Ai Guided Design And Property Prediction For Zeolites And Nanoporous Materials

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Ai Guided Design And Property Prediction For Zeolites And Nanoporous Materials

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Author : German Sastre
language : en
Publisher: John Wiley & Sons
Release Date : 2023-01-30

Ai Guided Design And Property Prediction For Zeolites And Nanoporous Materials written by German Sastre and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-01-30 with Science categories.

AI-Guided Design and Property Prediction for Zeolites and Nanoporous Materials A cohesive and insightful compilation of resources explaining the latest discoveries and methods in the field of nanoporous materials In Artificial Intelligence for Zeolites and Nanoporous Materials: Design, Synthesis and Properties Prediction a team of distinguished researchers delivers a robust compilation of the latest knowledge and most recent developments in computational chemistry, synthetic chemistry, and artificial intelligence as it applies to zeolites, porous molecular materials, covalent organic frameworks and metal-organic frameworks. The book presents a common language that unifies these fields of research and advances the discovery of new nanoporous materials. The editors have included resources that describe strategies to synthesize new nanoporous materials, construct databases of materials, structure directing agents, and synthesis conditions, and explain computational methods to generate new materials. They also offer material that discusses AI and machine learning algorithms, as well as other, similar approaches to the field. Readers will also find a comprehensive approach to artificial intelligence applied to and written in the language of materials chemistry, guiding the reader through the fundamental questions on how far computer algorithms and numerical representations can drive our search of new nanoporous materials for specific applications. Designed for academic researchers and industry professionals with an interest in synthetic nanoporous materials chemistry, Artificial Intelligence for Zeolites and Nanoporous Materials: Design, Synthesis and Properties Prediction will also earn a place in the libraries of professionals working in large energy, chemical, and biochemical companies with responsibilities related to the design of new nanoporous materials.

Digital Transformation

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Author : Abhishek Behl
language : en
Publisher: Taylor & Francis
Release Date : 2025-05-23

Digital Transformation written by Abhishek Behl and has been published by Taylor & Francis this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-23 with Business & Economics categories.

Digitization, with the help of artificial intelligence, machine learning, social media, and cloud adoption, has significantly transformed industries and helped companies accelerate, grow, and have a competitive edge. This book discusses how digital transformation can help organizations achieve growth and explores the challenges of using emerging technologies. Digital disruption has a significant effect on how businesses operate. Organizations must follow a strategic approach while on the path to digital transformation as their technology and operational decisions must be aligned. This volume provides a roadmap for businesses to adopt digital solutions and systems in all aspects of a company’s functioning. With case-based examples, the book demonstrates how organizations globally use digital technologies to enhance their business operations; examines strategies that work and those that do not; highlights lessons organizations can learn from the success and failures of digitization; and looks at the perils of using such technology, which can often also endanger the organization's functioning and raise consumer privacy concerns. Part of the Advances in Emerging Markets and Business Operations series, this volume includes examples and best practices from companies that provide a framework for designing a digital strategy. It will be useful for students and researchers of business studies, management studies, human resources, organization studies, IT management, and information and communication. It will also be of interest to organizations and managers.

Artificial Intelligence Driven Materials Design

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Author : Piyush Tagade
language : en
Publisher: Springer
Release Date : 2024-10-01

Artificial Intelligence Driven Materials Design written by Piyush Tagade and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-01 with Science categories.

This book presents the application of machine learning and deep learning to Materials Design. Traditional materials design relies on a trial and error based iterative approach towards attaining target material properties often interspersed with accidental discoveries. This approach is very time consuming as both processing/fabrication, characterization of new compositions/structures are quite laborious. The field of machine learning and deep learning can greatly benefit expediting this approach by narrowing down the search space and reducing the number of compounds/structures that are explored in the lab. This book covers the fundamentals of how one goes about applying Artificial Intelligence to materials design followed by specific examples. The book contains 4 sections. In the first section, fundamentals of AI, materials structure representation/digitization and theoretical framework are discussed. In the second section, materials optimization using evolutionary algorithms is discussed. In the third section, application of AI for forward prediction, i.e., given a material structure, how to predict properties, is considered. In the fourth section, we cover inverse prediction or inverse materials design, that is, predicting materials/structures with target properties. The inverse design of materials is an emerging field of materials design and the techniques we present are very novel. We provide examples from both organic and inorganic materials space with diverse fields of applications. The book includes sample codes for these example problems to help readers gain hands-on experience. ​

Insights Into The Chemistry Of Organic Structure Directing Agents In The Synthesis Of Zeolitic Materials

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Author : Luis Gómez-Hortigüela
language : en
Publisher: Springer
Release Date : 2018-03-31

Insights Into The Chemistry Of Organic Structure Directing Agents In The Synthesis Of Zeolitic Materials written by Luis Gómez-Hortigüela and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-03-31 with Science categories.

This edited volume focuses on the host-guest chemistry of organic molecules and inorganic systems during synthesis (structure-direction). Organic molecules have been used for many years in the synthesis of zeolitic nanoporous frameworks. The addition of these organic molecules to the zeolite synthesis mixtures provokes a particular ordering of the inorganic units around them that directs the crystallization pathway towards a particular framework type; hence they are called structure-directing agents. Their use has allowed the discovery of an extremely large number of new zeolite frameworks and compositions. This volume covers the main aspects of the use of organic molecules as structure-directing agents for the synthesis of zeolites, including first an introduction of the main concepts, then two chapters covering state-of-the-art techniques currently used to understand the structure-directing phenomenon (location of molecules by XRD and molecular modeling techniques). The most recent trends in the types of organic molecules used as structure-directing agents are also presented, including the use of metal-complexes, the use of non-ammonium-based molecules (mainly phosphorus-based compounds) and the role of supramolecular chemistry in designing new large organic structure-directing agents produced by self-aggregation. In addition the volume explores the latest research attempting to transfer the asymmetric nature of organic chiral molecules used as structure-directing agents to the zeolite lattice to produce chiral enantioselective frameworks, one of the biggest challenges today in materials chemistry. This volume has interdisciplinary appeal and will engage scholars from the zeolite community with a general interest in microporous materials, which involves not only zeolite scientists, but also researchers working on metal-organic framework materials. The concepts covered will also be of interest for researchers working on the application of materials after encapsulation of molecules of interest in post-synthetic treatments. Further the work explores the main aspects of host-guest chemistry in hybrid organo-inorganic templated materials, which covers all types of materials where organic molecules are used as templates and are confined within framework-structured inorganic materials (intercalation compounds). Therefore the volume is also relevant to the wider materials chemistry community.

Characterization And Design Of Zeolite Catalysts

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Author : Miki Niwa
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-08-17

Characterization And Design Of Zeolite Catalysts written by Miki Niwa and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-08-17 with Science categories.

Catalysis and catalyst is a key technology to solve the problems in energy and environment issues to sustain our human society. We believe that comprehensive understanding of the catalysis and catalyst provides us a chance to develop a new catalyst and contributes greatly to our society. However, the ?eld of heterogeneous catalyst is dif?cultto study andstill stays behindmoredeveloped?elds ofchemistry such as organic and physical chemistries. This is a dilemma to the chemists who study the catalysis and catalyst. While we can accomplish the progress in the - dustrial application, the scienti?c understandingis not complete yet. A gap between the useful application and incomplete scienti?c understanding, however, becomes smaller and smaller in recent years. Because zeolites are ?ne crystals, and the structure is clearly known, the study on the catalysis using the zeolites is easier than those encountered in other catalysts such as metals and metal oxides. Very fortunately, zeolites provide us the strong acidity with the ?ne distribution which enables various useful catalytic reactions. When some metals and cations are loaded in close to the acid sites, these loadede- ments show extraordinarycharacters, and many catalytic reactions proceed thereon.

Inclusion Chemistry With Zeolites Nanoscale Materials By Design

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Author : Norman Herron
language : en
Publisher: Springer Science & Business Media
Release Date : 1995

Inclusion Chemistry With Zeolites Nanoscale Materials By Design written by Norman Herron and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Medical categories.

Zeolites, with their crystalline microporous structure, are cordial hosts to a wide variety of guests. Traditional absorption techniques, as well as X-ray diffraction and spectroscopic techniques, have contributed to a better understanding of the nature of the host materials' characteristic cavities, cages and channels. The same techniques, coupled with powerful computational methods, have given new insights into the interactions of guest molecules with their hosts. In turn, this has led to new developments in the direction of structure during zeolite synthesis as well as potentially new applications of guest-host materials. The chapters in this text describe modern research in this field, detailing some of the studies on structure direction in synthesis, characterization techniques, computational aspects, co-ordination and organometallic chemistry, photochemistry, and electronic and optical materials.

Zeolites And Related Materials Trends Targets And Challenges Set

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Author : Antoine Gedeon
language : en
Publisher: Elsevier
Release Date : 2008-08-19

Zeolites And Related Materials Trends Targets And Challenges Set written by Antoine Gedeon and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-08-19 with Science categories.

The present book "Zeolites and Related Materials: Trends, Targets and Challenges" reports the communications that have been presented at the 4th International FEZA (Federation of European Zeolite Associations) Conference in Paris, September 3-6, 2008. It gives an excellent overview of the present state of the art of ordered nanoporous solids including zeolites as well as synthetic layered materials (clays), nanosized molecular sieves, ordered mesoporous solids, metal-organic-framework compounds (MOFs), carbons, etc. with emphasis on the synthesis, comprehensive characterization and advanced applications. The significant research activities in this domain are due to the outstanding properties of those nanoporous materials that concentrate the collaborative efforts of researchers from material science, chemistry, physical chemistry and physics.The understanding and development of the unique properties of porous materials relies on a unique blend of multidisciplinary knowledge covering material science, with the implication of organic and colloid chemistry, to prepare micro- and mesoporous materials; surface and adsorption sciences sustained by theory and modelling to understand the peculiar behaviour of molecules in confined systems; special branches of catalysis, physics, chemical engineering and life science to design novel applications. - This book summarizes the developments in the area of nanoporous solids at the dawn of the 21st century, useful for both students/young researchers entering the field of nanoporous materials, as well as for senior scientists - Also summarizes the new family of porous compounds, e.g. MOF's and ordered porous carbon - The present state-of-the-art and prospects of nanoporous solids for advanced applications is discussed

Microporous Zeolites And Related Nanoporous Materials Synthesis Characterization And Applications In Catalysis

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Author : Narendra Kumar
language : en
Publisher:
Release Date : 2022

Microporous Zeolites And Related Nanoporous Materials Synthesis Characterization And Applications In Catalysis written by Narendra Kumar and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022 with categories.

Microporous zeolites and nanoporous materials are important from an academic and industrial research perspective. These inorganic materials have found application as catalysts in several industrial processes in oil refinery, petro-chemical reactions, fine chemicals, speciality, drug discovery and pharmaceutical synthesis, exhaust emission control for stationary and mobile engines and industrial wastewater treatment. The reasons for their versatile applications in several industrial processes are their unique properties of microporous zeolites and nanoporous materials such as uniform pores, channel systems, shape selectivity, resistance to coke formation, thermal and hydrothermal stability. Furthermore, the possibility to tune the amount and strength of Brønsted and Lewis acid sites and their crystal size, as well as the possibility of modification with transition and noble metals, are key to their success as efficient, high selectivity and stable catalysts.

Microporous Zeolites And Related Nanoporous Materials

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Author : Narendra Kumar
language : en
Publisher: Mdpi AG
Release Date : 2022-03-24

Microporous Zeolites And Related Nanoporous Materials written by Narendra Kumar and has been published by Mdpi AG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-03-24 with Technology & Engineering categories.

Microporous zeolites and nanoporous materials are important from an academic and industrial research perspective. These inorganic materials have found application as catalysts in several industrial processes in oil refinery, petro-chemical reactions, fine chemicals, speciality, drug discovery and pharmaceutical synthesis, exhaust emission control for stationary and mobile engines and industrial wastewater treatment. The reasons for their versatile applications in several industrial processes are their unique properties of microporous zeolites and nanoporous materials such as uniform pores, channel systems, shape selectivity, resistance to coke formation, thermal and hydrothermal stability. Furthermore, the possibility to tune the amount and strength of Brønsted and Lewis acid sites and their crystal size, as well as the possibility of modification with transition and noble metals, are key to their success as efficient, high selectivity and stable catalysts.

Advances In Nanoporous Materials

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Author :
language : en
Publisher:
Release Date :

Advances In Nanoporous Materials written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on with categories.