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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 ...
Machine Learning in Chemistry
Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. Wit...
Solvent Engineering
This book aims to present the concept of Solvent Engineering within a broad scope, ranging from mixtures of solvents to achieve the desired solvation properties, to stimuli-responsive solvents. It covers diverse aspects such as thermodynamics and transfer phenomena associated with solvent engineering, as well as applications found in recent literature, spanning materials across science, biochemistry, chemistry, and separation and purification processes, among others. Solvent engineering is proposed as an innovative strategy to address environmental concerns related to the use of volatile and toxic solvents. This book highlights efforts to develop engineered solvents that offer more environmentally acceptable alternatives as against those currently in use.
Crystal Growth and Nucleation
This book discusses the contemporary techniques and the latest applications in the field of nucleation, growth, inhibition and dissolution of solids. It covers techniques, including diffraction, small angle scattering, probe microscopy, optical microscopy, crystallization techniques and both atomistic and meso-scale modelling methods; and applications, which consider inorganic materials, micro-porous and meso-porous materials, molecular crystals, biomaterials, minerals, semi-conductors and pharmaceuticals. It is a key point of reference for researchers working in related fields and offers a comprehensive guide to research and opinion in this area. Faraday Discussions document a long-established series of Faraday Discussion meetings which provide a unique international forum for the exchange of views and newly acquired results in developing areas of physical chemistry, biophysical chemistry and chemical physics. The papers presented are published in the Faraday Discussion volume together with a record of the discussion contributions made at the meeting. Faraday Discussions therefore provide an important record of current international knowledge and views in the field concerned.
Computer Simulation of Porous Materials
Computer Simulation of Porous Materials covers the key approaches in the modelling of porous materials, with a focus on how these can be used for structure prediction and to either rationalise or predict a range of properties including sorption, diffusion, mechanical, spectroscopic and catalytic. The book covers the full breadth of (micro)porous materials, from inorganic (zeolites), to organic including porous polymers and porous molecular materials, and hybrid materials (metal-organic frameworks). Through chapters focusing on techniques for specific types of applications and properties, the book outlines the challenges and opportunities in applying approaches and methods to different classe...
Calixarenes and Beyond
Contributions featuring the chemistry and applications of a family of macrocyclic compounds collectively known as 'calixarenes' are presented in this edited volume. The arsenal of structures based on calixarenes provides tools which are effective in numerous areas of supramolecular chemistry. The Editors have compiled a timely volume which contains up to date, high calibre contributions from a large number of international authors. A broad perspective on the progress and future of calixarene chemistry is presented. Aimed at students and researchers active in Supramolecular Chemistry.
Zeolites For Cleaner Technologies
This book, written and edited by leading authorities from academia and industrial groups, covers both preventive- and curative-zeolite-based technologies in the field of chemical processing.The opening chapter presents the state of the art in zeolite science. The two subsequent chapters summarize the chemistries involved in the processes and the constraints imposed on the catalyst/adsorbent. Three major areas are covered: oil refining, petrochemicals and fine chemicals. A chapter on the (curative) use of zeolites in pollution abatement completes this overview.In the area of oil refining, a general lecture sets the scene for present and future challenges. It is followed by in-depth case studies involving FCC, hydrocracking and light naphtha isomerization. Also, an entire chapter is devoted to the often-overlooked subject of base oils.In the area of petrochemicals, the processing of aromatics and olefins is described and special attention is paid to the synergy between catalysis and separation on molecular sieves.
Covalent Materials and Hybrids
Moving through the historical evolution of traditional amorphous 1D organic polymers to crystalline 3D networks, through 0D molecular cages and 2D frameworks, this book takes the reader on a journey on how covalently bonded materials and their hybrids can change the material world through applications relevant to energy, water and the environment. Looking at future demands from the materials that we use, strong, heavy and thermodynamically stable metals have been independently taken over by carbon allotropes and analogous materials. Equipment and instruments are becoming smaller and lighter, with research driving towards future organic materials with advanced physical, chemical, mechanical a...
Knowledge-Based Intelligent Information and Engineering Systems
The three volume set LNAI 4251, LNAI 4252, and LNAI 4253 constitutes the refereed proceedings of the 10th International Conference on Knowledge-Based Intelligent Information and Engineering Systems, KES 2006, held in Bournemouth, UK, in October 2006. The 480 revised papers presented were carefully reviewed and selected from about 1400 submissions. The papers present a wealth of original research results from the field of intelligent information processing.
Dynamic Covalent Chemistry
The first and only exhaustive review of the theory, thermodynamic fundamentals, mechanisms, and design principles of dynamic covalent systems Dynamic Covalent Chemistry: Principles, Reactions, and Applications presents a comprehensive review of the theory, thermodynamic fundamentals, mechanisms, and design principles of dynamic covalent systems. It features contributions from a team of international scientists, grouped into three main sections covering the principles of dynamic covalent chemistry, types of dynamic covalent chemical reactions, and the latest applications of dynamic covalent chemistry (DCvC) across an array of fields. The past decade has seen tremendous progress in (DCvC) rese...
