Littérature scientifique sur le sujet « Ionic-Molecular systems »
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Articles de revues sur le sujet "Ionic-Molecular systems"
Gizatullin, Bulat, Carlos Mattea et Siegfried Stapf. « Molecular Dynamics in Ionic Liquid/Radical Systems ». Journal of Physical Chemistry B 125, no 18 (30 avril 2021) : 4850–62. http://dx.doi.org/10.1021/acs.jpcb.1c02118.
Texte intégralBacchus-Montabonel, Marie-Christine. « Charge Transfer in Ionic and Molecular Systems ». International Journal of Molecular Sciences 3, no 3 (28 mars 2002) : 114. http://dx.doi.org/10.3390/i3030114.
Texte intégralAngell, C. A., L. E. Busse, E. I. Cooper, R. K. Kadi Yala, A. Dworkin, M. Ghelfenstein, H. Szwarc et A. Vassal. « Glasses and glassy crystals from molecular and molecular ionic systems ». Journal de Chimie Physique 82 (1985) : 267–74. http://dx.doi.org/10.1051/jcp/1985820267.
Texte intégralSeitkalieva, Marina M., Vadim V. Kachala, Ksenia S. Egorova et Valentine P. Ananikov. « Molecular Extraction of Peptides in Ionic Liquid Systems ». ACS Sustainable Chemistry & ; Engineering 3, no 2 (26 décembre 2014) : 357–64. http://dx.doi.org/10.1021/sc500770v.
Texte intégralSoutullo, Morgan D., Richard A. O’Brien, Kyle E. Gaines et James H. Davis. « Constitutional dynamic systems of ionic and molecular liquids ». Chemical Communications, no 18 (2009) : 2529. http://dx.doi.org/10.1039/b901899a.
Texte intégralChacón, Gustavo, Jérôme Durand, Isabelle Favier, Emmanuelle Teuma et Montserrat Gomez. « Ionic liquids in catalysis : molecular and nanometric metal systems ». French-Ukrainian Journal of Chemistry 4, no 1 (2016) : 23–36. http://dx.doi.org/10.17721/fujcv4i1p23-36.
Texte intégralSalanne, Mathieu, Dario Marrocchelli, Céline Merlet, Norikazu Ohtori et Paul A. Madden. « Thermal conductivity of ionic systems from equilibrium molecular dynamics ». Journal of Physics : Condensed Matter 23, no 10 (18 février 2011) : 102101. http://dx.doi.org/10.1088/0953-8984/23/10/102101.
Texte intégralWojnarowska, Zaneta, Krzysztof J. Paluch, Evgeni Shoifet, Christoph Schick, Lidia Tajber, Justyna Knapik, Patryk Wlodarczyk et al. « Molecular Origin of Enhanced Proton Conductivity in Anhydrous Ionic Systems ». Journal of the American Chemical Society 137, no 3 (20 janvier 2015) : 1157–64. http://dx.doi.org/10.1021/ja5103458.
Texte intégralNakano, Masayoshi, Kotaro Fukuda, Soichi Ito, Hiroshi Matsui, Takanori Nagami, Shota Takamuku, Yasutaka Kitagawa et Benoît Champagne. « Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems ». Journal of Physical Chemistry A 121, no 4 (20 janvier 2017) : 861–73. http://dx.doi.org/10.1021/acs.jpca.6b11647.
Texte intégralKolafa, Jiří. « Pressure in Molecular Simulations with Scaled Charges. 1. Ionic Systems ». Journal of Physical Chemistry B 124, no 34 (31 juillet 2020) : 7379–90. http://dx.doi.org/10.1021/acs.jpcb.0c02641.
Texte intégralThèses sur le sujet "Ionic-Molecular systems"
Tangney, Paul. « Improving molecular-dynamics simulations of simple ionic systems ». Doctoral thesis, SISSA, 2002. http://hdl.handle.net/20.500.11767/3940.
Texte intégralMartinez, N. C. Forero. « Molecular models for protic ionic liquids and related systems ». Thesis, Queen's University Belfast, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.557414.
Texte intégralReid, Joshua Elias Samuel James. « Molecular thermodynamics and solvation behaviour of protic ionic liquid systems ». Thesis, University of York, 2017. http://etheses.whiterose.ac.uk/18697/.
Texte intégralGuo, Zhenrong. « Characterization of ionic, dipolar and molecular mobility in polymer systems ». W&M ScholarWorks, 2005. https://scholarworks.wm.edu/etd/1539623474.
Texte intégralMcDonald, Anthony Michael. « Molecular dynamics simulation of ionic systems with large numbers of particles ». Thesis, Keele University, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.315233.
Texte intégralCarvalho, Sara Ferreira. « Aqueous biphasic systems composed of ionic liquids and polysaccharides ». Master's thesis, Universidade de Aveiro, 2013. http://hdl.handle.net/10773/12600.
Texte intégralAiming at finding more biocompatible and environmentally-benign separation processes, aqueous biphasic systems composed of ionic liquids can be envisaged as an alternative and advantageous approach for the extraction and purification of the most diverse biomolecules. In this work, the main goal consisted on the study of the ability of polysaccharides, as a benign alternative over inorganic salts typically used, to form aqueous biphasic systems with ionic liquids. To this aim, the phase diagrams and respective compositions of the two phases in equilibrium for ternary systems consisting of several ionic liquids, water, and polysaccharides were determined at 298 K. By the combination of different families of ionic liquids, achieved by a representative variety of cations and anions, with dextrans and maltodextrins, it was possible to infer on the effect of the IL structural characteristics, as well as on the polysaccharides molecular weight through the formation ability of aqueous two-phase systems. Finally, and to ascertain on the potential application of these new systems such as extraction techniques, some of them were also used and evaluated regarding their aptitude to extract amino acids. The use of polysaccharides, namely dextran and maltodextrin, as salting-out molecules to form aqueous biphasic systems with ionic liquids was the main focus of this work. It was demonstrated here, for the first time, that a new class of aqueous biphasic systems composed of ionic liquids and polysaccharides can be formed while contributing to the development of more efficient and sustainable separation and purification techniques. These systems can be also seen as promising routes in the improvement of biotechnological processes which increasingly tend to be decisive in industry.
No âmbito da procura de processos de separação mais biocompatíveis e amigos do ambiente, os sistemas aquosos bifásicos com líquidos iónicos constituem uma abordagem alternativa e vantajosa para a extração e purificação das mais diversas biomoléculas. Neste trabalho pretendeu-se estudar especificamente a capacidade de polissacarídeos, como uma alternativa mais benigna face aos sais normalmente utilizados, para formar sistemas aquosos bifásicos com líquidos iónicos. Para tal, determinaram-se os diagramas de fase e composições das duas fases em equilíbrio para diversos sistemas ternários formados por líquidos iónicos, água e polissacarídeos a 298 K. O estudo destes novos sistemas, combinando diferentes famílias de líquidos iónicos representados por uma variedade alargada de catiões e aniões, com dextranas e maltodextrinas, permitiu avaliar o efeito das características estruturais dos líquidos iónicos, bem como da massa molecular dos polissacarídeos, na capacidade de formação de sistemas de duas fases aquosas. Por fim, e para suportar a sua aplicação como novas técnicas de extração, alguns destes sistemas foram também avaliados no que respeita à sua capacidade para extrair aminoácidos. A utilização de polissacarídeos, nomeadamente de dextrano e maltodextrina, enquanto moléculas indutoras de salting-out para formar sistemas aquosos bifásicos com líquidos iónicos, constituiu o foco principal deste trabalho. Pela primeira vez foi mostrado que existe uma nova classe de sistemas aquosos bifásicos constituídos por líquidos iónicos e polissacarídeos contribuindo assim para o desenvolvimento de técnicas de separação e purificação de uma forma mais eficiente, sustentável e ecológica. Estes sistemas poderão ainda ser vistos como vias promissoras no melhoramento de processos biotecnológicos que tendem a ser cada vez mais decisivos na indústria.
Zhang, Fei. « Adsorption of Small Molecules in Advanced Material Systems ». Diss., Virginia Tech, 2019. http://hdl.handle.net/10919/89917.
Texte intégralDoctor of Philosophy
Adsorption is a ubiquitous phenomenon that plays key roles in numerous applications including molecule separation, energy storage, catalysis, and lubrications. Since adsorption is sensitive to molecular details of adsorbate molecule and adsorbent materials, it is often difficult to describe theoretically. Molecular modeling capable of resolving physical processes at atomistic scales is an effective method for studying adsorption. In this dissertation, the adsorption of small molecules in three emerging materials systems: porous liquids, room-temperature ionic liquids, and atomically sharp electrodes immersed in aqueous electrolytes, are investigated to understand the physics of adsorption as well as to help design and optimize these materials systems. Thermodynamics and kinetics of gas storage in the recently synthesized porous liquids (crown-ether-substituted cage molecules dispersed in an organic solvent) were studied. Gas molecules were found to store differently in cage molecules with gas storage capacity per cage in the following order: CO2>CH4>N2. The cage molecules show selectivity of CO2 over CH4/N2 and demonstrate capability in gas separation. These studies suggest that porous liquids can be useful for CO2 capture from power plants and CH4 separation from shale gas. The effect of adsorbed water on the three-dimensional structure of ionic liquids [BMIM][Tf2N] near mica surfaces was investigated. It was shown that water, as a dielectric solvent and a molecular liquid, can alter layering and ordering of ions near mica surfaces. vi A three-way coupling between the self-organization of ions, the adsorption of interfacial water, and the electrification of the solid surfaces was suggested to govern the structure of ionic liquid near solid surfaces. The effects of electrode charge and surface curvature on adsorption of N2 molecules near electrodes immersed in water were studied. N2 molecules are enriched near neutral electrodes. Their enrichment is enhanced as the electrode becomes moderately charged but is reduced when the electrode becomes highly charged. Near highly charged electrodes, the amount of N2 molecules available for electrochemical reduction is an order of magnitude higher near spherical electrodes with radius ~1nm than near planar electrodes. The underlying molecular mechanisms are elucidated and their implications for development of electrodes for electrochemical reduction of N2 are discussed.
Dudariev, Dmytro. « Compétition entre la solvatation et l'agrégation ionique dans des systèmes ioniques-solvant : influence sur les propriétés de transport ». Electronic Thesis or Diss., Université de Lille (2022-....), 2023. http://www.theses.fr/2023ULILR009.
Texte intégralThe objective of this thesis is to analyze the microscopic structure of the series ion-molecular systems that widely used for practical electrochemistry and to characterize the effect of the ion aggregation on the transport properties of these systems. By using molecular dynamics simulation, the following systems were investigated: (i) the solutions of LiPF6 in dimethyl carbonate / ethylene carbonate mixture (1:1), (ii) the solutions of SBPBF4 in acetonitrile, and (iii) the mixtures of room-temperature ionic liquids (ILs) C4mimX (X= BF4-, PF6-, TFO-, TFSI-) with dipolar aprotic solvents such as acetonitrile, γ-butyrolactone and propylene carbonate.For all the systems the aggregate analysis showed the formation of the ionic continuous network with the increase of electrolyte concentration. This affects significantly diffusivity and viscosity in these solutions.Voronoi polyhedra analysis of ILs-solvent mixtures showed that below the IL mole fraction of about 0.2, the ions are well solvated by the solvent molecules, but above this mole fraction they start to form contact pairs, while the solvent molecules, expelled from the vicinity of the ions, self-associates
Wilson, Mark. « Many-body effects in ionic systems ». Thesis, University of Oxford, 1994. http://ora.ox.ac.uk/objects/uuid:3c66daa2-5318-40d2-a445-15296d598a57.
Texte intégralTu, Kai-Ming. « Spatial-Decomposition Analysis of Electrical Conductivity in Concentrated Ionic Systems ». 京都大学 (Kyoto University), 2015. http://hdl.handle.net/2433/199125.
Texte intégralLivres sur le sujet "Ionic-Molecular systems"
A, Lund, et Shiotani M. 1940-, dir. Radical ionic systems : Properties in condensed phases. Dordrecht : Kluwer Academic Publishers, 1991.
Trouver le texte intégralRadical Ionic Systems : Properties in Condensed Phases (Topics in Molecular Organization and Engineering). Springer, 1990.
Trouver le texte intégral(Editor), Christopher S. Brazel, et Robin D. Rogers (Editor), dir. Ionic Liquids in Polymer Systems : Solvents, Additives, and Novel Applications (Acs Symposium Series). An American Chemical Society Publication, 2005.
Trouver le texte intégralLund, Anders, et Masaru Shiotani. Radical Ionic Systems : Properties in Condensed Phases. Springer, 2012.
Trouver le texte intégralDubin, Dale. Ion Adventure in the Heartland : Exploring the Heart's Ionic-Molecular Microcosm. Cover Publishing Company, 2003.
Trouver le texte intégralChapitres de livres sur le sujet "Ionic-Molecular systems"
Kricka, L. J. « Molecular and ionic recognition by biological systems ». Dans Chemical Sensors, 3–14. Dordrecht : Springer Netherlands, 1988. http://dx.doi.org/10.1007/978-94-010-9154-1_1.
Texte intégralZnamenski, V. S., I. N. Pavlenko et P. F. Zilberman. « The Molecular Dynamics Simulation of Contact Melting : Four-Component Ionic Systems ». Dans Computer Modelling of Electronic and Atomic Processes in Solids, 143–48. Dordrecht : Springer Netherlands, 1997. http://dx.doi.org/10.1007/978-94-011-5662-2_15.
Texte intégralVergadou, Niki, Eleni Androulaki et Ioannis G. Economou. « Molecular Simulation Methods for CO2Capture and Gas Separation with Emphasis on Ionic Liquids ». Dans Process Systems and Materials for CO2Capture, 79–111. Chichester, UK : John Wiley & Sons, Ltd, 2017. http://dx.doi.org/10.1002/9781119106418.ch3.
Texte intégralDavydov, A. S. « Three-Dimensional Solitons (Polarons) In Ionic Crystals ». Dans Solitons in Molecular Systems, 341–57. Dordrecht : Springer Netherlands, 1991. http://dx.doi.org/10.1007/978-94-011-3340-1_14.
Texte intégralDavydov, A. S. « Three-Dimensional Solitons (Polarons) in Ionic Crystals ». Dans Solitons in Molecular Systems, 242–59. Dordrecht : Springer Netherlands, 1985. http://dx.doi.org/10.1007/978-94-017-3025-9_13.
Texte intégralTheveneau, Hélène. « Nuclear Magnetic Relaxation in Ionic Conductor Materials ». Dans Structure and Dynamics of Molecular Systems, 231–54. Dordrecht : Springer Netherlands, 1986. http://dx.doi.org/10.1007/978-94-009-4662-0_12.
Texte intégralBarrantes, Francisco J. « Correlation of the Molecular Structure with Functional Properties of the Acetylcholine Receptor Protein ». Dans Ionic Channels in Cells and Model Systems, 385–400. Boston, MA : Springer US, 1986. http://dx.doi.org/10.1007/978-1-4684-5077-4_25.
Texte intégralPi, Z., S. Jacob et J. P. Kennedy. « Cationic Polymerizations at Elevated Temperatures by Novel Initiating Systems Having Weakly Coordinating Counteranions. 1. High Molecular Weight Polyisobutylenes ». Dans Ionic Polymerizations and Related Processes, 1–12. Dordrecht : Springer Netherlands, 1999. http://dx.doi.org/10.1007/978-94-011-4627-2_1.
Texte intégralOhkubo, T., T. Tahara, K. Takahashi et Y. Iwadate. « Ionic Conductivity and Molecular Structure of a Molten xZnBr2-(1−x)ABr (A = Li, Na, K) System ». Dans Molten Salts Chemistry and Technology, 149–57. Chichester, UK : John Wiley & Sons, Ltd, 2014. http://dx.doi.org/10.1002/9781118448847.ch3a.
Texte intégralGarza, Jorge, Carl A. Fahlstrom, Rubicelia Vargas, Jeffrey A. Nichols et David A. Dixon. « ORBITALS FROM MOLECULAR ORBITAL AND DENSITY FUNCTIONAL THEORIES FOR IONIC SYSTEMS ». Dans Reviews of Modern Quantum Chemistry, 1508–36. WORLD SCIENTIFIC, 2002. http://dx.doi.org/10.1142/9789812775702_0050.
Texte intégralActes de conférences sur le sujet "Ionic-Molecular systems"
Szwalek, Jamison L., Ryan C. Sun Chee Fore, Kihyun Kim et Ana I. Sirviente. « Mechanical Degradation Effects on Turbulent Flows With Macro-Molecular Polymer Structures ». Dans ASME 2004 Heat Transfer/Fluids Engineering Summer Conference. ASMEDC, 2004. http://dx.doi.org/10.1115/ht-fed2004-56432.
Texte intégralKohanoff, Jorge, Emilio Artacho, Károly Tokési et Béla Sulik. « First-principles molecular dynamics simulations of the interaction of ionic projectiles with liquid water and ice ». Dans RADIATION DAMAGE IN BIOMOLECULAR SYSTEMS : Proceedings of the 5th International Conference (RADAM 2008). AIP, 2008. http://dx.doi.org/10.1063/1.3058991.
Texte intégralPiccoli, Vinicius, et Leandro Martínez. « Solvation of different folding states of ubiquitin by EMIMDCA : a study using minimum distance distribution functions ». Dans VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202043.
Texte intégralBello, Ayomikun, Alexander Rodionov, Anastasia Ivanova et Alexey Cheremisin. « Experimental Investigation and Molecular Dynamics of the Fluid-Fluid Interactions Between Binary Surfactant Systems for EOR ». Dans GOTECH. SPE, 2024. http://dx.doi.org/10.2118/219237-ms.
Texte intégralSierra, Alfonso, Hope Scott, Darwin Pray, Zachary Polus et Patricia Iglesias. « Effects of Surface Finish and Molecular Structure on the Lubricating Ability of Borate-Based Protic Ionic Liquids ». Dans ASME 2022 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2022. http://dx.doi.org/10.1115/imece2022-95163.
Texte intégralDoi, Kentaro, et Satoyuki Kawano. « Theoretical Development of Predicted Iteration Method for Considering Electron Dynamics in Quantum Molecular Dynamics ». Dans ASME-JSME-KSME 2011 Joint Fluids Engineering Conference. ASMEDC, 2011. http://dx.doi.org/10.1115/ajk2011-36033.
Texte intégralZhang, Ning, Cong Chen, Yujing Feng, Qingnan Pang et Weizhong Li. « Molecular Dynamics Simulation of the Hydrogen Bonding Structure of Water Molecules Inside Carbon Nanotube ». Dans ASME 2013 11th International Conference on Nanochannels, Microchannels, and Minichannels. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/icnmm2013-73032.
Texte intégralChen, Z., J. M. MacInnes, B. O’Sullivan et P. Zhou. « Design and Performance of a Folding Flow Network Micromixer ». Dans ASME 2008 International Mechanical Engineering Congress and Exposition. ASMEDC, 2008. http://dx.doi.org/10.1115/imece2008-68914.
Texte intégralFreeman, Eric C., Michael K. Philen et Donald J. Leo. « Combined Modeling of Bilayer Networks for Sensing Applications ». Dans ASME 2012 Conference on Smart Materials, Adaptive Structures and Intelligent Systems. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/smasis2012-8115.
Texte intégralAlghunaim, Etaf, Ozan Uzun, Hossein Kazemi et J. Frederick Sarg. « Cost-Effective Chemical EOR for Heterogenous Carbonate Reservoirs Using a Ketone-Surfactant System ». Dans SPE Annual Technical Conference and Exhibition. SPE, 2021. http://dx.doi.org/10.2118/205910-ms.
Texte intégralRapports d'organisations sur le sujet "Ionic-Molecular systems"
Chefetz, Benny, Baoshan Xing, Leor Eshed-Williams, Tamara Polubesova et Jason Unrine. DOM affected behavior of manufactured nanoparticles in soil-plant system. United States Department of Agriculture, janvier 2016. http://dx.doi.org/10.32747/2016.7604286.bard.
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