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Molecular Modeling For The Design Of Novel Performance Chemicals And Materials


Molecular Modeling For The Design Of Novel Performance Chemicals And Materials
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Molecular Modeling For The Design Of Novel Performance Chemicals And Materials


Molecular Modeling For The Design Of Novel Performance Chemicals And Materials
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Author : Beena Rai
language : en
Publisher: CRC Press
Release Date : 2012-03-23

Molecular Modeling For The Design Of Novel Performance Chemicals And Materials written by Beena Rai and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-03-23 with Science categories.


Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation. As a result, MM engineers and practitioners are often seized with the question: "How do I leverage these tools to develop novel materials or chemicals in my industry?" Molecular Modeling for the Design of Novel Performance Chemicals and Materials answers this important question via a simple and practical approach to the MM paradigm. Using case studies, it highlights the importance and usability of MM tools and techniques in various industrial applications. The book presents detailed case studies demonstrating diverse applications such as mineral processing, pharmaceuticals, ceramics, energy storage, electronic materials, paints, coatings, agrochemicals, and personal care. The book is divided into themed chapters covering a diverse range of industrial case studies, from pharmaceuticals to cement. While not going too in-depth into fundamental aspects, the book covers almost all paradigms of MM, and references are provided for further learning. The text includes more than 100 color illustrations of molecular models.



Molecular Modeling For The Design Of Novel Performance Chemicals And Materials


Molecular Modeling For The Design Of Novel Performance Chemicals And Materials
DOWNLOAD
Author : Beena Rai
language : en
Publisher: CRC Press
Release Date : 2012-03-23

Molecular Modeling For The Design Of Novel Performance Chemicals And Materials written by Beena Rai and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-03-23 with Science categories.


Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool for direct innovation. As a result, MM engineers and



Advances In The Chemistry And Physics Of Materials Overview Of Selected Topics


Advances In The Chemistry And Physics Of Materials Overview Of Selected Topics
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Author : Subi J George
language : en
Publisher: World Scientific
Release Date : 2019-10-17

Advances In The Chemistry And Physics Of Materials Overview Of Selected Topics written by Subi J George and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-10-17 with Technology & Engineering categories.


Advances in the Chemistry and Physics of Materials is a compilation of topics on the recent developments in the areas of Materials Science.Materials Science has been a subject of major interest which has garnered significant attention over the years. Chemists and physicists have contributed extensively to this frontier research area and their synergistic efforts have led to the discovery of many new, exciting materials involving novel functions. In the light of the growing importance of the field of Materials Science, and owing to the fact that it is a subject that holds a lot of promise, internationally renowned Materials Chemist Prof. C.N.R Rao along with his colleagues at the School of Advanced Materials, at JNCASR, have compiled the contents of this book to highlight and showcase the emerging trends in materials science.It touches upon topics spanning over nanomaterials and various other classes of energy materials for harvesting, storage and conversion. The relatively new and exciting range of materials such as supramolecular, soft and biomaterials have been introduced and elucidated, in the book. Special emphasis has been laid on the synthesis, phenomena and characterization of these kinds of materials. Theoretical and Computational Chemistry has played an important role in the growth of Materials Science as a discipline, and the book covers a special topical session on the theoretical efforts in materials research.The book, packed with theory and practical aspects in a crisp and concise manner, aims to take the reader on an intense scientific expedition. The compilation provides an insight into the chemistry and physics of materials and presents up-to-date status reports which would, undoubtedly, be useful to practitioners, teachers and students.



Flotation Chemistry Of Tungsten Minerals And Its Application


Flotation Chemistry Of Tungsten Minerals And Its Application
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Author : Wei Sun
language : en
Publisher: Springer Nature
Release Date : 2025-07-15

Flotation Chemistry Of Tungsten Minerals And Its Application written by Wei Sun and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-07-15 with Science categories.


This book provides an in-depth examination of the geological and metallogenic mechanisms, crystal chemistry, and solution chemistry of tungsten ore. The novel findings presented herein establish a robust foundation for the design and development of specialized flotation reagents and innovative flotation processes tailored specifically for tungsten ore. Moreover, this work constructs a comprehensive theoretical framework of tungsten ore flotation chemistry, significantly advancing new technologies in this domain. The content of this book will be of considerable interest to university faculty, researchers, R&D engineers, and graduate students in the fields of mineral processing and extractive metallurgy. It offers valuable insights into cutting-edge reagents and technologies that enhance energy efficiency and promote environmental sustainability.



Low Carbon Stabilization And Solidification Of Hazardous Wastes


Low Carbon Stabilization And Solidification Of Hazardous Wastes
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Author : Daniel C.W. Tsang
language : en
Publisher: Elsevier
Release Date : 2021-09-24

Low Carbon Stabilization And Solidification Of Hazardous Wastes written by Daniel C.W. Tsang and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-24 with Science categories.


Low Carbon Stabilization and Solidification of Hazardous Wastes details sustainable and low-carbon treatments for addressing environmental pollution problems, critically reviewing low-carbon stabilization/solidification technologies. This book presents the latest state-of-the-art knowledge of low-carbon stabilization/solidification technologies to provide cost-effective sustainable solutions for real-life environmental problems related to hazardous wastes including contaminated sediments. As stabilization/solidification is one of the most widely used waste remediation methods for its versatility, fast implementation and final treatment of hazardous waste treatment, it is imperative that those working in this field follow the most recent developments. Low Carbon Stabilization and Solidification of Hazardous Wastes is a necessary read for academics, postgraduates, researchers and engineers in the field of environmental science and engineering, waste management, and soil science, who need to keep up to date with the most recent advances in low-carbon technologies. This audience will develop a better understanding of these low-carbon mechanisms and advanced characterization technologies, fostering the future development of low-carbon technologies and the actualization of green and sustainable remediation. - Focuses on stabilization/solidification for environmental remediation, as one of the most widely used environmental remediation technologies in field-scale applications - Details the most advanced and up-to-date low-carbon sustainable technologies necessary to guide future research and sustainable development - Provides comprehensive coverage of low-carbon solutions for treating a variety of hazardous wastes as well as contaminated soil and sediment



Recent Developments In Analytical Techniques For Corrosion Research


Recent Developments In Analytical Techniques For Corrosion Research
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Author : Ihsan ulhaq Toor
language : en
Publisher: Springer Nature
Release Date : 2022-01-04

Recent Developments In Analytical Techniques For Corrosion Research written by Ihsan ulhaq Toor and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-01-04 with Technology & Engineering categories.


This book covers a wide range of advanced analytical tools, from electrochemical to in-situ/ex-situ material characterization techniques, as well as the modeling of corrosion systems to foster understanding and prediction. When used properly, these tools can enrich our understanding of material performance (metallic materials, coatings, inhibitors) in various environments/contexts (aqueous corrosion, high-temperature corrosion). The book encourages researchers to develop new corrosion-resistant materials and supports them in devising suitable asset integrity strategies. Offering a valuable resource for researchers, industry professionals, and graduate students alike, the book shows them how to apply these valuable analytical tools in their work.



Advances In Computer Simulation Studies On Crystal Growth


Advances In Computer Simulation Studies On Crystal Growth
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Author : Hiroki Nada
language : en
Publisher: MDPI
Release Date : 2018-11-16

Advances In Computer Simulation Studies On Crystal Growth written by Hiroki Nada and has been published by MDPI this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-11-16 with Science categories.


This book is a printed edition of the Special Issue "Advances in Computer Simulation Studies on Crystal Growth" that was published in Crystals



Multiscale Modeling For Process Safety Applications


Multiscale Modeling For Process Safety Applications
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Author : Arnab Chakrabarty
language : en
Publisher: Butterworth-Heinemann
Release Date : 2015-11-29

Multiscale Modeling For Process Safety Applications written by Arnab Chakrabarty and has been published by Butterworth-Heinemann this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-29 with Technology & Engineering categories.


Multiscale Modeling for Process Safety Applications is a new reference demonstrating the implementation of multiscale modeling techniques on process safety applications. It is a valuable resource for readers interested in theoretical simulations and/or computer simulations of hazardous scenarios. As multi-scale modeling is a computational technique for solving problems involving multiple scales, such as how a flammable vapor cloud might behave if ignited, this book provides information on the fundamental topics of toxic, fire, and air explosion modeling, as well as modeling jet and pool fires using computational fluid dynamics. The book goes on to cover nanomaterial toxicity, QPSR analysis on relation of chemical structure to flash point, molecular structure and burning velocity, first principle studies of reactive chemicals, water and air reactive chemicals, and dust explosions. Chemical and process safety professionals, as well as faculty and graduate researchers, will benefit from the detailed coverage provided in this book. - Provides the only comprehensive source addressing the use of multiscale modeling in the context of process safety - Bridges multiscale modeling with process safety, enabling the reader to understand mapping between problem detail and effective usage of resources - Presents an overall picture of addressing safety problems in all levels of modeling and the latest approaches to each in the field - Features worked out examples, case studies, and a question bank to aid understanding and involvement for the reader



Computational Modelling Of Nanomaterials


Computational Modelling Of Nanomaterials
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Author : Panagiotis Grammatikopoulos
language : en
Publisher: Elsevier
Release Date : 2020-09-30

Computational Modelling Of Nanomaterials written by Panagiotis Grammatikopoulos and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-09-30 with Technology & Engineering categories.


Due to their small size and their dependence on very fast phenomena, nanomaterials are ideal systems for computational modelling. This book provides an overview of various nanosystems classified by their dimensions: 0D (nanoparticles, QDs, etc.), 1D (nanowires, nanotubes), 2D (thin films, graphene, etc.), 3D (nanostructured bulk materials, devices). Fractal dimensions, such as nanoparticle agglomerates, percolating films and combinations of materials of different dimensionalities are also covered (e.g. epitaxial decoration of nanowires by nanoparticles, i.e. 0D+1D nanomaterials). For each class, the focus will be on growth, structure, and physical/chemical properties. The book presents a broad range of techniques, including density functional theory, molecular dynamics, non-equilibrium molecular dynamics, finite element modelling (FEM), numerical modelling and meso-scale modelling. The focus is on each method's relevance and suitability for the study of materials and phenomena in the nanoscale. This book is an important resource for understanding the mechanisms behind basic properties of nanomaterials, and the major techniques for computational modelling of nanomaterials. - Explores the major modelling techniques used for different classes of nanomaterial - Assesses the best modelling technique to use for each different type of nanomaterials - Discusses the challenges of using certain modelling techniques with specific nanomaterials



Natural Gas Processing From Midstream To Downstream


Natural Gas Processing From Midstream To Downstream
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Author : Nimir O. Elbashir
language : en
Publisher: John Wiley & Sons
Release Date : 2019-02-04

Natural Gas Processing From Midstream To Downstream written by Nimir O. Elbashir 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 2019-02-04 with Science categories.


A comprehensive review of the current status and challenges for natural gas and shale gas production, treatment and monetization technologies Natural Gas Processing from Midstream to Downstream presents an international perspective on the production and monetization of shale gas and natural gas. The authors review techno-economic assessments of the midstream and downstream natural gas processing technologies. Comprehensive in scope, the text offers insight into the current status and the challenges facing the advancement of the midstream natural gas treatments. Treatments covered include gas sweeting processes, sulfur recovery units, gas dehydration and natural gas pipeline transportation. The authors highlight the downstream processes including physical treatment and chemical conversion of both direct and indirect conversion. The book also contains an important overview of natural gas monetization processes and the potential for shale gas to play a role in the future of the energy market, specifically for the production of ultra-clean fuels and value-added chemicals. This vital resource: Provides fundamental chemical engineering aspects of natural gas technologies Covers topics related to upstream, midstream and downstream natural gas treatment and processing Contains well-integrated coverage of several technologies and processes for treatment and production of natural gas Highlights the economic factors and risks facing the monetization technologies Discusses supply chain, environmental and safety issues associated with the emerging shale gas industry Identifies future trends in educational and research opportunities, directions and emerging opportunities in natural gas monetization Includes contributions from leading researchers in academia and industry Written for Industrial scientists, academic researchers and government agencies working on developing and sustaining state-of-the-art technologies in gas and fuels production and processing, Natural Gas Processing from Midstream to Downstream provides a broad overview of the current status and challenges for natural gas production, treatment and monetization technologies.