Optimisation of olefin epoxidation catalysts with the application of high-throughput and genetic algorithms assisted by artificial neural networks (softcomputing techniques)

Various transition-metal-free oxides have been studied as catalysts for the epoxidation of cyclooctene with hydrogen peroxide by means of high-throughput experimentation. Different boron, aluminium, and gallium oxides were prepared according to various synthesis methods. A number of pure aluminium and gallium oxides showed very good catalytic performances, while the results obtained with boron oxides or mixed oxides were less positive. The best results were obtained with a gallium oxide catalyst, which gave an epoxide yield of 71 % and a selectivity of 99 % after reaction for 4 h at 80 degrees C. Gallium oxides had not been reported previously as active epoxidation catalysts. The use of high-throughput experimentation proved useful both for discovering new active catalysts and for identifying a number of relationships between the synthesis conditions and the catalytic properties of the transition-metal-free oxides.

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“…Both a full factorial approach and search algorithms have found application in HTE studies of the catalytic epoxidation of alkenes. [20,21] …”

Section: Introductionmentioning

confidence: 99%

Novel Transition‐Metal‐Free Heterogeneous Epoxidation Catalysts Discovered by Means of High‐Throughput Experimentation

Pescarmona

Janssen

Jacobs

2007

Chemistry A European J

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“…The results indicate that the predominant product was cyclohexene oxide [37]. In another study, TiO2-MCM-48 was prepared by a hydrothermal method at 150 °C for 20 h and using a gemini surfactant.…”

Section: Introductionmentioning

confidence: 98%

“…Titania based MCM-48 materials have been utilized for selective oxidation of styrene [31], 2,6-di-tert-butylphenol [32,33], methyloleate [34], and cyclohexene [25,[35][36][37][38][39]. TiO2-MCM-48 prepared by a hydrothermal method was examined for the catalytic oxidation of cyclohexene.…”

Section: Introductionmentioning

confidence: 99%

Investigation of Room Temperature Synthesis of Titanium Dioxide Nanoclusters Dispersed on Cubic MCM-48 Mesoporous Materials

Budhi

Zhao

et al. 2015

Catalysts

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Titania containing cubic MCM-48 mesoporous materials were synthesized successfully at room temperature by a modified Stöber method. The integrity of the cubic mesoporous phase was retained even at relatively high loadings of titania. The TiO2-MCM-48 materials were extensively characterized by a variety of physico-chemical techniques. The physico-chemical characterization indicate that Ti 4+ ions can be substituted in framework tetrahedral positions. The relative amount of Ti 4+ ions in tetrahedral position was dependent on the order of addition of the precursor. Even at relatively high loadings of titania, no distinct bulk phase of titania could be observed indicating that the titania nanoclusters are well dispersed on the high surface area mesoporous material and probably exist as amorphous nanoclusters. The TiO2-MCM-48 materials were found to exhibit 100% selectivity in the cyclohexene oxidation at room temperature in the presence of tert-butylhydroperoxide (t-BHP) as the oxidant. The results suggest that room temperature synthesis is an attractive option for the preparation of TiO2-MCM-48 materials with interesting catalytic properties. OPEN ACCESSCatalysts 2015, 5 1604

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“…Está basado en técnicas Soft Computing, combinando algoritmos genéticos y redes neuronales, siendo fruto de la evolución de las soluciones planteadas anteriormente en nuestros trabajos previos [Corma et al, 2002a;Valero et al, 2004b;Corma et al, 2005;Serra, 2004;Valero et al, 2004a].…”

Section: Métodos Híbridosunclassified

Arquitectura de búsqueda basada en técnicas soft computing para la resolución de problemas combinatorios en diferentes dominios de aplicación

Cubas¹

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Optimisation of olefin epoxidation catalysts with the application of high-throughput and genetic algorithms assisted by artificial neural networks (softcomputing techniques)

Cited by 83 publications

References 18 publications

Novel Transition‐Metal‐Free Heterogeneous Epoxidation Catalysts Discovered by Means of High‐Throughput Experimentation

Novel Transition‐Metal‐Free Heterogeneous Epoxidation Catalysts Discovered by Means of High‐Throughput Experimentation

Investigation of Room Temperature Synthesis of Titanium Dioxide Nanoclusters Dispersed on Cubic MCM-48 Mesoporous Materials

Arquitectura de búsqueda basada en técnicas soft computing para la resolución de problemas combinatorios en diferentes dominios de aplicación

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