Oxidative dehydrogenation of n-butane to butadiene over Bi–Ni–O/γ-alumina catalyst

Jermy, B. Rabindran; Ajayi, Babajide Patrick; Abussaud, Basim; Asaoka, Sachio; Al-Khattaf, S.

doi:10.1016/j.molcata.2015.01.016

Cited by 30 publications

(25 citation statements)

References 27 publications

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“…OC product formation increased in a 2 nd ‐order curve with reaction temperature which indicates a higher cracking rate as temperature increases. PO selectivity maintained a low value with slight reduction at a higher temperature which agrees with our previous report, revealing that OC and PO reactions take place independently on activated oxygen sites and concentrated oxygen sites respectively.…”

Section: Resultssupporting

confidence: 92%

“…The present manuscript is a follow‐up to our previous studies . In this contribution, a series of 0.30 g/g Bi‐0.20 g/g Ni oxides on different supports (TiC, SiC, and Silicalite‐1) together with unsupported Bi‐Ni catalyst (only metal oxide species) were synthesized.…”

Section: Introductionmentioning

confidence: 83%

“…In previous research, the role of different metal oxides loaded on various supports, Al 2 O 3 , MgO, SiO 2 , and SiC have been investigated for ODH. Among the oxide catalysts, bimetallic Bi‐Ni oxide supported catalysts have been the most attractive for ODH owing to their high activity . We have previously demonstrated that 0.30 g/g Bi‐0.20 g/g Ni/Al 2 O 3 catalyst exhibited the highest butane conversion and dehydrogenation selectivity of 24 % and 75.1 % respectively.…”

Section: Introductionmentioning

confidence: 99%

“…Our previous contributions were devoted to the Bi–Ni–O/Al 2 O 3 catalyst and influence of calcination on the catalytic performance. To the best of our knowledge, a few systematic studies on the influence of different support materials have been reported for ODH of n ‐butane.…”

Section: Introductionmentioning

confidence: 99%

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Bimetallic Bi‐Ni oxides over carbide supports for oxidative dehydrogenation of n‐butane: Experimental and kinetic modelling

et al. 2018

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n‐butane oxidative dehydrogenation was studied over Bi‐Ni/TiC, Bi‐Ni/SiC, Bi‐Ni/Silicalite‐1, and unsupported Bi‐Ni catalyst. The co‐impregnation technique was followed, with fixed 0.30 and 0.20 g/g for Bi and Ni respectively. The physico‐chemical properties were measured by means of BET, XRD, CO2/NH3‐TPD, and H2‐TPR techniques. The catalytic test results revealed that bimetallic Bi‐Ni/TiC catalyst exhibited the highest n‐butane conversion of 16.6 % with dehydrogenation selectivity of 83.7 % (1,3‐butadiene and butenes selectivity of 50.7 % and 33 % respectively). As regards Bi‐Ni/TiC catalyst, the main operating parameters including O2/n‐C4H10 feed ratio, space velocity, and reaction temperature were varied. The Bi‐Ni/TiC catalyst showed adequate stability for a 10 h time on stream test. The high performance of Bi‐Ni‐O/TiC catalyst is attributed to the synergistic role of reducibility, presence of strong basic sites and weak acidic sites, and an increased metal species dispersion over the TiC support. A kinetic study of n‐butane oxidative dehydrogenation was carried out. The apparent activation energy for formation of butadiene was estimated to be the lowest (15 kJ/mol), while the highest activation energy (105 kJ/mol) is required for the undesirable cracking reaction.

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Section: Resultssupporting

confidence: 92%

Section: Introductionmentioning

confidence: 83%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Bimetallic Bi‐Ni oxides over carbide supports for oxidative dehydrogenation of n‐butane: Experimental and kinetic modelling

et al. 2018

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“…Combining the above two background technologies, Bi-Ni oxide on Al 2 O 3 was studied as catalyst for n-butane oxidative dehydrogenation to butadiene in our previous work30 . 30wt%Bi-20wt%Ni-O/Al 2 O 3 catalyst suppressed CO/H 2 production and showed high activity and selectivity.…”

mentioning

confidence: 99%

Influence of calcination on performance of Bi–Ni–O/gamma-alumina catalyst for n-butane oxidative dehydrogenation to butadiene

Jermy

Asaoka

Al-Khattaf

2015

Catal. Sci. Technol.

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Influence of calcination on the binary-metal oxide 30wt%Bi-20wt%Ni-O /gamma-Al 2 O 3 catalyst was studied for n-butane oxidative dehydrogenation to 1,3-butadiene. The importance of the calcination was confirmed with the facts that 1) the two step calcination of more than 2 h at 2 nd step resulted in higher activity and selectivity to butadiene and 2) the second step calcination temperatures showed clear effects on the activity and the selectivity. The activity showed a trend of volcano shape with the top at 590 o C at lower reaction temperature, 400 o C or a down-slope shape at 450 o C. As for the reaction selectivity, either the total dehydrogenation or the specific butadiene selectivity showed a volcano shape with the calcination temperature. The top along the calcination temperature existed at 590 o C in both cases of 400 o C and 450 o C reaction temperatures.Reversely, the selectivity of oxygenate formation (partially followed by cracking) or partial oxidation to CO/H 2 showed a valley shape with the bottom at 590 o C or 650 o C along the calcination temperature, respectively. The butadiene selectivity was more strongly influenced competitively by both of the oxygenate formation and the partial oxidation. From the catalyst characterization, it was observed that the redox and acid/base system (active and selective to the reaction) of the combined oxides with porous structure is formed as the cohabitation consisting of 'hierarchical nano-particles' (NiO, alpha-/beta-Bi 2 O 3 and gamma-Al 2 O 3 ) resulted from the catalyst calcination in a preferable condition. Research highlight• Oxidative dehydrogenation of n-butane to butadiene was studied on Bi-Ni-O/gamma-alumina catalyst. • Condition of catalyst calcination mainly effects on the selectivity. • The calcination temperature results a volcano shape effect on the selectivity. • The selective catalyst by calcination is consisting of hierarchical nano-particle cohabitation. AbstractInfluence of calcination on the binary-metal oxide 30wt%Bi-20wt%Ni-O /gamma-Al 2 O 3 catalyst was studied for n-butane oxidative dehydrogenation to 1,3-butadiene. The importance of the calcination was confirmed with the facts that 1) the two step calcination of more than 2 h at 2 nd step resulted in higher activity and selectivity to butadiene and 2) the second step calcination temperatures showed clear effects on the activity and the selectivity. The activity showed a trend of volcano shape with the top at 590 o C at lower reaction temperature, 400 o C or a down-slope shape at 450 o C. As for the reaction selectivity, either the total dehydrogenation or the specific butadiene selectivity showed a volcano shape with the calcination temperature. The top along the calcination temperature existed at 590 o C in both cases of 400 o C and 450 o C reaction temperatures.Reversely, the selectivity of oxygenate formation (partially followed by cracking) or partial oxidation to CO/H 2 showed a valley shape with the bottom at 590 o C or 650 o C along the calcination temperature, respectively. The b...

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Developing Machine Learning Models for Catalysts in Oxidative Dehydrogenation of n‐butane

et al. 2023

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1,3‐butadiene is widely used as a raw material in the synthesis of rubber and automobile tires. In this study, machine learning models were utilized to predict the performance of catalysts in the oxidative dehydrogenation of n‐butane to 1,3‐butadiene., The datasets consisted of 304 data points generated from experiments conducted in a fixed‐bed reactor in the temperature range of 400– 500 °C and O2/C4 molar feed ratio of 1–4 mol/mol, using metal oxides of Nickel (Ni), Iron (Fe), Cobalt (Co), Bismuth (Bi), Molybdenum (Mo), Manganese (Mn) and Tungsten (W) supported on gamma alumina catalysts. Repeated 10‐fold cross‐validation was used, with 70 % of the datasets randomly selected for training and optimizing the models, whereas the remaining 30 % were used for testing the models. Among the various models examined, support vector machine with radial basis function (SVMR) model had the best coefficient of determination (R2) performance for the n‐butane conversion (training set: 98.3 % vs. test set: 88.3 %) and 1,3‐butadiene selectivity (training set: 94.0 % vs. test set: 88.6 %). In addition, the models had the lowest training and test mean absolute errors (MAE) and root mean square errors (RMSE). This study highlights the notable role of machine learning algorithms in enhancing the prediction of n‐butane oxidative dehydrogenation catalyst performance, thus promoting the development of more effective catalyst designs that exhibit high activity and selectivity, contributing positively to the field of heterogeneous catalysis. Notably, a user‐friendly application incorporating the developed machine learning models was developed, providing an invaluable tool for the real‐time on‐site prediction of catalyst performance in the oxidative dehydrogenation of n‐butane to 1,3‐butadiene. This application is a significant advancement, facilitating swift and accurate catalyst performance prediction, fostering more efficient catalyst design, streamlining, and revolutionizing the rubber and automobile tire synthesis industries.

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Oxidative dehydrogenation of n-butane to butadiene over Bi–Ni–O/γ-alumina catalyst

Cited by 30 publications

References 27 publications

Bimetallic Bi‐Ni oxides over carbide supports for oxidative dehydrogenation of n‐butane: Experimental and kinetic modelling

Bimetallic Bi‐Ni oxides over carbide supports for oxidative dehydrogenation of n‐butane: Experimental and kinetic modelling

Influence of calcination on performance of Bi–Ni–O/gamma-alumina catalyst for n-butane oxidative dehydrogenation to butadiene

Developing Machine Learning Models for Catalysts in Oxidative Dehydrogenation of n‐butane

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