Determination Of Physical Properties Of Energetic Ionic Liquids Using Molecular Simulations

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The Properties of Energetic Materials

Author : Mohammad Hossein Keshavarz
Publisher : Walter de Gruyter GmbH & Co KG
ISBN 13 : 3110740249
Total Pages : 245 pages
Book Rating : 4.1/5 (17 download)

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Book Synopsis The Properties of Energetic Materials by : Mohammad Hossein Keshavarz

Download or read book The Properties of Energetic Materials written by Mohammad Hossein Keshavarz and published by Walter de Gruyter GmbH & Co KG. This book was released on 2021-10-25 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: For a chemist who is concerned with the synthesis of new energetic compounds, it is essential to be able to assess physical and thermodynamic properties, as well as the sensitivity, of possible new energetic compounds before synthesis is attempted. Various approaches have been developed to predict important aspects of the physical and thermodynamic properties of energetic materials including (but not limited to): crystal density, heat of formation, melting point, enthalpy of fusion and enthalpy of sublimation of an organic energetic compound. Since an organic energetic material consists of metastable molecules capable of undergoing very rapid and highly exothermic reactions, many methods have been developed to estimate the sensitivity of an energetic compound with respect to detonationcausing external stimuli such as heat, friction, impact, shock and electrostatic discharge. This book introduces these methods and demonstrates those methods which can be easily applied.

Structures and Interactions of Ionic Liquids

Author : Suojiang Zhang
Publisher : Springer
ISBN 13 : 3642386199
Total Pages : 201 pages
Book Rating : 4.6/5 (423 download)

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Book Synopsis Structures and Interactions of Ionic Liquids by : Suojiang Zhang

Download or read book Structures and Interactions of Ionic Liquids written by Suojiang Zhang and published by Springer. This book was released on 2013-12-20 with total page 201 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structures, Bonding and Hydrogen Bonds, by Kun Dong, Qian Wang, Xingmei Lu, Suojiang Zhang Aggregation in System of Ionic Liquids, by Jianji Wang, Huiyong Wang Dissolution of Biomass Using Ionic Liquids, by Hui Wang, Gabriela Gurau, Robin D. Rogers Effect of the Structures of Ionic Liquids on Their Physical-Chemical Properties, by Yu-Feng Hu, Xiao-Ming Peng Microstructure study of Ionic liquids by spectroscopy, by Haoran Li Structures and Thermodynamic Properties of Ionic Liquids, by Tiancheng Mu, Buxing Han

Fundamentals of Ionic Liquids

Author : Douglas R. MacFarlane
Publisher : John Wiley & Sons
ISBN 13 : 352733999X
Total Pages : 275 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Fundamentals of Ionic Liquids by : Douglas R. MacFarlane

Download or read book Fundamentals of Ionic Liquids written by Douglas R. MacFarlane and published by John Wiley & Sons. This book was released on 2017-12-04 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by experts who have been part of this field since its beginnings in both research and academia, this textbook introduces readers to this evolving topic and the broad range of applications that are being explored. The book begins by examining what it is that defines ionic liquids and what sets them apart from other materials. Chapters describe the various types of ionic liquids and the different techniques used to synthesize them, as well as their properties and some of the methods used in their measurement. Further chapters delve into synthetic and electrochemical applications and their broad use as "Green" solvents. Final chapters examine important applications in a wide variety of contexts, including such devices as solar cells and batteries, electrochemistry, and biotechnology. The result is a must-have resource for any researcher beginning to work in this growing field, including senior undergraduates and postgraduates.

Ionic Liquid Crystals

Author : Giacomo Saielli
Publisher : MDPI
ISBN 13 : 3039210866
Total Pages : 108 pages
Book Rating : 4.0/5 (392 download)

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Book Synopsis Ionic Liquid Crystals by : Giacomo Saielli

Download or read book Ionic Liquid Crystals written by Giacomo Saielli and published by MDPI. This book was released on 2019-06-24 with total page 108 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this book we have collected a series of state-of-the art papers written by specialists in the field of ionic liquid crystals (ILCs) to address key questions concerning the synthesis, properties, and applications of ILCs. New compounds exhibiting ionic liquid crystalline phases are presented, both of calamitic as well as discotic type. Their dynamic and structural properties have been investigated with a series of experimental techniques including differential scanning calorimetry, polarized optical spectroscopy, X-ray scattering, and nuclear magnetic resonance, impedance spectroscopy to mention but a few. Moreover, computer simulations using both fully atomistic and highly coarse-grained force fields have been presented, offering an invaluable microscopic view of the structure and dynamics of these fascinating materials.

Encyclopedia of Ionic Liquids

Author : Suojiang Zhang
Publisher : Springer Nature
ISBN 13 : 9813342218
Total Pages : 1391 pages
Book Rating : 4.8/5 (133 download)

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Book Synopsis Encyclopedia of Ionic Liquids by : Suojiang Zhang

Download or read book Encyclopedia of Ionic Liquids written by Suojiang Zhang and published by Springer Nature. This book was released on 2023-02-03 with total page 1391 pages. Available in PDF, EPUB and Kindle. Book excerpt: The encyclopedia consists 13 subareas as follows: 1: Synthesis and Characterisation of Ionic Liquids (Section Editors: Prof. Fu-Wei Li and Prof. Zhen Li) 2: Physicochemical Properties of Ionic Liquids (Section Editors: Asso. Prof. Qing Zhou, Prof. Xingmei Lu and Prof. Xiaoyan Ji) 3: Computational and Theoretical Modeling of Ionic Liquids (Section Editors: Prof. Guang Feng and Prof. Peter T. Cummings) 4: Toxicology and Biodegradation of Ionic Liquids (Section Editors: Prof. Chunxi Li and Prof. Stefan Stolte) 5: Ionic Liquids in Electrochemistry (Section Editors: Prof. Yingying Lu, Prof. Houlong Zhuang and Prof. Chuan Zhao) 6. Ionic Liquids in Organic Reaction (Section Editors: Prof. Liang-Nian He and Prof. Bhalchandra M. Bhanage) 7. Ionic Liquids in Separation (Section Editors: Prof. Huabin Xing) 8. Ionic Liquids in Biomass and Biomolecules (Section Editors: Prof. Toshiyuki Itoh and Prof. Jian Sun) 9. Ionic Liquids in Materials Science (Section Editors: Prof. Sheng Dai and Prof. Tao Wang) 10. Ionic Liquids in Polymer Science (Section Editors: Asso. Prof. Jinming Zhang and Prof. Jun Zhang) 11. Ionic Liquids in Environmental Science (Section Editors: Prof. Tiancheng Mu, Prof. Arunprakash T. Karunanithi and Prof. Yingxiong Wang) 12. Ionic Liquids in Green Chemistry (Section Editors: Prof. Buxing Han and Prof. Peter Licence) 13. Emerging Applications of Ionic Liquids (Pharmacology, Food Science, Agriculture, Nuclear Science Technology, Optics) (Section Editors: Prof. Zhonghao Li and Prof. Maya Guncheva) This encyclopedia is systematic and comprehensive, with detailed descriptions about theory, technology, and industrial applications. This encyclopedia is valuable for students, researchers and industrial players, giving them a quick understanding and overview of ionic liquids in various aspects.

Impact of Thermal Conductivity on Energy Technologies

Author : Aamir Shahzad
Publisher : BoD – Books on Demand
ISBN 13 : 178923672X
Total Pages : 210 pages
Book Rating : 4.7/5 (892 download)

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Book Synopsis Impact of Thermal Conductivity on Energy Technologies by : Aamir Shahzad

Download or read book Impact of Thermal Conductivity on Energy Technologies written by Aamir Shahzad and published by BoD – Books on Demand. This book was released on 2018-09-05 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is intended to provide a deep understanding on the advanced treatments of thermal properties of materials through experimental, theoretical, and computational techniques. This area of interest is being taught in most universities and institutions at the graduate and postgraduate levels. Moreover, the increasing modern technical and social interest in energy has made the study of thermal properties more significant and exciting in the recent years. This book shares with the international community a sense of global motivation and collaboration on the subject of thermal conductivity and its wide spread applications in modern technologies. This book presents new results from leading laboratories and researchers on topics including materials, thermal insulation, modeling, steady and transient measurements, and thermal expansion. The materials of interest range from nanometers to meters, bringing together ideas and results from across the research field.

Ionic Liquids: Properties and Applications

Author : Francesca D’Anna
Publisher : Frontiers Media SA
ISBN 13 : 2889630056
Total Pages : 360 pages
Book Rating : 4.8/5 (896 download)

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Book Synopsis Ionic Liquids: Properties and Applications by : Francesca D’Anna

Download or read book Ionic Liquids: Properties and Applications written by Francesca D’Anna and published by Frontiers Media SA. This book was released on 2019-10-17 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: Sustainability, defined as the way to meet the needs of the present generation without compromising the ability of future ones to meet their own, is one of the main challenges of modern society. Within this context, chemistry plays a significant role, and solvent nature as well as its environmental impact are pivotal issues frequently addressed. Ionic liquids, i.e. organic salts that have melting temperatures lower than 100 °C, have been frequently hailed as alternatives to conventional organic solvents. Their greenness has been mainly ascribed to their low vapor pressure and flammability. However, in addition to this, their high solubilizing ability and low miscibility with conventional organic solvents frequently allow for reducing the amount used, as well as for their recycling. Ionic liquids, especially the ones featured by aromatic cations, are frequently described as “polymeric supramolecular fluids” constructed through the establishment of feeble but cooperative supramolecular interactions like Coulomb and π-π interactions, as well as hydrogen bonds. In general, ionic liquids are also indicated as “designer solvents” as it is possible to tailor their features to specific applications by simply modifying their cation or anion structure. In this way, small changes in the ion’s structure can give rise to solvents showing very different properties. The above premises widely justify the growing interest in the properties and applications of ionic liquids, seen in recent literature (according to Scopus, more than 27,000 papers published in the last five years have “ionic liquids” as a keyword). Thanks to their properties, they have been variously used as solvent media, solvents for the obtainment of gel phases, components in the building of dye-sensitized solar cells, media for the preparation of thermochromic materials, etc. This Research Topic aims to present how structural features can determine not only the properties of ionic liquids, but also their possible employment. In this latter case, the interest arises from their ability to affect the outcome of a given reaction in terms of rate, yield, and nature of the products obtained for general use in the field of materials chemistry. This article collection is dedicated to Prof. Kenneth R. Seddon for his outstanding contribution to the formation and development of the ionic liquids community.

Ionic Liquids in Lipid Processing and Analysis

Author : Xuebing Xu
Publisher : Elsevier
ISBN 13 : 1630670480
Total Pages : 486 pages
Book Rating : 4.6/5 (36 download)

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Book Synopsis Ionic Liquids in Lipid Processing and Analysis by : Xuebing Xu

Download or read book Ionic Liquids in Lipid Processing and Analysis written by Xuebing Xu and published by Elsevier. This book was released on 2016-02-13 with total page 486 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book serves as a reference for those interested in state-of-the-art research on the science and technology of ionic liquids (ILs), particularly in relation to lipids processing and analysis. Topics include a review of the chemistry and physics of ILs as well as a quantitative understanding of structure-activity relationships at the molecular level. Further, chapter authors examine the molecular basis of the toxicity of ILs, the prediction of the properties of ILs, and the rationale and steps toward a priori design of ionic liquids for task-defined applications. Emerging research in developing lipid-inspired ILs and their prospective use in drug formulation is described. Among the highlights are the latest advances in IL-mediated biocatalysis and biotransformation, along with lipase production, purification, and activation. - Reviews the state-of-the-art applications of ionic liquids in lipid processing and relevant areas from a variety of perspectives - Summarizes the latest advances in the measurement of the physical and chemical properties of ionic liquids and available databases of thermodynamic property datapoints - Presents the tremendous opportunities provided and challenges faced from ionic liquids as a newly emerging technology for lipids processing area

Fundamentals of Ionic Liquids

Author : Douglas R. MacFarlane
Publisher : John Wiley & Sons
ISBN 13 : 3527340025
Total Pages : 350 pages
Book Rating : 4.5/5 (273 download)

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Book Synopsis Fundamentals of Ionic Liquids by : Douglas R. MacFarlane

Download or read book Fundamentals of Ionic Liquids written by Douglas R. MacFarlane and published by John Wiley & Sons. This book was released on 2017-08-02 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Written by experts who have been part of this field since its beginnings in both research and academia, this textbook introduces readers to this evolving topic and the broad range of applications that are being explored. The book begins by examining what it is that defines ionic liquids and what sets them apart from other materials. Chapters describe the various types of ionic liquids and the different techniques used to synthesize them, as well as their properties and some of the methods used in their measurement. Further chapters delve into synthetic and electrochemical applications and their broad use as "Green" solvents. Final chapters examine important applications in a wide variety of contexts, including such devices as solar cells and batteries, electrochemistry, and biotechnology. The result is a must-have resource for any researcher beginning to work in this growing field, including senior undergraduates and postgraduates.

Green Solvents II

Author : Ali Mohammad
Publisher : Springer Science & Business Media
ISBN 13 : 9400728905
Total Pages : 518 pages
Book Rating : 4.4/5 (7 download)

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Book Synopsis Green Solvents II by : Ali Mohammad

Download or read book Green Solvents II written by Ali Mohammad and published by Springer Science & Business Media. This book was released on 2012-03-19 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: The conventional solvents used in chemical, pharmaceutical, biomedical and separation processes represent a great challenge to green chemistry because of their toxicity and flammability. Since the beginning of “the 12 Principles of Green Chemistry” in 1998, a general effort has been made to replace conventional solvents with environmentally benign substitutes. Water has been the most popular choice so far, followed by ionic liquids, surfactant, supercritical fluids, fluorous solvents, liquid polymers, bio-solvents and switchable solvent systems. Green Solvents Volume I and II provides a throughout overview of the different types of solvents and discusses their extensive applications in fields such as extraction, organic synthesis, biocatalytic processes, production of fine chemicals, removal of hydrogen sulphide, biochemical transformations, composite material, energy storage devices and polymers. These volumes are written by leading international experts and cover all possible aspects of green solvents’ properties and applications available in today’s literature. Green Solvents Volume I and II is an invaluable guide to scientists, R&D industrial specialists, researchers, upper-level undergraduates and graduate students, Ph.D. scholars, college and university professors working in the field of chemistry and biochemistry.

Ionic Liquids

Author : Suojiang Zhang
Publisher : Elsevier
ISBN 13 : 0080959075
Total Pages : 521 pages
Book Rating : 4.0/5 (89 download)

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Book Synopsis Ionic Liquids by : Suojiang Zhang

Download or read book Ionic Liquids written by Suojiang Zhang and published by Elsevier. This book was released on 2009-06-13 with total page 521 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive database on physical properties of pure ionic liquids (ILs) contains data collected from 269 peer-reviewed papers in the period from 1982 to June 2008. There are more than 9,400 data points on the 29 kinds of physicochemical properties for 1886 available ionic liquids, from which 807 kinds of cations and 185 kinds of anions were extracted. This book includes nearly all known pure ILs and their known physicochemical properties through June 2008. In addition, the authors incorporate the main applications of individual ILs and a large number of references. - Nearly 50 tables include typical data, experimental and modelling or simulation comparison, and model parameters, enhancing the application of ILs - 100 figures--from QSPR, EOS and gE models to quantum and molecular simulations--help readers understand ILs at molecular level - Applications illustrate the role of IL properties in industry, in particular the development of novel clean processes and products

Ionic Liquids in Synthesis

Author : Peter Wasserscheid
Publisher :
ISBN 13 :
Total Pages : 392 pages
Book Rating : 4.:/5 ( download)

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Book Synopsis Ionic Liquids in Synthesis by : Peter Wasserscheid

Download or read book Ionic Liquids in Synthesis written by Peter Wasserscheid and published by . This book was released on 2008 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: "The second, completely revised and enlarged edition of what has become the standard reference work in this fascinating field brings together the latest developments, supplemented by numerous practical tips, providing those working in both research and industry with an indispensable source of information. New contributions have been added, to reflect the fact that industrial processes are already established, and ionic liquids are now commercially available. A must for everyone working in the field."--Publisher's description.

Process Systems and Materials for CO2 Capture

Author : Athanasios I. Papadopoulos
Publisher : John Wiley & Sons
ISBN 13 : 1119106443
Total Pages : 686 pages
Book Rating : 4.1/5 (191 download)

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Book Synopsis Process Systems and Materials for CO2 Capture by : Athanasios I. Papadopoulos

Download or read book Process Systems and Materials for CO2 Capture written by Athanasios I. Papadopoulos and published by John Wiley & Sons. This book was released on 2017-05-01 with total page 686 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive volume brings together an extensive collection of systematic computer-aided tools and methods developed in recent years for CO2 capture applications, and presents a structured and organized account of works from internationally acknowledged scientists and engineers, through: Modeling of materials and processes based on chemical and physical principles Design of materials and processes based on systematic optimization methods Utilization of advanced control and integration methods in process and plant-wide operations The tools and methods described are illustrated through case studies on materials such as solvents, adsorbents, and membranes, and on processes such as absorption / desorption, pressure and vacuum swing adsorption, membranes, oxycombustion, solid looping, etc. Process Systems and Materials for CO2 Capture: Modelling, Design, Control and Integration should become the essential introductory resource for researchers and industrial practitioners in the field of CO2 capture technology who wish to explore developments in computer-aided tools and methods. In addition, it aims to introduce CO2 capture technologies to process systems engineers working in the development of general computational tools and methods by highlighting opportunities for new developments to address the needs and challenges in CO2 capture technologies.

Molten Salts and Ionic Liquids

Author : Marcelle Gaune-Escard
Publisher : John Wiley & Sons
ISBN 13 : 0470947764
Total Pages : 466 pages
Book Rating : 4.4/5 (79 download)

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Book Synopsis Molten Salts and Ionic Liquids by : Marcelle Gaune-Escard

Download or read book Molten Salts and Ionic Liquids written by Marcelle Gaune-Escard and published by John Wiley & Sons. This book was released on 2012-07-06 with total page 466 pages. Available in PDF, EPUB and Kindle. Book excerpt: For many years, the related fields of molten salts and ionic liquids have drifted apart, to their mutual detriment. Both molten salts and ionic liquids are liquid salts containing only ions - all that is different is the temperature! Both fields involve the study of Coulombic fluids for academic and industrial purposes; both employ the same principles; both require skilled practitioners; both speak the same language; all then that is truly different is their semantics, and how superficial is that? The editors of this book, recognising that there was so much knowledge, both empirical and theoretical, which can be passed from the molten salt community to the ionic liquid community, and vice versa, organised a landmark meeting in Tunisia, designed to bridge the gap and heal the rift. Leaders from both communities met for a week for a mutual exchange, with a high tutorial content intermixed with cutting edge findings. This volume is a condensate of the principal offerings of that week, and emphasises the success which was achieved. Indeed, four future biannual meetings, under the title of “EUCHEM Conferences on Molten Salts and Ionic Liquids”, have now been planned as a direct result of this meeting of minds. Topics discussed in this volume include structure, dynamics, electrochemistry, interfacial and thermodynamic properties, spectroscopy, synthesis, and theoretical studies. Experimental and theoretical methods for investigating these data are elaborated, as are techniques for data collection and analysis. This book represents the first serious discussion on the transfer of these methods and techniques between the differing temperature regimes, and is a major contribution to the future of both fields.

Molecular Simulation Studies on Thermophysical Properties

Author : Gabriele Raabe
Publisher : Springer
ISBN 13 : 9811035458
Total Pages : 324 pages
Book Rating : 4.8/5 (11 download)

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Book Synopsis Molecular Simulation Studies on Thermophysical Properties by : Gabriele Raabe

Download or read book Molecular Simulation Studies on Thermophysical Properties written by Gabriele Raabe and published by Springer. This book was released on 2017-02-17 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions to Monte Carlo and molecular dynamics simulation techniques. It also offers an overview of force-field models for molecular simulations and their parameterization, with a discussion of specific aspects. The book then summarizes the available know-how for analyzing molecular simulation outputs to derive information on thermophysical and structural properties. Both the force-field modeling and the analysis of simulation outputs are illustrated by various examples. Simulation studies on recently introduced HFO compounds as working fluids for different technical applications demonstrate the value of molecular simulations in providing predictions for poorly understood compounds and gaining a molecular-level understanding of their properties. This book will prove a valuable resource to researchers and students alike.

Ionic Liquids

Author : Scott Handy
Publisher : BoD – Books on Demand
ISBN 13 : 9535129015
Total Pages : 608 pages
Book Rating : 4.5/5 (351 download)

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Book Synopsis Ionic Liquids by : Scott Handy

Download or read book Ionic Liquids written by Scott Handy and published by BoD – Books on Demand. This book was released on 2017-02-22 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ionic liquids, including the newer subcategory of deep eutectic solvents, continue to attract a great deal of research attention in an even increasing number of areas, including traditional areas such as synthesis (organic and materials), electrochemistry, and physical property studies and predictions, as well as less obvious areas such as lubrication and enzymatic transformations. In this volume, recent advances in a number of these different areas are reported and reviewed, thus granting some appreciation for the future that ionic liquid research holds and affording inspiration for those who have not previously considered the application of ionic liquids in their area of interest.

The Structure of Ionic Liquids

Author : Ruggero Caminiti
Publisher : Springer Science & Business Media
ISBN 13 : 3319016989
Total Pages : 202 pages
Book Rating : 4.3/5 (19 download)

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Book Synopsis The Structure of Ionic Liquids by : Ruggero Caminiti

Download or read book The Structure of Ionic Liquids written by Ruggero Caminiti and published by Springer Science & Business Media. This book was released on 2013-11-09 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume describes the most recent findings on the structure of ILs interpreted through cutting-edge experimental and theoretical methods. Research in the field of ionic liquids (ILs) keeps a fast and steady pace. Since these new-generation molten salts first appeared in the chemistry and physics landscape, a large number of new compounds has been synthesized. Most of them display unexpected behaviour and possess stunning properties. The coverage in this book ranges from the mesoscopic structure of ILs to their interaction with proteins. The reader will learn how diffraction techniques (small and large angle X-Ray and neutron scattering, powder methods), X-Ray absorption spectroscopies (EXAFS/XANES), optical methods (IR, RAMAN), NMR and calorimetric methods can help the study of ILs, both as neat liquids and in mixtures with other compounds. It will enable the reader to choose the best method to suit their experimental needs. A detailed survey of theoretical methods, both quantum-chemical and classical, and of their predictive power will accompany the exposition of experimental ones. This book is a must read for postgraduate students, for post-docs, and for researchers who are interested in understanding the structural properties of ILs.