization of Propane Selective Oxidation to Acrylic Acid Over Mo 1 V 0.3 Te 0.23 NB 0.12 O X Catalyst Using Artificial Neural Network and Box-Behnken Design

Mazloom

2020

Chem. Eng. Res. Bull.

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The prediction capability of response surface methodology (RSM) and artificial neural network (ANN) models for propane selective oxidation to acrylic acid (AA) over Mo1V0.3Te0.23Nb0.12Ox catalyst was investigated in this work. 15 experimental runs based on the Box-Behnken design (BBD) were employed to study the effects of temperature (380 to 500 °C), superficial velocity (33.3 to 66.7 mL (min gcat)-1), (O2)/(C3H8) ratio (1 to 3) and their interactions on propane conversion, AA selectivity and COx selectivity. The quadratic polynomial BBD equations and the feed-forward back propagation ANN models were developed based on the designed experimental data. Statistical analysis; coefficient of determination (R2), mean absolute error (MAE) and analysis of variance (ANOVA) illustrated that there was acceptable adjustment between BBD and ANN predicted responses as compared to experimental data. While, the ANN model showed a clear preference and generalization capability over BBD model in the case of experimental data set which were not used to training the models. In addition the optimum conditions were found to be temperature (461.7 °C), GHSV (51.9 mL (min gcat)-1) and (O2)/(C3H8) ratio (2.1) which were determined by desirability function approach. In these conditions, propane conversion of 15.2%, AA selectivity of 32% and COx selectivity of 44% which obtained experimentally were in reasonable agreement with predicted responses. Chemical Engineering Research Bulletin 21(2019) 1-19

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Kinetic study of selective propane oxidation to acrylic acid over Mo1V0.3Te0.23Nb0.12Ox using the genetic algorithm

Cited by 13 publications

References 29 publications

Constructing A Rational Kinetic Model of the Selective Propane Oxidation Over A Mixed Metal Oxide Catalyst

Constructing A Rational Kinetic Model of the Selective Propane Oxidation Over A Mixed Metal Oxide Catalyst

Kinetic study of propane aromatization over Zn/HZSM-5 zeolite under conditions of catalyst deactivation using genetic algorithm

Modeling and Optimization of Propane Selective Oxidation to Acrylic Acid Over Mo 1 V 0.3 Te 0.23 NB 0.12 O X Catalyst Using Artificial Neural Network and Box-Behnken Design

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