Advances in Catalytic Fundamentals and Catalyst Design

A special issue of Catalysts (ISSN 2073-4344).

Deadline for manuscript submissions: closed (15 February 2020) | Viewed by 3069

Special Issue Editor


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Guest Editor
Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, USA
Interests: computational catalysis; fundamentals of condensed phase heterogeneous catalysis ; catalyst composition and function under actual reaction conditions ; catalysis with metal–organic frameworks ; design of single atom catalysts

Special Issue Information

Dear Colleagues,

Our understanding of catalytic phenomena and how they influence catalytic performance is burgeoning, and this can be contributed to advances in computational and experimental methods. Furthermore, it has advanced the field of catalyst design. In this Special Issue, we welcome original research papers and short reviews on any topic that highlights an advancement in catalyst fundamentals or catalyst design. Examples could include advancements in experimental or computational methods, the identification of a catalytic reaction mechanism, the elucidation of catalytic phenomena that influence catalytic performance, identifying the catalytic active sites, the influence of reaction conditions on active site composition, solvent effects, catalyst deactivation, phenomena that explain how different catalyst materials lead to different catalyst performances, the screening and/or design of catalyst materials or properties, the screening and/or design of catalytic reaction conditions, the screening and/or design of solvents in catalytic reactions, the performance and/or design of novel catalysts, and breakthroughs in catalyst design. We welcome contributions from experimental groups and computational groups as well as experimental/computational collaborations.

Dr. Rachel B. Getman
Guest Editor

Manuscript Submission Information

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Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 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.

Keywords

  • Methods advancement
  • Catalytic mechanisms
  • Structure–function relationships
  • Reaction conditions
  • Catalyst screening and design

Published Papers (1 paper)

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Research

15 pages, 3404 KiB  
Article
Optimized Pore Structures of Hierarchical HY Zeolites for Highly Selective Production of Methyl Methoxyacetate
by Fei Chen, Dongxi Zhang, Lei Shi, Yan Wang and Guangwen Xu
Catalysts 2019, 9(10), 865; https://doi.org/10.3390/catal9100865 - 18 Oct 2019
Cited by 4 | Viewed by 2580
Abstract
Several organic templates were introduced during acid or alkaline treatment to optimize pore structures of hierarchical HY zeolites. The influences of category and concentration of templates on the pore structures and acidity of hierarchical HY zeolites were systemically studied. The N2 adsorption-desorption [...] Read more.
Several organic templates were introduced during acid or alkaline treatment to optimize pore structures of hierarchical HY zeolites. The influences of category and concentration of templates on the pore structures and acidity of hierarchical HY zeolites were systemically studied. The N2 adsorption-desorption showed that the micropore amount of the optimized HY zeolites obviously increased, while both the large mesopore size and amount remained almost unchanged. The XRD and NH3-TPD revealed that the optimized HY zeolites exhibited higher relative crystallinity and medium-strong acid sites amount than those of hierarchical HY zeolites produced without the addition of templates. The optimized HY zeolites were used for the synthesis of methyl methoxyacetate (MMAc) from dimethoxymethane (DMM) carbonylation. In comparison with parent HY, the conversion and the selectivity clearly increased from 36.43% to 96.32% and from 11.06% to 92.35%, respectively. The stability of the optimized zeolite was also conducted under the same conditions. The conversion and the selectivity remained nearly unchanged even through 24 h reaction, showing that the performance was extremely stable. The TG-DTA and GC-MS also indicated that the generation of coke was effectively inhibited. This catalyst treatment method, which is facile and highly efficient, provided a route for producing mesoporous zeolites. Full article
(This article belongs to the Special Issue Advances in Catalytic Fundamentals and Catalyst Design)
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