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IONIC LIQUIDS - NEW
ASPECTS FOR THE
FUTURE
Edited by Jun-ichi Kadokawa
Ionic Liquids - New Aspects for the Future
http://dx.doi.org/10.5772/45605
Edited by Jun-ichi Kadokawa
Contributors
Anna Martinelli, Jun-ichi Kadokawa, Tateki Ishida, Fatemeh Moosavi, Elaheh Kowsari, Clarissa Piccinin Frizzo, Dayse N.
Moreira, Marcos Antonio Pinto Martins, Izabelle Gindri, Aniele Tier, Lilian Buriol, Madhulata Shukla, Satyen Saha,
Hisashi Miyafuji, Yinghuai Zhu, Narayan Hosmane, Hidetaka Noritomi, Chuan-Pei Lee, Te-Chun Chu, Ling-Yu Chang,
Jiang-Jen Lin, Kuo-Chuan Ho, Ana P.M. Tavares, Oscar Rodriguez, Eugénia A. Macedo, Nicholas Gathergood,
Rohitkumar G. Gore, Jefferson Trindade Filho, Guilherme Caleffi, Toshiro Kaneko, Rikizo Hatakeyama, Shinya Sasaki,
Yuriko Kondo, Takahiro Koyama, Takaya Sato, Takashi Morinaga, Takeo Ishizuka, Changwei Hu, Liangfang Zhu, Mihai
Putz, Ana-Maria Putz (n. Lacrama), Pedro Mancini, María N. Kneeteman, Claudia D. Della Rosa, Carla Ormachea, Adam
McCluskey, Ahmed Al Otaibi, Susumu Kuwabata, Iuliana Cota, Rafael Gonzalez-Olmos, Miguel Iglesias, Francesc
Medina, Vicky Lange, Pete Licence, Barry Azzopardi, Ana P. C. Ribeiro, Carlos Nieto De Castro, Salomé I.C. Vieira, Maria
J.V. Lourenço, Fernando J. V. Santos, Sohel S.M. Murshed, Peter Goodrich, Christopher Hardacre, João M. França
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First published February, 2013
Printed in Croatia
A free online edition of this book is available at www.intechopen.com
Additional hard copies can be obtained from orders@intechopen.com
Ionic Liquids - New Aspects for the Future, Edited by Jun-ichi Kadokawa
p. cm.
ISBN 978-953-51-0937-2
free online editions of InTech
Books and Journals can be found at
www.intechopen.com
Contents
Preface IX
Section 1 Fundamental Properties 1
Chapter 1 The Dynamical Properties on Ionic Liquids: Insights from
Molecular Dynamics Study 3
Tateki Ishida
Chapter 2 Modeling of Ionic Liquid Systems: Phase Equilibria and Physical
Properties 31
Filipa M. Maia, Noelia Calvar, Emilio J. González, Aristides P.
Carneiro, Oscar Rodriguez and Eugénia A. Macedo
Chapter 3 A Comparative Study of Piperidinium and Imidazolium Based
Ionic Liquids: Thermal, Spectroscopic and
Theoretical Studies 61
Madhulata Shukla and Satyen Saha
Chapter 4 Spectral-Structure Activity Relationship (Spectral-SAR)
Assessment of Ionic Liquids’ in Silico Ecotoxicity 85
Ana-Maria Putz and Mihai V. Putz
Chapter 5 Tribological Properties of Ionic Liquids 127
Yuriko Kondo, Tahahiro Koyama and Shinya Sasaki
Chapter 6 Hydrodynamics of Ionic Liquids in Bubble Columns 143
Vicky Lange, Barry J. Azzopardi and Pete Licence
Chapter 7 Synthesis, Properties and Physical Applications of
IoNanofluids 165
Carlos Nieto de Castro, Ana P. C. Ribeiro, Salomé I.C. Vieira, João M.
P. França, Maria J.V. Lourenço, Fernando V. Santos, Sohel M.S
Murshed, Peter Goodrich and Christopher Hardacre
Chapter 8 The Structure of Supported Ionic Liquids at the Interface 195
Fatemeh Moosavi
Section 2 Energies, Fuels, and Biomass Conversions 231
Chapter 9 Ionic Liquids for Green Energy Applications - Local Structure
and Dynamics by Advanced Spectroscopic Techniques 233
Anna Martinelli
Chapter 10 Solid-State Ionic Liquid Based Electrolytes for Dye-Sensitized
Solar Cells 257
Chuan-Pei Lee, Te-Chun Chu, Ling-Yu Chang, Jiang-Jen Lin and
Kuo-Chuan Ho
Chapter 11 Recent Advances in the Science and Technology of
Desulfurization of Diesel Fuel Using Ionic Liquids 277
Elaheh Kowsari
Chapter 12 Liquefaction of Wood by Ionic Liquid Treatment 299
Hisashi Miyafuji
Chapter 13 Applications of Ionic Liquids in Lignin Chemistry 315
Zhu Yinghuai, Karen Tang Yuanting and Narayan S. Hosmane
Section 3 Organic Reactions and Biological Applications 347
Chapter 14 Ionic Liquids: “Green” Solvent for Catalytic Oxidations with
Hydrogen Peroxide 349
Liangfang Zhu and Changwei Hu
Chapter 15 New Brønsted Ionic Liquids: Synthesis, Thermodinamics and
Catalytic Activity in Aldol Condensation Reactions 365
I. Cota, R. Gonzalez-Olmos, M. Iglesias and F. Medina
Chapter 16 Protic and Nonprotic Ionic Liquids in Polar Diels-Alder
Reactions Using Properly Substituted Heterocycles and
Carbocycles as Dienophiles. A DFT study 391
Pedro M. E. Mancini, Carla M. Ormachea, Claudia D. Della Rosa,
María N. Kneeteman and Luis R. Domingo
ContentsVI
Chapter 17 Ionic Liquids as Doping Agents in Microwave Assisted
Reactions 433
Marcos A. P. Martins, Jefferson Trindade Filho, Guilherme S. Caleffi,
Lilian Buriol and Clarissa P. Frizzo
Chapter 18 Multicomponent Reactions in Ionic Liquids 457
Ahmed Al Otaibi and Adam McCluskey
Chapter 19 Safer and Greener Catalysts – Design of High Performance,
Biodegradable and Low Toxicity Ionic Liquids 499
Rohitkumar G. Gore and Nicholas Gathergood
Chapter 20 New Generations of Ionic Liquids Applied to Enzymatic
Biocatalysis 537
Ana P.M. Tavares, Oscar Rodríguez and Eugénia A. Macedo
Chapter 21 Pharmaceutical Salts: Solids to Liquids by Using Ionic
Liquid Design 557
Clarissa P. Frizzo, Izabelle M. Gindri, Aniele Z. Tier, Lilian Buriol,
Dayse N. Moreira and Marcos A. P. Martins
Chapter 22 Increase in Thermal Stability of Proteins by Aprotic
Ionic Liquids 581
Hidetaka Noritomi
Section 4 Materials and Processing 595
Chapter 23 Use of Ionic Liquid Under Vacuum Conditions 597
Susumu Kuwabata, Tsukasa Torimoto, Akihito Imanishi and Tetsuya
Tsuda
Chapter 24 Plasma Process on Ionic Liquid Substrate for Morphology
Controlled Nanoparticles 617
Toshiro Kaneko, Shohei Takahashi and Rikizo Hatakeyama
Chapter 25 Ionic-Liquid-Assisted Synthesis of Hierarchical Ceramic
Nanomaterials as Nanofillers for Electromagnetic-Absorbing
Coatings 633
Elaheh Kowsari
Contents VII
Chapter 26 Ionic Liquids as Components in Fluorescent Functional
Materials 653
Jun-ichi Kadokawa
Chapter 27 Preparation, Physicochemical Properties and Battery
Applications of a Novel Poly(Ionic Liquid) 673
Takaya Sato, Takashi Morinaga and Takeo Ishizuka
ContentsVIII
Preface
Concerns with ionic liquids are one of the most interesting and rapidly developing areas in
modern physical chemistry, materials science, technologies, and engineering. Increasing
attention has also been paid to the use of ionic liquids in the research fields of biological
aspects and natural resources. This book provides the forum for dissemination and
exchange of up-to-date scientific information on theoretical, generic, and applied areas of
ionic liquids. It, therefore, tends to review recent progresses in ionic liquid research on
fundamental properties, solvents and catalysts in organic reactions, biological applications,
providing energies and fuels, biomass conversions, functional materials, and other
applications. I trust that this book will provide an active source of information for research
in ionic liquid science and engineering.
Prof. Dr. Jun-ichi Kadokawa
Kagoshima University
Kagoshima, Japan
[...]... characteristics of the VACF profile, it is noted that the minima of the VACF are locat ed at the positions later than those of the maxima of the velocity cross-correlation func tions for the first coordination shell These features imply that the momentum transmitted to the neighbors at the first shell is regained partly by the central cation or anion, bounc 15 16 Ionic Liquids - New Aspects for the Future ing... C and A in super- and subscript in the above equation, we can easily derive the formulation for the cross-correlation between a centered anion and other cations Also, with the computation of the cross-correlation functions between the velocity of a cen tral ion and velocities of neighboring distinct ions, we can analyze the momentum transfer 9 10 Ionic Liquids - New Aspects for the Future between distinct... Figure 3 ((a) and (b)), the variation of cross-correlation function corre lates with the alteration of the VACF In particular, the cross-correlation function shows the increasing toward the maximum peak where the VACF approaches a minimum point 7 8 Ionic Liquids - New Aspects for the Future These features indicate that it is possible for us to track the time evolution of cross-corre lations (between... enhanced These are consistent with the consideration that the cation-anion 19 20 Ionic Liquids - New Aspects for the Future interactions promote the propagation of the momentum one after another, as mentioned in the cation case In addition, Figure 9 shows more interesting features Compared with the results for the central cation in Figure 8, while the P1 AA(t) does not contribute negligi bly to the total... of the system strongly correlates with the cation-anion cross-correlation, and it is emphasized that tracking cross-correlation terms is very important On the other hand, cor 21 22 Ionic Liquids - New Aspects for the Future responding to this result, the time derivative of the polarizability TCF shows long-decay fea ture extending up to the nanosecond times, as seen in Figure 10(b) Considering that the. .. model On the other hand, an interesting feature is seen in the C1(t) between distinct cations (or the C2(t) for distinct anions) As indicated in Figures 4 and 5, the cross-correlation function for distinct ions reaches the maximum point earlier than the C1(t) for the cation-anion cross-cor relation, even though the peak height is smaller than that in the cation-anion cross-correla tion function On these... governed by the longitudinal function, Cn L(t) Figure 6 Schematic explanation of the longitudinal (L) and nonlongitudinal (NL) of a cross-correlation function These results clearly indicate that the Coulomb interactions between neighboring ions are mainly effective on the ionic motions as driving forces at the short time In addition, the 17 18 Ionic Liquids - New Aspects for the Future magnitude of the longitudinal... ishida@ims.ac.jp 25 26 Ionic Liquids - New Aspects for the Future Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Japan References [1] Wasserscheid, P., & Welton, T (2008) Ionic Liquids in Synthesis, Weinheim, WileyVCH [2] Wasserscheid, P., & Keim, W (2000) Ionic liquids- New "solutions" for transition metal catalysis Angew Chem., Int Ed., 39, 377 3-3 789 [3] Castner,... MSD, while the longtime maximum is located at around the center of the crossover regime of the MSD On the other hand, for the anion, [NTf2], (t) has a double peak structure similar to that of the cation In particular, the long-time maximum peak is slightly shifted to about 300 ps, while the short-time maximum is locacted at the almost same time region as the cation The time regime where the long-time maximum... it should be noticed that the diffusive regime (linear 23 24 Ionic Liquids - New Aspects for the Future time-dependence region) after about 10 ns in Figure 12 coincides with the diffusive region in Figure 11 (after about 16 ns) for both the cation and the anion In particular, the shadowed area in Figure 12 covers the time range of the full width at half maximum (FWHM) of the second peak of (t) As pointed . IONIC LIQUIDS - NEW
ASPECTS FOR THE
FUTURE
Edited by Jun-ichi Kadokawa
Ionic Liquids - New Aspects for the Future
http://dx.doi.org/10.5772/45605
Edited. from orders@intechopen.com
Ionic Liquids - New Aspects for the Future, Edited by Jun-ichi Kadokawa
p. cm.
ISBN 97 8-9 5 3-5 1-0 93 7-2
free online editions of
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