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Theoretical And Computational Approaches To Predicting Ionic Liquid Properties

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Theoretical and Computational Approaches to Predicting Ionic Liquid Properties

Theoretical and Computational Approaches to Predicting Ionic Liquid Properties Book
Author : Aswathy Joseph,Suresh Mathew
Publisher : Elsevier
Release : 2020-11-27
ISBN : 0128202815
Language : En, Es, Fr & De

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Book Description :

Theoretical and Computational Approaches to Predicting Ionic Liquid Properties highlights new approaches to predicting and understanding ionic liquid behavior and selecting ionic liquids based on theoretical knowledge corroborated by experimental studies. Supported throughout with case studies, the book provides a comparison of the accuracy and efficiency of different theoretical approaches. Sections cover the need for integrating theoretical research with experimental data, conformations, electronic structure and non-covalent interactions, microstructures and template effects, thermodynamics and transport properties, and spectro-chemical characteristics. Catalytic and electrochemical properties are then explored, followed by interfacial properties and solvation dynamics. Structured for ease of use, and combining the research knowledge of a global team of experts in the field, this book is an indispensable tool for those involved with the research, development and application of ionic liquids across a vast range of fields. Highlights new approaches for selecting ionic liquids by combining theoretical knowledge with experimental and simulation-based observations Discusses how theoretical simulation can help in selecting specific anion-cation combinations to show enhanced properties of interest Compares the accuracy and efficiency of different theoretical approaches for predicting ionic and liquid characteristics

Nanotechnology Based Industrial Applications of Ionic Liquids

Nanotechnology Based Industrial Applications of Ionic Liquids Book
Author : Inamuddin,Abdullah M. Asiri
Publisher : Springer Nature
Release : 2020-09-03
ISBN : 3030449955
Language : En, Es, Fr & De

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Book Description :

Numerous solvents used in chemical processes have poisonous and unsafe properties that pose significant ecological concerns ranging from atmospheric emissions to the contamination of water effluents. To combat these ecological threats, over the course of the past two decades, the field of green chemistry has grown to develop more natural reaction processes and techniques involving the use of nonconventional solvents to diminish waste solvent production and thus decrease negative impact on the environment. Ionic liquids in particular are more environmentally friendly substitutes to conventional solvents, and as such, have seen more widespread use in the past decade. They have been used in such processes as extraction, separation, purification of organic, inorganic, and bioinorganic compounds, reaction media in biochemical and chemical catalysis, green organic and drug synthesis, among other industrial applications. Thus, in proving themselves a suitable greener media for economic viability in chemical processes, ionic liquids are leading to more sustainable development. This edition explores the application of ionic liquids as a green solvent. It contains a state-of-the-art overview on ionic liquids as green solvents for chemical processes and techniques, as well as some of their useful industrial applications.

Application of Ionic Liquids in Biotechnology

Application of Ionic Liquids in Biotechnology Book
Author : Toshiyuki Itoh,Yoon-Mo Koo
Publisher : Springer
Release : 2019-09-13
ISBN : 3030230813
Language : En, Es, Fr & De

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Book Description :

This volume explores how ionic liquids are used in different areas of biotechnology. It also provides insights on the interaction of ionic liquids with biomolecules and biomaterials. Ionic liquids have become essential players in the fields of synthesis, catalysis, extraction and electrochemistry, and their unique properties have opened a wide range of applications in biotechnology. Readers will discover diverse examples of the application of ionic liquids as solvents for biomaterials extraction and pretreatment, in enzymatic and whole cell catalysed reaction, and as activation agents for biocatalysis. Particular attention is given to the biologically functionalized ionic liquids employed in medical and pharmaceutical applications. Although ionic liquids are considered “green solvents”, the contributing authors will also explore their environmental impact when applied to biotechnology. Chemical, biological and medical scientists interested in ionic liquids and biotechnology will find this work instructive and informative.

Computational Approaches for Studying Enzyme Mechanism

Computational Approaches for Studying Enzyme Mechanism Book
Author : Anonim
Publisher : Academic Press
Release : 2016-08-04
ISBN : 0128053631
Language : En, Es, Fr & De

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Book Description :

Computational Approaches for Studying Enzyme Mechanism Part A, is the first of two volumes in the Methods in Enzymology series, focusses on computational approaches for studying enzyme mechanism. The serial achieves the critically acclaimed gold standard of laboratory practices and remains one of the most highly respected publications in the molecular biosciences. Each volume is eagerly awaited, frequently consulted, and praised by researchers and reviewers alike. Now with over 550 volumes, the series remains a prominent and essential publication for researchers in all fields of life sciences and biotechnology, including biochemistry, chemical biology, microbiology, synthetic biology, cancer research, and genetics to name a few. Focuses on computational approaches for studying enzyme mechanism Continues the legacy of this premier serial with quality chapters authored by leaders in the field Covers research methods in intermediate filament associated proteins, and contains sections on such topics as lamin-associated proteins, intermediate filament-associated proteins and plakin, and other cytoskeletal cross-linkers

Ionic Liquids

Ionic Liquids Book
Author : Barbara Kirchner,Bronya Clare
Publisher : Springer Science & Business Media
Release : 2009-12-14
ISBN : 3642017797
Language : En, Es, Fr & De

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Book Description :

See Table of Contents (PMP)

Thermodynamic and transport properties of aqueous and molten electrolytes

Thermodynamic and transport properties of aqueous and molten electrolytes Book
Author : B. E. Conway
Publisher : Plenum Pub Corp
Release : 1983
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Thermodynamic and transport properties of aqueous and molten electrolytes book written by B. E. Conway, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Theory and Simulation in Physics for Materials Applications

Theory and Simulation in Physics for Materials Applications Book
Author : Elena V. Levchenko,Yannick J. Dappe,Guido Ori
Publisher : Springer Nature
Release : 2020-02-14
ISBN : 3030377903
Language : En, Es, Fr & De

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Book Description :

This book provides a unique and comprehensive overview of the latest advances, challenges and accomplishments in the rapidly growing field of theoretical and computational materials science. Today, an increasing number of industrial communities rely more and more on advanced atomic-scale methods to obtain reliable predictions of materials properties, complement qualitative experimental analyses and circumvent experimental difficulties. The book examines some of the latest and most advanced simulation techniques currently available, as well as up-to-date theoretical approaches adopted by a selected panel of twelve international research teams. It covers a wide range of novel and advanced materials, exploring their structural, elastic, optical, mass and electronic transport properties. The cutting-edge techniques presented appeal to physicists, applied mathematicians and engineers interested in advanced simulation methods in materials science. The book can also be used as additional literature for undergraduate and postgraduate students with majors in physics, chemistry, applied mathematics and engineering.

Australian Journal of Chemistry

Australian Journal of Chemistry Book
Author : Anonim
Publisher : Unknown
Release : 2009
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Australian Journal of Chemistry book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Dissertation Abstracts International

Dissertation Abstracts International Book
Author : Anonim
Publisher : Unknown
Release : 2008
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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Oil Gas Science and Technology

Oil   Gas Science and Technology Book
Author : Anonim
Publisher : Unknown
Release : 2008
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Oil Gas Science and Technology book written by , available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Handbook of Elastic Properties of Solids Liquids and Gases Elastic properties of solids biological and organic materials earth and marine sciences

Handbook of Elastic Properties of Solids  Liquids and Gases  Elastic properties of solids   biological and organic materials  earth and marine sciences Book
Author : Moises Levy,Henry E. Bass,Richard Stern
Publisher : Unknown
Release : 2001
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Handbook of Elastic Properties of Solids Liquids and Gases Elastic properties of solids biological and organic materials earth and marine sciences book written by Moises Levy,Henry E. Bass,Richard Stern, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Advanced Catalytic Materials

Advanced Catalytic Materials Book
Author : Anonim
Publisher : Unknown
Release : 1999
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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Comprehensive Treatise of Electrochemistry Thermodynamic and transport properties of aqueous and molten electrolytes

Comprehensive Treatise of Electrochemistry  Thermodynamic and transport properties of aqueous and molten electrolytes Book
Author : John O'M. Bockris,B. E. Conway,Ernest B. Yeager
Publisher : Unknown
Release : 1980
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Comprehensive Treatise of Electrochemistry Thermodynamic and transport properties of aqueous and molten electrolytes book written by John O'M. Bockris,B. E. Conway,Ernest B. Yeager, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Ionic Liquids III

Ionic Liquids III Book
Author : Robin D. Rogers,Kenneth R. Seddon
Publisher : Amer Chemical Society
Release : 2005
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Contributors discuss the use of Ionic Liquids as replacements for Volatile Organic Compounds as industrial solvents, while highlighting how a lack of research in industrial applications may be hindering the utilisation of green solvents.

Theoretical Chemical Engineering Abstracts

Theoretical Chemical Engineering Abstracts Book
Author : Anonim
Publisher : Unknown
Release : 1982
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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Computational Methods in Science and Engineering

Computational Methods in Science and Engineering Book
Author : George Maroulis,Theodore E. Simos
Publisher : American Inst. of Physics
Release : 2007-12-14
ISBN : 9780735404779
Language : En, Es, Fr & De

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Book Description :

All papers have been peer-reviewed. The aim of ICCMSE 2007 is to bring together computational scientists and engineers from several disciplines in order to share methods, methodologies and ideas. The potential readers of these proceedings are all the scientists with interest in the following fields: Computational Mathematics, Theoretical Physics, Computational Physics, Theoretical Chemistry, Computational Chemistry, Mathematical Chemistry, Computational Engineering, Computational Mechanics, Computational Biology and Medicine, Scientific Computation, High Performance Computing, Parallel and Distributed Computing, Visualization, Problem Solving Environments, Software Tools, Advanced Numerical Algorithms, Modeling and Simulation of Complex Systems, Web-based Simulation and Computing, Grid-based Simulation and Computing, Computational Grids, and Computer Science.

Computational Spectroscopy

Computational Spectroscopy Book
Author : Jörg Grunenberg
Publisher : John Wiley & Sons
Release : 2011-08-24
ISBN : 3527643621
Language : En, Es, Fr & De

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Book Description :

Unique in its comprehensive coverage of not only theoretical methods but also applications in computational spectroscopy, this ready reference and handbook compiles the developments made over the last few years, from single molecule studies to the simulation of clusters and the solid state, from organic molecules to complex inorganic systems and from basic research to commercial applications in the area of environment relevance. In so doing, it covers a multitude of apparatus-driven technologies, starting with the common and traditional spectroscopic methods, more recent developments (THz), as well as rather unusual methodologies and systems, such as the prediction of parity violation, rare gas HI complexes or theoretical spectroscopy of the transition state. With its summarized results of so many different disciplines, this timely book will be of interest to newcomers to this hot topic while equally informing experts about developments in neighboring fields.

Chemical Engineering Progress

Chemical Engineering Progress Book
Author : Anonim
Publisher : Unknown
Release : 2009
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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Computational Methods in Sciences and Engineering 2003

Computational Methods in Sciences and Engineering 2003 Book
Author : T E Simos
Publisher : World Scientific
Release : 2003-08-26
ISBN : 9814485098
Language : En, Es, Fr & De

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Book Description :

In the past few decades, many significant insights have been gained into several areas of computational methods in sciences and engineering. New problems and methodologies have appeared in some areas of sciences and engineering. There is always a need in these fields for the advancement of information exchange. The aim of this book is to facilitate the sharing of ideas, problems and methodologies between computational scientists and engineers in several disciplines. Extended abstracts of papers on the recent advances regarding computational methods in sciences and engineering are provided. The book briefly describes new methods in numerical analysis, computational mathematics, computational and theoretical physics, computational and theoretical chemistry, computational biology, computational mechanics, computational engineering, computational medicine, high performance computing, etc. Contents:Components for Time Series Receiver Clock Offset in GPS Solutions (P Abad)Some Numerical Methods for Stiff Problems (J C Butcher)Bifurcation Phenomena in Molecular Vibrational Spectroscopy (S C Farantos)Simulations of Spart in Random Fields (D T Hristopoulos)Electric Properties of Substituted Diacetylenes (P Karamanis & G Maroulis)Data Mining and Cryptology (E C Laskari et al.)A Finite Element Approach for the Dirac Radial Equation (L A A Nikolopoulos)Constraint Based Web Mining (I Petrounias et al.)Axisymmetric Rigid Bodies in Creeping Flow (J Roumeliotis)The Impact of Graphics Calculator on Mathematics Education in Asia (C-Y Suen)On the Systematic Construction of Molecular Basis Sets (S Wilson)and other papers Readership: Researchers and graduate students in any discipline involving scientific computation. Keywords:Numerical Analysis;Computational Mathematics;Computational and Theoretical Physics;Computational Chemistry;Computational Biology;Computational Mechanics;Computational Engineering, Computational Medicine;High Performance Computing

Government Reports Announcements Index

Government Reports Announcements   Index Book
Author : Anonim
Publisher : Unknown
Release : 1990
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

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