scholarly journals Review on Alternative Route to Acrolein through Oxidative Coupling of Alcohols

Catalysts ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 229
Author(s):  
Vincent Folliard ◽  
Jacopo de Tommaso ◽  
Jean-Luc Dubois
Keyword(s):  
Oxidative Coupling ◽  
Pilot Scale ◽  
Single Step ◽  
Direct Oxidation ◽  
Acid Base ◽  
Technical Problems ◽  
Investment Cost ◽  
Patent Literature ◽  
Prime Target ◽  
Exothermic Oxidation

Oxidative coupling of alcohols using methanol and ethanol, which can both be made renewable, is an attractive route to produce acrolein (propenaldehyde) in a single-step process. Currently acrolein is produced by direct oxidation of fossil propylene, and catalytic double dehydration of glycerol has been also investigated up to pilot scale. Although glycerol is an attractive feedstock, it suffers of several drawbacks. Addressing the limitations of both routes, the oxidative coupling of alcohols combines an exothermic oxidation and cross-aldolization. The best performing catalysts so far combine redox and acid/base sites. Reviewing the academic and patent literature, the present paper also addresses the economic analysis, to highlight the potential of this reaction at a yield from 70%, and at two different plant scales. The analysis has been made to guide further research, with the remaining technical problems to solve. Improved selectivity contributing to reduce the amount of equipment and the investment cost should be the prime target.

scholarly journals Automatic Retrosynthetic Pathway Planning Using Template-free Models

2019 ◽  
Author(s):  
Kangjie Lin ◽  
Jianfeng Pei ◽  
Luhua Lai ◽  
Youjun Xu,
Keyword(s):  
Monte Carlo ◽  
Route Planning ◽  
The United States ◽  
Single Step ◽  
Drug Candidate ◽  
Tree Search ◽  
Monte Carlo Tree Search ◽  
Patent Literature ◽  
Acute Myeloid Leukemia Cells ◽  
Transformer Model

<div><div><div><p>We present an attention-based Transformer model for automatic retrosynthesis route planning. Our approach starts from <a></a><a>reactants prediction of single-step organic reactions for gi</a>ven products, <a>followed by Monte Carlo tree search-based automatic retrosynthetic pathway prediction</a>. Trained on two datasets from the United States patent literature, our models achieved a top-1 prediction accuracy of over 54.6% and 63.0% with more than 95% and 99.6% validity rate of SMILES, respectively, which is the best up to now to our knowledge. We also demonstrate the application potential of our model by successfully performing multi-step retrosynthetic route planning for four case products, i.e., antiseizure drug Rufinamide, a novel allosteric activator, an inhibitor of human acute-myeloid-leukemia cells and a complex intermediate of drug candidate. Further, by using heuristics Monte Carlo tree search, we achieved automatic retrosynthetic pathway searching and successfully reproduced published synthesis pathways. In summary, our model has achieved the state-of-the-art performance on single-step retrosynthetic prediction and provides a novel strategy for automatic retrosynthetic pathway planning. </p><div> <div><div><p><br></p></div></div><div><div> </div> </div> </div><br><p></p></div></div></div>

Inside Cover: Influence of Catalyst Acid/Base Properties in Acrolein Production by Oxidative Coupling of Ethanol and Methanol (ChemSusChem 9/2017)

ChemSusChem ◽  
2017 ◽  
Vol 10 (9) ◽  
pp. 1859-1859
Author(s):  
Aleksandra Lilić ◽  
Simona Bennici ◽  
Jean‐François Devaux ◽  
Jean‐Luc Dubois ◽  
Aline Auroux
Keyword(s):  
Oxidative Coupling ◽  
Acid Base ◽  
Base Properties

Iron phosphate nanoparticle catalyst for direct oxidation of methane into formaldehyde: effect of surface redox and acid–base properties

2021 ◽  
Author(s):  
Aoi Matsuda ◽  
Haruka Tateno ◽  
Keigo Kamata ◽  
Michikazu Hara
Keyword(s):  
Iron Phosphate ◽  
Direct Oxidation ◽  
Acid Base ◽  
Basic Properties ◽  
Oxidation Of Methane ◽  
Surface Redox ◽  
Effect Of Surface ◽  
Nanoparticle Catalyst ◽  
Base Properties

The surface redox and the weakly basic properties of FePO4 nanoparticles would contribute to the selective CH4 oxidation to HCHO and the suppression of over-oxidation, respectively.

scholarly journals Oxidative coupling of a mixture of bio-alcohols to produce a more sustainable acrolein: An in depth look in the mechanism implying aldehydes co-adsorption and acid/base sites

2020 ◽  
Vol 268 ◽  
pp. 118421 ◽  
Author(s):  
Vincent Folliard ◽  
Georgeta Postole ◽  
Jean-François Devaux ◽  
Jean-Luc Dubois ◽  
Livia Marra ◽  
...  
Keyword(s):  
Oxidative Coupling ◽  
Co Adsorption ◽  
Acid Base

Highly efficient iron phthalocyanine catalyzed oxidative synthesis of imines from alcohols and amines

2013 ◽  
Vol 91 (8) ◽  
pp. 732-737 ◽  
Author(s):  
Manju Bala ◽  
Praveen Kumar Verma ◽  
Neeraj Kumar ◽  
Upendra Sharma ◽  
Bikram Singh
Keyword(s):  
Lewis Acid ◽  
Oxidative Coupling ◽  
Aliphatic Alcohols ◽  
Nucleophilic Attack ◽  
Iron Phthalocyanine ◽  
Acid Base ◽  
Base Interaction ◽  
Highly Efficient ◽  
Activation Of Alcohols ◽  
Acid Base Interaction

An efficient iron phthalocyanine catalyzed method was developed for direct oxidative coupling of alcohols with amines to afford corresponding imines. The present protocol is applicable to various substituted aromatic and aliphatic alcohols and amines. The reaction is believed to proceed via activation of alcohols by iron phthalocyanines through Lewis acid–base interaction to form aldehydes, which by nucleophilic attack of amines are converted into the corresponding imines.

scholarly journals Extracting Problem Linkages to Improve Knowledge Exchange between Science and Technology Domains using an Attention-based Language Model

2020 ◽  
Vol 10 (4) ◽  
pp. 5903-5913 ◽  
Author(s):  
H. Sasaki ◽  
S. Yamamoto ◽  
A. Agchbayar ◽  
Ν. Nkhbayasgalan
Keyword(s):  
Problem Solving ◽  
Knowledge Discovery ◽  
Computational Linguistics ◽  
Explicit Knowledge ◽  
Science And Technology ◽  
Knowledge Exchange ◽  
Language Model ◽  
Technical Problems ◽  
Scientific Papers ◽  
Patent Literature

Science and technology activities can be considered problem-solving activities, and scientific papers and patent publications can be viewed as providing explicit knowledge gained from the problem-solving of academia and industry respectively. However, even in the same field, the approach to the same problem is not consistent between a paper and the patented technology. The creation of information silos in science and technology generates inefficiency in human intellectual production. Therefore, this study examines whether insights from technical problems can be shared with academics to solve scientific problems. We propose a concept to link the problems between these two domains using a linguistic approach for knowledge discovery that connects science and technology. We extracted scientific papers from the Association for Computational Linguistics dataset, and patent literature from the Derwent Innovation platform. From these, pairs of problem defining sentences were identified and extracted using an attention-based language model. For example, we were able to extract examples of issues that do not necessarily arise from scientific papers, such as annotation difficulties in the analysis of social network data, but can be hinted at by patented techniques prior to the paper. These results suggest that scientific problems and industrial solutions can provide mutual insight. This knowledge discovery approach is recommended not only for benefiting corporate activities but also for grasping research trends.

scholarly journals Sustainable Autarky of Food-Energy-Water

2017 ◽  
Vol 14 (2) ◽  
Keyword(s):  
Algal Biomass ◽  
Crop Production ◽  
Treatment Plant ◽  
Batch Process ◽  
Pilot Scale ◽  
Single Step ◽  
Process Time ◽  
Wastewater Management ◽  
Food Energy ◽  
Novel Approach

Meeting the demand for food, energy, and water to sustain the worldwide growth of urban population is a major challenge. Several recent reports have concluded that one approach to overcome this challenge is to recover and recycle resources within the food-energywater (FEW) nexus in urban settings. Urban wastewaters (UWW) are now being recognized as a resource, rich in nutrients and energy, rather than a waste stream that has to be treated and disposed of at the expense of significant energy input and associated environmental emissions. Reclaiming reusable water, nutrients, and energy from UWWs can contribute to autarky of FEW nexus and render the wastewater management process sustainable and potentially profitable. This paper presents a novel approach to treat UWW with the potential for high recovery of energy, nutrients, and water from UWW for use in food crop production. This approach entails cultivation of energy-rich algal biomass in primary-settled UWW followed by extraction of biocrude and nutrients from the algal biomass by hydrothermal liquefaction. A fraction of the recovered nutrients is recycled to boost biomass production while the rest can be stockpiled for use as fertilizer. Results from a pilot scale field study conducted at a local wastewater treatment plant confirmed that the algal system can achieve >80% removal of organic carbon, ammoniacal-nitrogen, and phosphates in UWW, meeting the respective discharge standards in a single step, with a batch process time of three days.

scholarly journals Remediation of bio-refinery wastewater containing organic and inorganic toxic pollutants by adsorption onto chitosan-based magnetic nanosorbent

2019 ◽  
Vol 55 (1) ◽  
pp. 36-51 ◽  
Author(s):  
Abiram Karanam Rathan Kumar ◽  
Kongkona Saikia ◽  
Gerard Neeraj ◽  
Hubert Cabana ◽  
Vaidyanathan Vinoth Kumar
Keyword(s):  
Magnetic Field ◽  
Phenolic Compounds ◽  
External Magnetic Field ◽  
Adsorption Capacity ◽  
Single Step ◽  
Refinery Wastewater ◽  
Acid Base ◽  
Initial Adsorption ◽  
Magnetic Nanosorbent ◽  
Maximum Removal

Abstract The novelty of the current study deals with the application of magnetic nanosorbent, chitosan-coated magnetic nanoparticles (cMNPs), to be utilized for the management of lignocellulosic bio-refinery wastewater (LBW) containing three heavy metals and 26 phenolic compounds. The magnetic property of the adsorbent, confirmed by elemental and vibrating sample magnetometer analysis (saturation magnetization of 26.96 emu/g), allows easy separation of the particles in the presence of an external magnetic field. At pH 6.0, with optimized adsorbent dosage of 2.0 g/L and 90 min contact time, maximum removal of phenol (46.2%), copper (42.2%), chromium (18.7%) and arsenic (2.44%) was observed. The extent of removal of phenolic compounds was in the order: polysubstituted &gt; di-substituted &gt; mono-substituted &gt; cresol &gt; phenol. Overall, the adsorption capacity (qe) of cMNPs varies among the different contaminants in the following manner: copper (1.03 mg/g), chromium (0.20 mg/g), arsenic (0.04 mg/g) and phenol (0.56 mg/g). Post-adsorption, retrieving the cMNPs using an external magnetic field followed by single-step desorption via acid–base treatment is attractive for implementation in industrial settings. Reusability of the adsorbent was studied by recycling the cMNPs for five consecutive rounds of adsorption followed by desorption, at the end of which, cMNPs retained 20% of their initial adsorption capacity.

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