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Theoretical And Computational Approaches To Predicting Ionic Liquid Properties, Joseph, Aswathy


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Автор: Joseph, Aswathy
Название:  Theoretical And Computational Approaches To Predicting Ionic Liquid Properties
ISBN: 9780128202807
Издательство: Elsevier Science
Классификация:
ISBN-10: 0128202807
Обложка/Формат: Paperback
Страницы: 200
Вес: 0.39 кг.
Дата издания: 01.11.2020
Язык: English
Размер: 229 x 152 x 16
Ссылка на Издательство: Link
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Поставляется из: Европейский союз
Описание:

Offering an incredible diversity of characteristics and potential applications, ionic liquids have become an important part of numerous fields of science. However, selecting the most appropriate ionic liquid or mixture of ionic liquids for a particular purpose can be challenging. Theoretical Approaches to Predicting Ionic Liquid Properties highlights new approaches to predicting and understanding ionic liquid behaviour 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.

Beginning with an introduction to ionic liquids, theoretical approaches, and the need for integrating theoretical research with experimental data, the book goes on to review a whole range of important approaches and properties. Beginning with a discussion of conformations, electronic structure and non-covalent interactions, it goes on to review 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, Theoretical Approaches to Predicting Ionic Liquid Properties is an indispensable tool for all those involved with the research, development and application of ionic liquids across a vast range of fields.




Ionic liquids: from fundamental properties to practical applications

Название: Ionic liquids: from fundamental properties to practical applications
ISBN: 1782629416 ISBN-13(EAN): 9781782629412
Издательство: Royal Society of Chemistry
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Цена: 35904.00 р.
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Описание: Discusses a range of topics on ionic liquids, such as ionicity, structure, electrochemistry, phase behaviour, and interactions with liquid and solid interfaces.

Ionic Liquid Properties

Автор: Yizhak Marcus
Название: Ionic Liquid Properties
ISBN: 3319303112 ISBN-13(EAN): 9783319303116
Издательство: Springer
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Цена: 16979.00 р.
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Описание:

1. Introduction.- 2. Properties of Ions Constituting the Ionic Liquids.- 3. High Melting Salts.- 4. Network Forming Ionic Liquids.- 5. Low Melting Salts.- 6. Room Temperature Ionic Liquids.


Ionic Liquid Properties: From Molten Salts to Rtils

Автор: Marcus Yizhak
Название: Ionic Liquid Properties: From Molten Salts to Rtils
ISBN: 3319807773 ISBN-13(EAN): 9783319807775
Издательство: Springer
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Цена: 19564.00 р.
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Описание: This volume deals with substances in the liquid state that range from high melting salts, such as calcium fluoride, through slags, such as silicates, down to lower melting salts, such as lithium nitrate, molten hydrated salts, such as magnesium chloride hexahydrate, to room temperature ionic liquids, such as 1,3-dimethylimmidazolium tetraphenylborate. It provides the reader with annotated, critically examined, and compiled data for such materials. The data includes a variety of thermochemical, structural, and transport properties. The book includes correlations of measured properties; these correlations should enable the reader to estimate, on a sound basis, properties for ionic liquids that have not yet been measured.

Ionic Liquid Bulk and Interface Properties

Автор: Till Cremer
Название: Ionic Liquid Bulk and Interface Properties
ISBN: 331903345X ISBN-13(EAN): 9783319033457
Издательство: Springer
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Цена: 14365.00 р.
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Описание: In this thesis, Till Cremer investigates the bulk properties of ionic liquids (IL), the IL/vacuum interface and the IL/solid interface. The author focuses on issues related to thin IL coatings, in particular concerning new catalytic concepts such as the supported ionic liquid phase (SILP) and solid catalyst with ionic liquid layer (SCILL) systems.

Analytical Applications Of Ionic Liquids

Автор: Koel Mihkel
Название: Analytical Applications Of Ionic Liquids
ISBN: 1786340712 ISBN-13(EAN): 9781786340719
Издательство: World Scientific Publishing
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Цена: 25661.00 р.
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Описание: Analytical Applications of Ionic Liquids reviews the current research in analytic chemistry, covering subjects as diverse as separation science, chromatography, spectroscopy and analytical electrochemistry.As scientific developments have moved into the 21st century, they have increasingly had to take into account the effects on the environment, both locally and globally. Ionic liquids promise entirely new methods for solution chemistry which could improve the quality of measurements and eliminate the negative impact of waste on the environment. Because of this, the search for applications of ionic liquids is growing in every area of analytical chemistry. Here, material is presented by specialists, giving a critical overview of the current literature surrounding this increasingly prominent topic. Analysis is carried out on latest achievements and applications, followed by critical discussion of possible future developments.As well as stimulating further research among established analytical chemists, this book can also be used for undergraduate and graduate courses on chemistry and chemical technology.

Dielectric Properties of Ionic Liquids

Автор: Paluch
Название: Dielectric Properties of Ionic Liquids
ISBN: 331932487X ISBN-13(EAN): 9783319324876
Издательство: Springer
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Цена: 15672.00 р.
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Описание: This book discusses the mechanisms of electric conductivity in various ionic liquid systems (protic, aprotic as well as polymerized ionic liquids). It hence covers the electric properties of ionic liquids and their macromolecular counterpanes, some of the most promising materials for the development of safe electrolytes in modern electrochemical energy devices such as batteries, super-capacitors, fuel cells and dye-sensitized solar cells. Chapter contributions by the experts in the field discuss important findings obtained using broadband dielectric spectroscopy (BDS) and other complementary techniques. The book is an excellent introduction for readers who are new to the field of dielectric properties of ionic conductors, and a helpful guide for every scientist who wants to investigate the interplay between molecular structure and dynamics in ionic conductors by means of dielectric spectroscopy.

Dynamics of Glassy, Crystalline and Liquid Ionic Conductors

Автор: Habasaki
Название: Dynamics of Glassy, Crystalline and Liquid Ionic Conductors
ISBN: 3319423894 ISBN-13(EAN): 9783319423890
Издательство: Springer
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Цена: 20962.00 р.
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Описание:

This book discusses the physics of the dynamics of ions in various ionically conducting materials, and applications including electrical energy generation and storage. The experimental techniques for measurements and characterization, molecular dynamics simulations, the theories of ion dynamics, and applications are all addressed by the authors, who are experts in their fields. The experimental techniques of measurement and characterization of dynamics of ions in glassy, crystalline, and liquid ionic conductors are introduced with the dual purpose of introducing the reader to the experimental activities of the field, and preparing the reader to understand the physical quantities derived from experiments. These experimental techniques include calorimetry, conductivity relaxation, nuclear magnetic resonance, light scattering, neutron scattering, and others. Methods of molecular dynamics simulations are introduced to teach the reader to utilize the technique for practical applications to specific problems. The results elucidate the dynamics of ions on some issues that are not accessible by experiments. The properties of ion dynamics in glassy, crystalline and liquid ionic conductors brought forth by experiments and simulations are shown to be universal, i.e. independent of physical and chemical structure of the ionic conductor as long as ion-ion interaction is the dominant factor. Moreover these universal properties of ion dynamics are shown to be isomorphic to other complex interacting systems including the large class of glass-forming materials with or without ionic conductivity.
By covering the basic concepts, theories/models, experimental techniques and data, molecular dynamics simulations, and relating them together, Dynamics of Glassy, Crystalline and Liquid Ionic Conductors will be of great interest to many in basic and applied research areas from the broad and diverse communities of condensed matter physicists, chemists, materials scientists and engineers. The book also provides the fundamentals for an introduction to the field and it is written in such a way that can be used for teaching courses either at the undergraduate or graduate level in academic institutions.
Computational Approaches To Protein

Автор: Fuxreiter
Название: Computational Approaches To Protein
ISBN: 1466561572 ISBN-13(EAN): 9781466561571
Издательство: Taylor&Francis
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Цена: 31390.00 р.
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Описание:

The Latest Developments on the Role of Dynamics in Protein Functions

Computational Approaches to Protein Dynamics: From Quantum to Coarse-Grained Methods presents modern biomolecular computational techniques that address protein flexibility/dynamics at all levels of theory. An international contingent of leading researchers in chemistry, physics, and biology show how these advanced methods provide insights into dynamic aspects of biochemical processes. A particular focus is on intrinsically disordered proteins (IDPs), which lack a well-defined three-dimensional structure and function as dynamic ensembles.

The book covers a wide spectrum of dynamics, from electronic structure-based to coarse-grained techniques via multiscaling at different levels. After an introduction to dynamics and historical overview of basic methodologies, the book addresses the following issues:

  • Is there a quantitative relationship between enzymatic catalysis and protein dynamics?
  • Which are the functionally relevant motions of proteins?
  • How can structural properties and partner recognition mechanisms of IDPs be simulated?
  • How can we speed up molecular dynamics?
  • How can we describe conformational ensembles by the synergistic effort of computations and experiments?

While dynamics is now considered essential for interpreting protein action, it is not yet an integral component in establishing structure-function relationships of proteins. Helping to reshape this classical view in biochemistry, this groundbreaking book explores advances in computational methodology and contributes to the new, ensemble way of studying proteins.

Theoretical and Computational Approaches to Interface Phenomena

Автор: J.T. Golab; H.L. Sellers
Название: Theoretical and Computational Approaches to Interface Phenomena
ISBN: 1489913211 ISBN-13(EAN): 9781489913210
Издательство: Springer
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Цена: 13974.00 р.
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Описание: Our conference titled "Theoretical and Computational Approaches to Interface Phenomena" held at South Dakota State University, August 2-4, 1993 brought together over thirty scientists from industry and academia and three countries in the western hemisphere to discuss the modeling of interfacial phenomena.

Theoretical and Computational Approaches to Interface Phenomena

Автор: J.T. Golab; H.L. Sellers
Название: Theoretical and Computational Approaches to Interface Phenomena
ISBN: 0306448998 ISBN-13(EAN): 9780306448997
Издательство: Springer
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Цена: 23757.00 р.
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Описание: Our conference titled "Theoretical and Computational Approaches to Interface Phenomena" held at South Dakota State University, August 2-4, 1993 brought together over thirty scientists from industry and academia and three countries in the western hemisphere to discuss the modeling of interfacial phenomena.

Predicting the Lineage Choice of Hematopoietic Stem Cells

Автор: Manuel Kroiss
Название: Predicting the Lineage Choice of Hematopoietic Stem Cells
ISBN: 365812878X ISBN-13(EAN): 9783658128784
Издательство: Springer
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Цена: 9141.00 р.
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Описание: Manuel Kroiss examines the differentiation of hematopoietic stem cells using machine learning methods. With his method, Manuel Kroiss considerably outperforms standard machine learning methods without time information like Random Forests and Support Vector Machines.

Ionic Liquid Bulk and Interface Properties

Автор: Till Cremer
Название: Ionic Liquid Bulk and Interface Properties
ISBN: 3319003798 ISBN-13(EAN): 9783319003795
Издательство: Springer
Рейтинг:
Цена: 19564.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: In this thesis, Till Cremer investigates the bulk properties of ionic liquids (IL), the IL/vacuum interface and the IL/solid interface. The author focuses on issues related to thin IL coatings, in particular concerning new catalytic concepts such as the supported ionic liquid phase (SILP) and solid catalyst with ionic liquid layer (SCILL) systems.


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