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Special Issue "Advanced Strategies for Catalyst Design"
A special issue of Catalysts (ISSN 2073-4344).
Deadline for manuscript submissions: 31 January 2020.
Human activities and our planet certainly benefit from the invention of novel better catalysts, which can be employed, for example, to reduce the waste from chemical manufacturing or can boost renewable energy technologies such as fuel cells and artificial photosynthesis. Efficient catalysts are expected to be stable, active, and selective. In the past, the development of new catalysts has mainly depended on trial and error, a laborious and time-consuming approach. Nowadays, the mechanistic details of numerous important chemical reactions have been unraveled, and this information is essential to intelligently design novel catalysts. Thus, all the efforts devoted to a deep understanding of an intricate catalytic mechanism and to the preparation of novel catalysts relying on it are priceless.
Chemists must set up adequate strategies, merging experimental and computational knowledge and abilities, to tune the performance of molecules that might be successful in the lab. For this Special Issue, researchers are invited to submit original research papers and review articles related to advanced strategies for catalyst design. Topics of interest include but are not limited to the following:
The computer-aided design of catalysts;
Weak interactions in catalysis;
Big data and catalysis;
Integrated experimental and theoretical approaches to catalyst design.
Prof. Dr. Laura Orian
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Catalysts is an international peer-reviewed open access monthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- catalyst design
- computational methods
- neural networks
- bioinspired catalysts
- enzymatic mechanisms
- reaction mechanism
The below list represents only planned manuscripts. Some of these manuscripts have not been received by the Editorial Office yet. Papers submitted to MDPI journals are subject to peer-review.
Benchmarking acid and basic catalysis for a more sustainable production of biofuel from Waste Cooking Oil
Abstract: The production of biodiesel at the industrial level is mainly based on the use of basic catalysts. Otherwise, acid catalysis allowed an increase in conversion and weight yield as it did not affect the percentage of free fatty acids present in the starting sample. This work has been useful in assessing the possible catalytic pathways in the production of FAMEs, starting from different waste oil mixtures, exploring particularly homogeneous and heterogenous acid catalysis. By evaluating the parameters, type of catalyst, temperature, time and MeOH/oil molar ratio, it was possible to optimize the conditions leading to higher conversion yields and weights.