Download or read book SPECTROSCOPIC STUDIES OF STRUCTURE DYNAMICS AND REACTIVITY IN IONIC LIQUIDS written by and published by . This book was released on 2007 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Ionic liquids (ILs) are a rapidly expanding family of condensed-phase media with important applications in energy production, nuclear fuel and waste processing, improving the efficiency and safety of industrial chemical processes, and pollution prevention. ILs are generally nonvolatile, noncombustible, highly conductive, recyclable and capable of dissolving a wide variety of materials. They are finding new uses in chemical synthesis, catalysis, separations chemistry, electrochemistry and other areas. Ionic liquids have dramatically different properties compared to conventional molecular solvents, and they provide a new and unusual environment to test our theoretical understanding of charge transfer and other reactions. We are interested in how IL properties influence physical and dynamical processes that determine the stability and lifetimes of reactive intermediates and thereby affect the courses of chemical reactions and product distributions. Successful use of ionic liquids in radiation-filled environments, where their safety advantages could be significant, requires an understanding of ionic liquid radiation chemistry. For example, characterizing the primary steps of IL radiolysis will reveal radiolytic degradation pathways and suggest ways to prevent them or mitigate their effects on the properties of the material. An understanding of ionic liquid radiation chemistry will also facilitate pulse radiolysis studies of general chemical reactivity in ILs, which will aid in the development of applications listed above. Very early in our radiolysis studies it became evident that slow solvation dynamics of the excess electron in ILs (which vary over a wide viscosity range) increases the importance of pre-solvated electron reactivity and consequently alters product distributions. Parallel studies of IL solvation phenomena using coumarin-153 dynamic Stokes shifts and polarization anisotropy decay rates are done to compare with electron solvation studies and to evaluate the influence of ILs on charge transport processes. Picosecond pulse radiolysis studies at BNL's Laser-Electron Accelerator Facility (LEAF) [1] are used to identify reactive species in ionic liquids and measure their solvation and reaction rates. IL solvation and rotational dynamics are measured by TCSPC in the laboratory of E.W. Castner at Rutgers Univ. Investigations of radical species in irradiated ILs are carried out at ANL by I. Shkrob and S. Chemerisov using EPR spectroscopy.
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.
Download or read book Ionic Liquids for Green Energy Applications Local Structure and Dynamics by Advanced Spectroscopic Techniques written by Anna Martinelli and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Ionic Liquids Completely UnCOILed written by Natalia V. Plechkova and published by John Wiley & Sons. This book was released on 2015-12-10 with total page 583 pages. Available in PDF, EPUB and Kindle. Book excerpt: Critical overviews from the front line of ionic liquids research Ionic Liquids Completely UnCOILed: Critical Expert Overviews concludes the discussion of new processes and developments in ionic liquid technology introduced in the previously published volumes, Ionic Liquids UnCOILed and Ionic Liquids Further UnCOILed. The goal of this volume is to provide expert overviews that range from applied to theoretical, synthetic to structural, and analytical to toxicological. The value of book lies in the authors’ expertise, and their willingness to share it with the reader. Written by an international group of chemists, the book presents eleven overviews of specific areas of ionic liquid chemistry including: What is an Ionic Liquid? Molecular modelling Crystallography Chemical engineering of ionic liquid processes Toxicology and Biodegradation Organic reaction mechanisms Edited by Professor Ken Seddon and Dr Natalia Plechkova, world leaders in the field of ionic liquids, this book is a must read for R&D chemists, educators, and students, and for commercial developers of environmentally sustainable processes. It offers insight and appreciation for the direction in which the field is going, while also highlighting the best published works available, making it equally valuable to new and experienced chemists alike.
Download or read book Structural Dynamics and Charge Transport in Room Temperature Ionic Liquids written by Philip James Griffin and published by . This book was released on 2014 with total page 172 pages. Available in PDF, EPUB and Kindle. Book excerpt: Room temperature ionic liquids are an important class of materials due to their chemical tunability and numerous advantageous physicochemical properties. As a result, ionic liquids are currently being investigated for use in a wide array of chemical and electrochemical applications. Despite their great potential, however, the relationship between the chemical structure and physicochemical properties of ionic liquids is not well understood. To this end, this dissertation presents experimental studies of the reorientational structural dynamics and charge transport properties of a variety of room temperature ionic liquids using quasielastic light scattering spectroscopy and broadband dielectric spectroscopy. Studies of a series of 1-butyl-3-methylimidazolium based ionic liquids, in which the anion was systematically varied, have revealed that the anion chemical structure has a significant impact on the structural dynamics and charge transport properties of ionic liquids. As the anion becomes larger and more asymmetrical, ionic mobility increases strongly as a result of an increased fluidity. Surprisingly, the mole fraction of free ions remains unaffected by the anion chemical structure. The influence of cation chemical structure on the transport properties of ionic liquids was explored in a homologous series of tetra-alkylammonium based ionic liquids. It was found that pronounced chemical heterogeneity causes ionic liquids to exhibit complex and strongly heterogeneous molecular dynamics. Furthermore, when aliphatic side-groups of cations occupy a large liquid volume fraction, both the ion mobility as well as the mole fraction of free ions were found to decrease strongly as a consequence of pronounced nanophase segregation. The transport properties of a novel carboxylic acid-tertiary amine based protic ionic liquid were also studied in this dissertation. The structural dynamics and charge transport mechanism in this protic ionic liquid are surprisingly very similar to the aprotic ionic liquids, despite the fundamental differences in the intrinsic charge carrier. Through these comparative studies, this dissertation not only provides a fundamental understanding of the unique dynamical properties of room temperature ionic liquids, but it also elucidates the complex interrelationship between key chemical structure variations and molecular transport properties of these important materials.
Download or read book Ionic Liquids written by Barbara Kirchner and published by Springer Science & Business Media. This book was released on 2009-12-14 with total page 355 pages. Available in PDF, EPUB and Kindle. Book excerpt: See Table of Contents (PMP)
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
Download or read book Molecular Dynamics Simulations of Ionic Liquids and Ionic Liquid conventional Solvent Mixtures written by Brian Conway and published by . This book was released on 2019 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: This dissertation is comprised of three primary chapters which describe studies of the unique structure and dynamics present in ionic liquids and their mixtures with conventional solvents. Ionic liquids differ from conventional dipolar solvents in that consist of charge-separated ions, which allow for a richer variety of solvation structures than do dipolar solvents. Ionic liquids often have intriguing morphologies and dynamics, which are strongly influenced by the attractive and repulsive components of the constituent ions. When other solvents are added to create binary mixtures, these structural and dynamical peculiarities can be enhanced or largely eliminated. In this dissertation we examine ionic liquid structure and dynamics on a molecular level through molecular dynamics simulations. These simulations both help explain experimentally observed trends and provide new insights into these complex systems.Chapter 2 reports studies of the rotational behavior of 1-butyl-3-methylimidazolium tetrafluoroborate ([Im41][BF4]) mixed with acetonitrile (CH3CN). This study was performed in part to validate the dynamics of a force field later used to study solvation, but also out of interest in understanding the modes of motion by which the solvent or a benzene solute rotates. To do so, we compare experimental 2H T1 NMR relaxation times to simulated rotation times corresponding to various bond axes, which are directly related. The former reports only single time, which encompasses all relaxation mechanisms. In simulation, through calculation of a rotational correlation function, we observe the individual timescales on which various rotational axes relax. Some, like methyl groups, spin and relax very quickly, but slower modes, like those of the cation ring require tumbling motion to fully decorrelate from their initial orientation. We consider the timescales of these different types of motion and relate them to the friction on each motion, and reveal how each is related to solution viscosity.Chapter 3 uses the force fields validated in Chapter 2 to study the solvation structure and dynamics of the chromophore Coumarin 153 (C153) dissolved in [Im41][BF4] mixed with either CH3CN or H2O, as prototypical examples of dipolar aprotic and protic cosolvents. These conventional solvents serve to reduce the viscosity of the ionic liquids and make them more suitable for industrial use. Prior spectroscopic studies established the steady-state spectral shifts and time-resolved solvation response in these mixtures as functions of composition. The steady state spectra suggest that C153 is preferentially solvated in H2O in those mixtures, but the solute is insoluble in pure water. Here we focus on calculating analogs to the experimental values and using the atomistic detail of MD simulation to characterize the local solvation environment of C153 in these mixtures and isolate the solvent contributions responsible for the experimental observations, particularly those puzzling shifts in IL + H2O. In the CH3CN mixtures, the spectral shifts are unremarkable with solution composition. In this mixture, the ionic liquid and cosolvent mix essentially ideally, and the spectral shifts and dynamics indicate no preference for the C153 in either mixture component. However, in H2O, C153 is solvated almost entirely by ionic liquid. With increasing water concentration, the changes in the spectral shift can be isolated to contributions owing to H2O hydrogen-bound to a carbonyl on the chromophore. We conclude this work by explaining the motions that the solvent makes about C153 and how it relates to the observed spectral response.Chapter 4 discusses diffusion of small solutes in ionic liquids and dipolar solvents. Their diffusion reaches a curious regime in which the friction experienced by a solute drastically deviates from the Stokes-Einstein prediction. When the solute is much smaller than the solvent, neutral solutes diffuse much faster than expected and charged solutes much slower. Experimentally, this effect has been well documented. Here we try to explain these trends using MD simulation. By reducing our system to spherical single-site solutes, we simplify the interactions experienced. After reproducing the experimental trends, we examine solvation structure and how it gives rise to the observed differences between neutral and charged solute dynamics. Charged solutes typically have solvation shells that are significantly enriched in one of the ionic components, while the neutral solutes possess no such preference. The structurally ordered charged solutes are confined in solvation cages where they undergo in-cage vibrational motions, which persist for long times in the case of the smallest solutes. Likewise, these charged probes have the longest residence times, as a result of the strong attractions between the solute and solvent. Finally, we show that diffusion coefficients are simply related to residence times via a power law relationship. Through this work, we establish that the local ordering plays a pivotal role in slowing diffusion of ionic solutes.
Download or read book Ionic Liquids Completely UnCOILed written by Natalia V. Plechkova and published by John Wiley & Sons. This book was released on 2015-12-10 with total page 529 pages. Available in PDF, EPUB and Kindle. Book excerpt: Critical overviews from the front line of ionic liquids research Ionic Liquids Completely UnCOILed: Critical Expert Overviews concludes the discussion of new processes and developments in ionic liquid technology introduced in the previously published volumes, Ionic Liquids UnCOILed and Ionic Liquids Further UnCOILed. The goal of this volume is to provide expert overviews that range from applied to theoretical, synthetic to structural, and analytical to toxicological. The value of book lies in the authors’ expertise, and their willingness to share it with the reader. Written by an international group of chemists, the book presents eleven overviews of specific areas of ionic liquid chemistry including: What is an Ionic Liquid? Molecular modelling Crystallography Chemical engineering of ionic liquid processes Toxicology and Biodegradation Organic reaction mechanisms Edited by Professor Ken Seddon and Dr Natalia Plechkova, world leaders in the field of ionic liquids, this book is a must read for R&D chemists, educators, and students, and for commercial developers of environmentally sustainable processes. It offers insight and appreciation for the direction in which the field is going, while also highlighting the best published works available, making it equally valuable to new and experienced chemists alike.
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.
Download or read book Microscopic Structure and Dynamics of Liquids written by J. Dupuy and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: What did we have in mind when in May, 1976, we (Professor de Gennes, Dr. Tourand and ourselves) thought of a Summer School in the field of liquids? First, we wanted to present and discuss the new results that have been obtained recently, in particular at the high flux reactor of the Institut Laue-Langevin in Grenoble since it became operational in 1972. In order to achieve this goal, the major part of this Summer School was devoted to an ex tensive presentation of the gen~ra1 concepts and methods of study ing this state of matter (time-dependent correlation functions, molecular dynamics, intermolecular forces, spectroscopic tech niques ••• ) and concentrated on a few specific systems which have seen significant development in the last few years, both theoret ically and experimentally. These systems are the different classes of simple liquids: metallic liquids, ionic liquids, simple molecu lar liquids and the new field of superionic conductors (solid electrolytes). Furthermore, we wanted to put some emphasis on a particular research area in the field of liquids, namely critical phenomena in fluids. This was chosen both because of our personal interest in this field and the major theoretical advances which have occurred in the last ten years. We also wished that some new powerful techniques or new theo retical approaches be presented at this School. Thus, picosecond laser techniques, theoretical calculations on dipolar fluids, and angular correlations in molecular liquids were the subject of specific seminars.
Download or read book Structure Dynamics and Properties of Silicate Melts written by Jonathan F. Stebbins and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 632 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume 32 of Reviews in Mineralogy introduces the basic concepts of melt physics and relaxation theory as applied to silicate melts, then to describe the current state of experimental and computer simulation techniques for exploring the detailed atomic structure and dynamic processes which occur at high temperature, and finally to consider the relationships between melt structure, thermodynamic properties and rheology within these liquids. These fundamental relations serve to bridge the extrapolation from often highly simplified melt compositions studied in the laboratory to the multicomponent systems found in nature. This volume focuses on the properties of simple model silicate systems, which are usually volatile-free. The behavior of natural magmas has been summarized in a previous Short Course volume (Nicholls and Russell, editors, 1990: Reviews in Mineralogy, Vol. 24), and the effect of volatiles on magmatic properties in yet another (Carroll and Holloway, editors, 1994: Vol. 30). The Mineralogical Society of America sponsored a short course for which this was the text at Stanford University December 9 and 10, 1995, preceding the Fall Meeting of the American Geophysical Union and MSA in San Fransisco, with about 100 professionals and graduate students in attendance.
Download or read book Ionic Liquids written by Alexander Kokorin and published by BoD – Books on Demand. This book was released on 2011-02-21 with total page 690 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the second in the series of publications in this field by this publisher, and contains a number of latest research developments on ionic liquids (ILs). This promising new area has received a lot of attention during the last 20 years. Readers will find 30 chapters collected in 6 sections on recent applications of ILs in polymer sciences, material chemistry, catalysis, nanotechnology, biotechnology and electrochemical applications. The authors of each chapter are scientists and technologists from different countries with strong expertise in their respective fields. You will be able to perceive a trend analysis and examine recent developments in different areas of ILs chemistry and technologies. The book should help in systematization of knowledges in ILs science, creation of new approaches in this field and further promotion of ILs technologies for the future.
Download or read book Production of Biofuels and Chemicals with Ionic Liquids written by Zhen Fang and published by Springer Science & Business Media. This book was released on 2013-10-31 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: The application of ionic liquids to biomass for producing biofuels and chemicals will be one of the hot research areas during the next decade due to the fascinating properties of these versatile group of solvents that allow them to dissolve lignocellulosic materials. The present text provides up-to-date fundamentals, state-of-the-art reviews, current assessments and prospects in this area, including aspects of pretreatment, fermentation, biomass dissolution, cellulose transformation, reaction kinetics and physical properties, as well as the subsequent production of biofuels and platform chemicals such as sugars, aldehydes and acids. Auxiliary methods such as catalysis, microwave and enzymatic techniques used in the transformations are covered. Both researchers and practitioners are certain to find a wealth of information in the individual chapters, which were written by experts in the field to provide an essential basis for assessing possible pretreatment and transformation routes of biomass using ionic liquids, and for developing new methods and chemical processes. Dr. Zhen Fang is Professor of Bioenergy, head of the Chinese Academy of Sciences’ Biomass Group, Xishuangbanna Tropical Botanical Garden and is also an Adjunct Professor of Life Sciences, University of Science and Technology of China. Dr. Richard L Smith, Jr. is Professor of Chemical Engineering at the Graduate School of Environmental Studies, Research Center of Supercritical Fluid Technology, Tohoku University, Japan. Dr. Xinhua Qi is Professor of Environmental Science at Nankai University, China.
Download or read book Computational Spectroscopy written by Jörg Grunenberg and published by John Wiley & Sons. This book was released on 2011-08-24 with total page 421 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Electrochemistry in Ionic Liquids written by Angel A. J. Torriero and published by Springer. This book was released on 2015-07-17 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: This set of two books dedicated to presenting the latest novel and advanced research from around the world in this exciting area. These books highlight the important properties of electrochemistry in ionic liquids – as opposed to the more commonly used aqueous and organic environments – and the many applications. Readers will find 20 chapters gathered in two books: The first volume critically discusses electrode-electrolyte interfacial processes, reference electrodes, ultramicroelectrode voltammetry and scanning electrochemical microscopy, semi-integral and convolution voltammetry, and small-angle X-ray scattering coupled with voltammetry. The structure and properties of protic ionic liquids, deep-eutectic solvents, task-specific ionic liquids, polymeric ion gels, and lithium-ion solvation, useful for electrochemical application is also critically discussed The second volumes major topics covered in this book include electrodeposition and electroless deposition, voltammetry of adhered microparticles, electrochemistry of organic and organometallic compounds, electrocatalytic reactions, oxygen reduction reaction, ionic liquids in surface protection and lubrication, current industrial application of ionic liquids, and challenges, issues and recycling methods of ionic liquids in industrial developments.
Download or read book Grants and Awards for the Fiscal Year Ended written by National Science Foundation (U.S.) and published by . This book was released on 1981 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt:
