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Advanced Strategies for Catalyst Design

Advanced Strategies for Catalyst Design PDF Author: Laura Orian
Publisher: MDPI
ISBN: 3036505563
Category : Science
Languages : en
Pages : 202

Book Description
The invention of novel and improved catalysts has a valuable impact on human activities and on our planet. 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 useful for intelligently design novel catalysts. Thus, all the efforts devoted to facilitating a deep understanding of intricate catalytic mechanisms and to the preparation of novel catalysts relying on this are priceless. Chemists must set up adequate strategies, merging experimental and computational knowledge and abilities toward tuning the performance of molecules that might be successful in the lab. The contributions in this book collection are some examples of this modern chemical design.

Advanced Strategies for Catalyst Design

Advanced Strategies for Catalyst Design PDF Author: Laura Orian
Publisher: MDPI
ISBN: 3036505563
Category : Science
Languages : en
Pages : 202

Book Description
The invention of novel and improved catalysts has a valuable impact on human activities and on our planet. 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 useful for intelligently design novel catalysts. Thus, all the efforts devoted to facilitating a deep understanding of intricate catalytic mechanisms and to the preparation of novel catalysts relying on this are priceless. Chemists must set up adequate strategies, merging experimental and computational knowledge and abilities toward tuning the performance of molecules that might be successful in the lab. The contributions in this book collection are some examples of this modern chemical design.

Advanced Functional Solid Catalysts for Biomass Valorization

Advanced Functional Solid Catalysts for Biomass Valorization PDF Author: Chaudhery Mustansar Hussain
Publisher: Elsevier
ISBN: 012820236X
Category : Technology & Engineering
Languages : en
Pages : 274

Book Description
Advanced Functional Solid Catalysts for Biomass Valorization presents the basic concepts in catalysis (homogeneous, heterogeneous, and enzymatic) and the properties of various kinds of heterogeneous solid catalysts, including their structure, porosity, particle size, BET surface area, acid-base, and redox properties. Useful information about biorefineries, types of biomass feedstocks, their structures and properties as well as about several potential catalytic routes for biomass upgrading to useful fuels and chemicals is provided in this book. Importantly, this book covers the most recent developments toward functionalization of various solid catalysts, optimization of catalysts' properties, developing cascade catalytic strategies, exploring reaction kinetics/mechanisms, and evaluating catalysts' stability/reusability during biomass upgrading. Current challenges and opportunities for the future biorefineries as well as for the design of advanced functional solid catalysts are critically discussed. Describes catalysis as a promising technology for the development of eco-friendly and economically viable strategies for several important energy and environmental applications. Covers heterogeneous solid catalysts because of their versatile benefits in terms of catalysts' synthesis, production cost, stability, and reusability as compared to homogeneous liquid catalysts. Provides promising strategies for the design of new catalytic materials, such as carbon materials, metal-organic frameworks, zeolites, and mesoporous silicas. Describes functional solid catalysts for developing one-pot cascade processes for efficient biomass valorization and other vital chemical transformations.

Heterogeneous Catalysts

Heterogeneous Catalysts PDF Author: Wey Yang Teoh
Publisher: John Wiley & Sons
ISBN: 352781356X
Category : Technology & Engineering
Languages : en
Pages : 768

Book Description
Presents state-of-the-art knowledge of heterogeneous catalysts including new applications in energy and environmental fields This book focuses on emerging techniques in heterogeneous catalysis, from new methodology for catalysts design and synthesis, surface studies and operando spectroscopies, ab initio techniques, to critical catalytic systems as relevant to energy and the environment. It provides the vision of addressing the foreseeable knowledge gap unfilled by classical knowledge in the field. Heterogeneous Catalysts: Advanced Design, Characterization and Applications begins with an overview on the evolution in catalysts synthesis and introduces readers to facets engineering on catalysts; electrochemical synthesis of nanostructured catalytic thin films; and bandgap engineering of semiconductor photocatalysts. Next, it examines how we are gaining a more precise understanding of catalytic events and materials under working conditions. It covers bridging pressure gap in surface catalytic studies; tomography in catalysts design; and resolving catalyst performance at nanoscale via fluorescence microscopy. Quantum approaches to predicting molecular reactions on catalytic surfaces follows that, along with chapters on Density Functional Theory in heterogeneous catalysis; first principles simulation of electrified interfaces in electrochemistry; and high-throughput computational design of novel catalytic materials. The book also discusses embracing the energy and environmental challenges of the 21st century through heterogeneous catalysis and much more. Presents recent developments in heterogeneous catalysis with emphasis on new fundamentals and emerging techniques Offers a comprehensive look at the important aspects of heterogeneous catalysis Provides an applications-oriented, bottoms-up approach to a high-interest subject that plays a vital role in industry and is widely applied in areas related to energy and environment Heterogeneous Catalysts: Advanced Design, Characterization and Applications is an important book for catalytic chemists, materials scientists, surface chemists, physical chemists, inorganic chemists, chemical engineers, and other professionals working in the chemical industry.

Computational Catalysis

Computational Catalysis PDF Author: Aravind Asthagiri
Publisher: Royal Society of Chemistry
ISBN: 1849734518
Category : Science
Languages : en
Pages : 277

Book Description
This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.

Computational Strategy in Catalyst Design

Computational Strategy in Catalyst Design PDF Author: Robert Jeffrey Nielsen
Publisher:
ISBN:
Category : Electronic dissertations
Languages : en
Pages : 218

Book Description


Heterogeneous Catalyst Design and Synthesis with Controlled and Well-defined Strategies

Heterogeneous Catalyst Design and Synthesis with Controlled and Well-defined Strategies PDF Author: Lifeng Zhang
Publisher:
ISBN:
Category :
Languages : en
Pages : 0

Book Description
Design and synthesis of heterogeneous catalyst at precisely atomic level is of great importance in chemical industry. Current state-of-art synthesis techniques generally lead to a wide distribution of particle sizes and composition, which results in a mixture of active sites over the surface and thus poor catalytic performance. Atomic layer deposition(ALD) has gained attentions in application of catalysis due to its self-limiting nature. In this work, we will apply this advanced synthesis technology to a series of industrially important reactions, such as synthesis gas conversion, hydrocarbon cracking, biomass conversion, and ethane aromatization. Chapter 3 and Chapter 4 focus on generating high surface area catalytic support via ALD for other transition metals, including Rh, Ru, Co, Ni, and Cu for synthesis gas conversion. The conformity coating of ALD enables us to produce unconventional high surface area support that cannot be achieved using other synthesis techniques. Chapter 5 introduces how ALD is used to produce model heterogeneous acid catalysts with tunable Bronsted to Lewis acid sites ratio. The model materials are useful in both revealing the structure of commercial SiAl materials and elucidating reaction mechanism of biomass conversion reactions. Chapter 6 demonstrates the advantage of ALD to directly deposit catalytic active species inside various confined spaces, including meso-porous and micro-porous materials. This is not achievable via conventional synthesis method. These sites will fully benefit from the non-covalent regent-host interactions and display superior catalytic performance than those sites at the outer surface of the support with no confinement effect. Overall, atomic layer deposition is applied in multiple ways to produce high performance heterogeneous catalysts in this work.

Advances In Catalyst Design, Vol 2: Proceedings Of The 2nd Workshop On Catalyst Design

Advances In Catalyst Design, Vol 2: Proceedings Of The 2nd Workshop On Catalyst Design PDF Author: Mauro Graziani
Publisher: World Scientific
ISBN: 9814552755
Category :
Languages : en
Pages : 413

Book Description
The workshop organized by the international centre for science and technology provided an occasion for researchers active both in homogeneous and heterogeneous catalysis to meet and look for common interpretations and a common language.

Advanced Functional Solid Catalysts for Biomass Valorization

Advanced Functional Solid Catalysts for Biomass Valorization PDF Author: Chaudhery Mustansar Hussain
Publisher: Elsevier
ISBN: 0128226730
Category : Technology & Engineering
Languages : en
Pages : 276

Book Description
Advanced Functional Solid Catalysts for Biomass Valorization presents the basic concepts in catalysis (homogeneous, heterogeneous, and enzymatic) and the properties of various kinds of heterogeneous solid catalysts, including their structure, porosity, particle size, BET surface area, acid-base, and redox properties. Useful information about biorefineries, types of biomass feedstocks, their structures and properties as well as about several potential catalytic routes for biomass upgrading to useful fuels and chemicals is provided in this book. Importantly, this book covers the most recent developments toward functionalization of various solid catalysts, optimization of catalysts’ properties, developing cascade catalytic strategies, exploring reaction kinetics/mechanisms, and evaluating catalysts’ stability/reusability during biomass upgrading. Current challenges and opportunities for the future biorefineries as well as for the design of advanced functional solid catalysts are critically discussed. Describes catalysis as a promising technology for the development of eco-friendly and economically viable strategies for several important energy and environmental applications. Covers heterogeneous solid catalysts because of their versatile benefits in terms of catalysts’ synthesis, production cost, stability, and reusability as compared to homogeneous liquid catalysts. Provides promising strategies for the design of new catalytic materials, such as carbon materials, metal–organic frameworks, zeolites, and mesoporous silicas. Describes functional solid catalysts for developing one-pot cascade processes for efficient biomass valorization and other vital chemical transformations.

Catalyst Design

Catalyst Design PDF Author: L. Louis Hegedus
Publisher: Wiley-Interscience
ISBN:
Category : Science
Languages : en
Pages : 312

Book Description
An authoritative volume on the design and preparation of catalysts. The book covers surface morphology, organometallics, supports, kinetics, mathematical modelling and hydrometallation catalysts.

Computer-Aided Design of Catalysts

Computer-Aided Design of Catalysts PDF Author: Robert Becker
Publisher: CRC Press
ISBN: 1000104990
Category : Science
Languages : en
Pages : 638

Book Description
This volume provides an update on recent developments in computer-aided design and modeling of catalysts for a variety of important industrial applications. Key hurdles in catalyst design are different for each application: the modeling frontiers for methane partial oxidation, automotive catalysis,