Bibliografias temáticas / Solvations

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Literatura científica selecionada sobre o tema "Solvations"

Autor: Grafiati

Publicado: 25 de julho de 2024

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Artigos de revistas sobre o assunto "Solvations"

Kazbekovna Kuizheva, Saida, Ludmila Grigorievna Matveeva, Tatiana Anatolievna Ovsyannikova, Vladimir Ivanovich Zarubin e Anastasiy Valerievna Kaplina. "Circular business paradigm in innovative solvations of industrial ecosystems of regions". Nexo Revista Científica 35, n.º 01 (5 de abril de 2022): 199–211. http://dx.doi.org/10.5377/nexo.v35i01.13931.

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In the conditions of the continuing crisis, determined both by external sanctions against Russia from several Western states, and the ongoing coronavirus pandemic, it is the industrial ecosystems of the country's regions that form innovative solvations with subjects of other industries and spheres of activity and are the main rational consumers of regional resources that combine the potential of innovative speed, high quality, adaptation to changing consumer demands, etc. This article examines the scientific and practical problem of the formation and functioning of innovation-oriented industrial solvates, the solution of which is in line with the new approach proposed by the authors to identify, determine the sources and rank the effects of innovative solvations in the regional industry. This approach is built on the concept of a circular economy, which is based on the assumption of the most rational organization and use of all types of resources of integrated industrial enterprises and related industries (spheres of activity), including through the use of end-to-end digital technologies. It has been proved that in various phases of the economic cycle, effective resource provision of solvation processes in the system of industrial innovations is of decisive importance, which means not only the rational distribution of limited resources between the participants of innovative solvations but also their lean and waste-free use in the production process.

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Usacheva, Tatiana R., Kseniya I. Kuz'mina, Mikhail A. Cheshinskiy, Irina A. Kuz'mina e Valentin A. Sharnin. "DATABASE ON THERMODYNAMIC PARAMETERS OF REACTIONS OF COMPLEXATION AND SOLVATION IN MIXED SOLVENTS". IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENIY KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 59, n.º 3 (12 de julho de 2018): 86. http://dx.doi.org/10.6060/tcct.20165903.5295.

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Study of the effect of solvation on the thermodynamics and kinetics of complexation reactions in mixed solvents are performed in ISUCT and they are one of the main scientific directions of the university. For systematization of thermodynamic parameters of complexation and solvations in the mixed solvents which were obtained by researchers of ISUCT the database «Thermodynamics of a complex formation and solvation in binary solvents» was developed using a MS Access Database Management System which provides fast search of necessary thermodynamic characteristics and also information on the used methods of researches.

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Ma, Mengying, Renzhi Huang, Min Ling, Yong‐Sheng Hu e Huilin Pan. "Towards stable electrode–electrolyte interphases: Regulating solvation structures in electrolytes for rechargeable batteries". Interdisciplinary Materials 2, n.º 6 (novembro de 2023): 833–54. http://dx.doi.org/10.1002/idm2.12131.

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AbstractRechargeable batteries are highly in demand to power various electronic devices and future smart electric grid energy storage. The electrode–electrolyte interphases play a crucial role in influencing the electrochemical performance of batteries, with the solvation chemistries of the electrolyte being particularly significant in regulating these interfacial reactions. However, the reaction mechanisms of electrolyte solvation and their specific functions in batteries are not yet fully understood. In this review, we embark on an exploration of the fundamental principles governing solvation and present a comprehensive overview of how solvation structures impact interfacial reactions at the electrode–electrolyte interface. We underscore the significance of interactions among cations, anions, and solvents in shaping electrolyte solvation structures. The primary strategies for controlling solvation structures are also discussed, including the optimization of salt concentrations, solvent interactions, and the introduction of functional cosolvents. Furthermore, we elucidate the oxidation/reduction reaction mechanisms of electrolyte components in different solvation structures and the new understanding of electrolyte additives in modulating interfacial chemistries in batteries. Additionally, we emphasize the importance of incorporating new characterization techniques and theoretical simulations to attain a deeper understanding of the intricate processes taking place within batteries. This review provides an in‐depth understanding in solvations and interphasial properties and new ideas for designing advanced functional electrolytes for rechargeable batteries.

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Anema, Skelte G., e Lawrence K. Creamer. "Effect of the A and B variants of both αs1- and κ-casein on bovine casein micelle solvation and κ-casein content". Journal of Dairy Research 60, n.º 4 (novembro de 1993): 505–16. http://dx.doi.org/10.1017/s0022029900027862.

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SummaryCasein micelle solvation, a micelle characteristic that is sensitive to many factors, has been measured by a centrifugation technique at 30 °C for a series of uncooled fresh skim milks at pH 6·3, 6·6, 6·9 and 7·1. The relative αs-(αs1- plus αs2-), β– and κ-casein contents of all centrifuge pellets and supernatants were determined by a standardized electrophoretic method. The calcium and phosphate contents of a number of the pellets and milk samples were also determined. Solvation of micelles from milks with various genetic variants of β-lactoglobulin (A and B), αs1-casein (A and B) and κ-casein (A and B) was often found to be lower for milks containing either the B variant of αs1-casein or the A variant of κ-casein. It was also found that these two variant caseins were associated with a lower κ-casein content of the milks and the micelles, which is consistent with the lower solvation as κ-casein is associated with smaller micelle size and greater solvation. The solvations also seemed to increase during the lactation period. It is possible that some of the other features of milk and its products that have been ascribed to the differences in functional character between the A and B variants of αs1-casein may be partly caused by the increased level of κ-casein. The reason for the association of the A variant of αs1-casein with higher concentrations of κ-casein (and micelle solvation) is not obvious but possibly the haplotype αs1-casein A, β-casein A1, κ-casein A contains a controlling sequence in the chromosomal DNA that enhances expression of the κ-casein gene.

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Schreiber, Henry D., e M. Todd Coolbaugh. "Solvations of redox ions in glass-forming silicate melts". Journal of Non-Crystalline Solids 181, n.º 3 (fevereiro de 1995): 225–30. http://dx.doi.org/10.1016/s0022-3093(94)00516-8.

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IZUTSU, Kosuke. "Electrochemical approach to ion solvations. Applications of ion-selective electrodes as sensors for ion solvations and the problem of the liquid junction potential between different solvents. A review." Analytical Sciences 7, n.º 1 (1991): 1–8. http://dx.doi.org/10.2116/analsci.7.1.

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Okuno, Yoshishige. "Microscopic description of nonadiabatic, nonequilibrium, and equilibrium solvations for solvated cluster reactions: (H2O)nCl−+CH3Cl→ClCH3+Cl−(H2O)n". Journal of Chemical Physics 105, n.º 14 (8 de outubro de 1996): 5817–29. http://dx.doi.org/10.1063/1.472424.

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Liu, Shiyuan, Shijie Xu, Weiwei Tang, Bo Yu, Baohong Hou e Junbo Gong. "Revealing the roles of solvation in D-mannitol's polymorphic nucleation". CrystEngComm 20, n.º 46 (2018): 7435–45. http://dx.doi.org/10.1039/c8ce01222a.

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Faraji, Mohammad, e Ali Farajtabar. "Solvatochromism of naringenin in aqueous alcoholic mixtures". Journal of the Serbian Chemical Society 81, n.º 10 (2016): 1161–69. http://dx.doi.org/10.2298/jsc160327060f.

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The spectral change of naringenin was studied by Uv-vis spectrophotometric method in binary mixtures of water with methanol, ethanol and 1-propanol at 25?C. The effect of solvent was investigated by analysis of electron transition energy at the maximum absorption wavelength as a function of Kamlet and Taft parameters of mixtures by means of linear solvation energy relationships. The nonlinear response of solvatochromism was explained based on solute-solvent and solvent-solvent interactions. The possible preferential solvation of naringenin by each of solvents was studied through a modified preferential solvation model which considers the hydrogen bonding interactions between the prior solvents due to solvent-solvent interactions. The preferential solvation parameters and local mole fraction distribution around the solute were calculated. Results indicate that naringenin prefers to be more solvated by the complex solvating species and organic solvents than water.

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Cao, Xia, Peiyuan Gao, Xiaodi Ren, Lianfeng Zou, Mark H. Engelhard, Bethany E. Matthews, Jiangtao Hu et al. "Effects of fluorinated solvents on electrolyte solvation structures and electrode/electrolyte interphases for lithium metal batteries". Proceedings of the National Academy of Sciences 118, n.º 9 (25 de fevereiro de 2021): e2020357118. http://dx.doi.org/10.1073/pnas.2020357118.

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Electrolyte is very critical to the performance of the high-voltage lithium (Li) metal battery (LMB), which is one of the most attractive candidates for the next-generation high-density energy-storage systems. Electrolyte formulation and structure determine the physical properties of the electrolytes and their interfacial chemistries on the electrode surfaces. Localized high-concentration electrolytes (LHCEs) outperform state-of-the-art carbonate electrolytes in many aspects in LMBs due to their unique solvation structures. Types of fluorinated cosolvents used in LHCEs are investigated here in searching for the most suitable diluent for high-concentration electrolytes (HCEs). Nonsolvating solvents (including fluorinated ethers, fluorinated borate, and fluorinated orthoformate) added in HCEs enable the formation of LHCEs with high-concentration solvation structures. However, low-solvating fluorinated carbonate will coordinate with Li+ ions and form a second solvation shell or a pseudo-LHCE which diminishes the benefits of LHCE. In addition, it is evident that the diluent has significant influence on the electrode/electrolyte interphases (EEIs) beyond retaining the high-concentration solvation structures. Diluent molecules surrounding the high-concentration clusters could accelerate or decelerate the anion decomposition through coparticipation of diluent decomposition in the EEI formation. The varied interphase features lead to significantly different battery performance. This study points out the importance of diluents and their synergetic effects with the conductive salt and the solvating solvent in designing LHCEs. These systematic comparisons and fundamental insights into LHCEs using different types of fluorinated solvents can guide further development of advanced electrolytes for high-voltage LMBs.

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Teses / dissertações sobre o assunto "Solvations"

Adamovic, Ivana. "Solvation!" Washington, D.C. : Oak Ridge, Tenn. : United States. Dept. of Energy. Office of Science ; distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy, 2004. http://www.osti.gov/servlets/purl/835373-NLtQXD/webviewable/.

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19 Dec 2004.
Published through the Information Bridge: DOE Scientific and Technical Information. "IS-T 2009" Ivana Adamovic. 12/19/2004. Report is also available in paper and microfiche from NTIS.

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Yokogawa, Daisuke. "Development of solvation theories focused on solvation structure and electronic structure". 京都大学 (Kyoto University), 2008. http://hdl.handle.net/2433/66209.

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Amman, Nahom. "The Solvation Chemistry of Polyoxometalates". Thesis, Umeå universitet, Kemiska institutionen, 2020. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-173088.

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Doyle, Carrie C. "Interfacial Potentials in Ion Solvation". University of Cincinnati / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1595499330707637.

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Carlotto, Silvia. "Modeling of dynamic solvation effects". Doctoral thesis, Università degli studi di Padova, 2008. http://hdl.handle.net/11577/3426266.

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Reactivity of molecular and supramolecular systems is greatly modified by the surrounding environment, often a fluid medium, and an active area of research is nowadays the study of the influence of a solvent structure on the static and dynamic properties of photo-active and paramagnetic probes, varying solvent properties, sample geometry and external perturbations. Standard continuum solvent theories are based on crude representations of the probe. Solvation processes depend in a specific way upon the structure of the solute, and in particular on molecular features as shape, flexibility, distribution of charges and anisotropy of the polarizability. Augmented solvent continuum approaches have been developed to interpret chromophore dynamics to account for persistent solvent local structures. Description of collective solvent modes is also necessary to understand relaxation processes affecting dynamics at longer times, in complex fluid environments: phase transitions in supercooled liquids, rheological properties of emulsions and colloids, confinement effects and finally micro and nano-probes dynamics. The inclusion of solvent effects is of great importance, in order to understand the physical mechanisms responsible of the tuning of the optical properties and therefore to the ultimate possibility to design nanomaterials with specific optical response. Theoretical methodologies based on stochastic and hydrodynamic modeling have proven over the years to be a powerful approach, especially when coupled with advanced quantum mechanical treatments, to describe effectively the dynamical aspects of solvation. The relationship between spectroscopic measurements and molecular properties can be gathered only indirectly, that is, structural and dynamic molecular characteristics can be inferred by the systematic application of modelling and numerical simulations to interpret experimental observables. A straightforward way to achieve this goal is the employment of spectroscopic evidence as the "target" of a fitting procedure of molecular, mesoscopic and macroscopic parameters entering the model. A more refined methodology is based on the combination of quantum mechanical calculations of structural parameters possibly including environmental and fast vibrational and librational averaging, and direct feeding of calculated molecular parameters into dynamic models based on molecular dynamics, coarse grain dynamics, and above all stochastic modeling or a combination of the three. Our main objective in this PhD work has been to discuss the degree of progress of advanced theoretical models are explored, aimed at clarifying the influence of solvent-driven relaxation processes on optic, magnetic and rheological observables. In particular we have developed integrated computational approaches to the interpretation of fluorescence emission of organic molecules in solvated environments, CW-ESR spectroscopy and rheological properties of ordered systems via combination of advanced quantum mechanical approaches, stochastic modeling of relaxation processes, and, in the last case, macroscopic models. In the first period we have shown that the model proposed is able to reproduce the spectral position and shape of the emission spectra. In particular the model reproduces the red shift expected for TICT excited states when the dielectric constant of the solvent increases. We developed a stochastic approach to the interpretation of the emission fluorescence of 4-(N,N-dimethylamino) benzonitrile (DMABN). Than we proceed by extending the modeling approach, in which internal degrees of freedom are coupled with an effective solvent relaxation variable. The extension of the model is applied to the simulation of the emission spectra of DMABN-Crown5, a DMABN derivative. Evaluation of potential energy surfaces using advanced QM approach and estimates of dissipative parameters based on hydrodynamic arguments are discussed. Emission fluorescence is calculated by solving a diffusion/sink/source equation for the stationary population of excited state, and compared to experimentally measured emission fluorescence of DMABN and DMABN-Crown5. Next we developed the complete a priori simulation of the ESR spectra of complex systems in solution. The usefulness and reliability of the method are demonstrated on the very demanding playground represented by the tuning of the equilibrium between 310- and ?-helices of polypeptides by different solvents. The starting point is good agreement between computed and X-ray diffraction structures for the 310-helix adopted by the double spin-labelled heptapeptide Fmoc-(Aib-Aib-TOAC)2-Aib-OMe. Next, density functional computations, including dispersion interactions and bulk solvent effects, suggest another energy minimum corresponding to an ?-helix in polar solvents, which, eventually, becomes the most stable structure. Computation of magnetic and diffusion tensors provides the basic ingredients for the building of complete spectra by methods rooted in the Stochastic Liouville Equation (SLE). The remarkable agreement between computed and experimental spectra at different temperatures allowed us to identify helical structures in the various solvents. The generality of the computational strategy and its implementation in effective and user-friendly computer codes pave the route toward systematic applications in the field of biomolecules and other complex systems. Finally, the purpose of the last part of the PhD period has been to analyze the dynamical behavior of a low viscosity nematic liquid crystals in presence of micro-size probe. We present a study of the translational friction coefficients of spherical and ellipsoidal probes moving in nematic liquid crystalline fluids, by solving numerically the constitutive hydrodynamic equations of nematic. The evaluation of the translational friction coefficients is based on a numerical solution of Leslie-Ericksen constitutive equations for the case of incompressible nematic fluids. The nematic medium is described by a vector field which specifies the director orientation in each point and by the velocity vector field. Simulation of director dynamics surrounding the moving probe are presented, and the dependence of translational diffusion upon liquid crystal viscoelastic parameters is discussed. The time evolution of director field, described by Leslie-Ericksen equations, is studied in the presence of an orienting magnetic field in two characteristic situations: director of motion parallel and perpendicular to field.

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Archer, Geoffrey Philip. "Spectroscopic studies of solvation : Part 1, Solvation of thiols; Part 2, Hydration of deoxyribonucleic acid". Thesis, University of Leicester, 1989. http://hdl.handle.net/2381/35412.

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The extent of hydrogen bonding in ethanethiol is determined using a correlation between the chemical shift of the sulphydryl proton and the stretching frequencies of the component bands of the vS-H infrared band The component bands having stretching frequencies at 2585 cm-1 and 2570 cm-1 for non hydrogen bonded and mono-hydrogen bonded thiol groups respectively. It is calculated that the pure liquid at 22°C. contains ca. 49% free SH bonds. A dimerisation constant of 0.038 dm3 mol-1 is estimated at 22°C. 2-Hydroxyethanethiol is used to investigate the strength of hydrogen bonding to the thiol group in aqueous solutions. The results of the IR and NIR studies are consistent with the formation of hydrogen bonds of S-H O type between thiol and water molecules. Salt and solvent effects upon the phosphate and thiophosphate groups of Sodium Dimethyphosphate (NaDMP) and Sodium Dimethylthiophosphate (NaDMSP) are investigated. Infrared spectra in the and v3P-O of DMP and DMSP suggest that the order of strength of binding of metal ion to phosphate/thiophosphate group is Na+ < Mg2+ < Ca2f. The results indicate that solvent-separated ion pairs dominate in aqueous solutions, whereas, mono- and bi-dentate contact ion pairs are favoured in DMSO and methanol solutions. The thiophosphate group is solvated by methanol and water, primarily at the oxygen site. No evidence was found to support hydrogen bond formation to the anionic sulphur site. Infrared spectra were also consistent with Mg2+ and Ca2+ interacting with the Oxygen atom, but not the Sulphur atom. DNA hydration is investigated using high field NMR spectrometry. Frozen aqueous DNA solutions were found to have a broad NMR signal due to hydration water. From this signal it is estimated that, at -12°C., the DNA samples are hydrated by ca. 25 water molecules per base pair of DNA.

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Patel, Kirankumar B. "Studies of solvation by spectroscopic methods". Thesis, University of Leicester, 1985. http://hdl.handle.net/2381/33846.

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The work described in this thesis is concerned with the use of relatively simple compounds in dilute solution to study solvation phenonena. Spectroscopic techniques such as infrared and NMR have been used to follow the environment of the 'probe' throughout various mixed and pure solvent states. The potential of NMR spectroscopy to solvation has been explored. Solvent effects on the resonance show that the sensitivity decreases in the order phosphine oxides - phosphonates - phosphates. This trend is also seen amongst carbonyl ccmpounds where the NMR sensitivity decreases in the order ketones - acetates - carbonates. It is thought that the paramagnetic contribution to the chenical shift may be inportant in dictating these shifts. Based on the evidence of previous work, it was always accepted that water formed the hydrate with maximum solvation number. The results from the ester study are important since it may be a mistake to assume such fixed solvation. The fundamental infrared work incorporates a study that investigates the relevance of coupling in systems such as phosphate mono-anions, carboxylate anions and others. The results for the phosphate mono-anions shew that the coupling between the P-O modes is sensitive to solvent perturbations. This trend is also partly seen amongst the carboxylate anions. Finally, the validity of Gutmann's Acceptor Number is examined. It is concluded that this solvent scale is only applicable to solvated states that are identical with those for triethylphosphine oxide.

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Day, Tyler James Frederick. "Ion solvation dynamics in binary solvents". Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1999. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape7/PQDD_0021/NQ46338.pdf.

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Johansson, Anna CV. "Solvation properties of proteins in membranes". Doctoral thesis, Stockholms universitet, Institutionen för biokemi och biofysik, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-27437.

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Knowledge about the insertion and stabilization of membrane proteins is a key step towards understanding their function and enabling membrane protein design. Transmembrane helices are normally quite hydrophobic to insert efficiently, but there are many exceptions with unfavorable polar or titratable residues. Since evolutionary conserved these amino acids are likely of paramount functional importance, e.g. the four arginines in the S4 voltage sensor helix of voltage-gated ion channels. This has lead to vivid discussion about their conformation, protonation state and cost of insertion. To address such questions, the main focus of this thesis has been membrane protein solvation in lipid bilayers, evaluated using molecular dynamics simulations methods. A main result is that polar and charged amino acids tend to deform the bilayer by pulling water/head-groups into the hydrophobic core to keep their hydrogen bonds paired, thus demonstrating the adaptiveness of the membrane to allow specific and quite complex solvation. In addition, this retained hydration suggests that the solvation cost is mainly due to entropy, not enthalpy loss. To further quantify solvation properties, free energy profiles were calculated for all amino acids in pure bilayers, with shapes correlating well with experimental in vivo values but with higher magnitudes. Additional profiles were calculated for different protonation states of the titratable amino acids, varying lipid composition and with transmembrane helices present in the bilayer. While the two first both influence solvation properties, the latter seems to be a critical aspect. When the protein fraction in the models resemble biological membranes, the solvation cost drops significantly - even to values compatible with experiment. In conclusion, by using simulation based methods I have been able to provide atomic scale explanations to experimental results, and in particular present a hypothesis for how the solvation of charged groups occurs.

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Gosal, Nrinder Singh. "Solvation and reactivity of inorganic complexes". Thesis, University of Leicester, 1985. http://hdl.handle.net/2381/33692.

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A simplified description is given of the operation of a multiwire proportional chamber (MWPC) in the soft X-ray imaging application. Expressions are developed to allow the calculation of the distribution of induced charge on the cathodes of an MWPC. With extensions to permit direct comparison, the calculations are subjected to detailed experimental verification. A generalised, approximate formulation of the distribution with one independent parameter is described. The prediction of cathode system position response using the theoretical distributions is demonstrated. The available MWPC position readout methods are reviewed, and where possible their differential non-linearity is measured experimentally. A new position-sensitive cathode of good linearity and spatial resolution is presented. The effect of the wires of an MWPC on its imaging performance is briefly considered. An attempt is made to assess the contribution to MWPC spatial resolution of the range of the electrons produced initially by an X-ray absorption event in argon-methane mixtures. In conclusion, the important causes of MWPC imaging imperfection are noted and classified.

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Mais fontes

Livros sobre o assunto "Solvations"

Royal Society of Chemistry. Faraday Division., ed. Solvation. London: Faraday Division, Royal Society of Chemistry, 1988.

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Ben-Naim, Arieh. Solvation Thermodynamics. Boston, MA: Springer US, 1987. http://dx.doi.org/10.1007/978-1-4757-6550-2.

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Sun, Chang Q. Solvation Dynamics. Singapore: Springer Singapore, 2019. http://dx.doi.org/10.1007/978-981-13-8441-7.

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Ion solvation. Chichester: Wiley, 1985.

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Solvation thermodynamics. New York: Plenum Press, 1987.

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A, Krestov G., e Kemp T. K, eds. Ionic solvation. New York: E. Horwood, 1994.

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Marcus, Yizhak. Ion solvation. Chichester: Wiley, 1985.

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Hirata, Fumio, ed. Molecular Theory of Solvation. Dordrecht: Kluwer Academic Publishers, 2004. http://dx.doi.org/10.1007/1-4020-2590-4.

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Young, Phillip Edward. Modelling solvation in chemistry. Manchester: University of Manchester, 1995.

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The chemical physics of solvation. Amsterdam: Elsevier, 1985.

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Capítulos de livros sobre o assunto "Solvations"

Ben-Naim, Arieh. "Elementary Background". In Solvation Thermodynamics, 1–39. Boston, MA: Springer US, 1987. http://dx.doi.org/10.1007/978-1-4757-6550-2_1.

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Ben-Naim, Arieh. "Some Specific Systems". In Solvation Thermodynamics, 41–122. Boston, MA: Springer US, 1987. http://dx.doi.org/10.1007/978-1-4757-6550-2_2.

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Ben-Naim, Arieh. "Further Theoretical Background". In Solvation Thermodynamics, 123–204. Boston, MA: Springer US, 1987. http://dx.doi.org/10.1007/978-1-4757-6550-2_3.

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Ben-Naim, Arieh. "On Mixing and Assimilation". In Solvation Thermodynamics, 205–34. Boston, MA: Springer US, 1987. http://dx.doi.org/10.1007/978-1-4757-6550-2_4.

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Gooch, Jan W. "Solvation". In Encyclopedic Dictionary of Polymers, 677–78. New York, NY: Springer New York, 2011. http://dx.doi.org/10.1007/978-1-4419-6247-8_10884.

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Wright, Margaret Robson. "Solvation". In The Nature of Electrolyte Solutions, 91–117. London: Macmillan Education UK, 1988. http://dx.doi.org/10.1007/978-1-349-09618-3_4.

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Stecki, J. "Ionic Solvation". In Advances in Chemical Physics, 413–58. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2007. http://dx.doi.org/10.1002/9780470143520.ch8.

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Marcus, Yizhak. "Ion Solvation". In Liquid-Liquid Interfaces, 39–61. Boca Raton: CRC Press, 2020. http://dx.doi.org/10.1201/9781003068778-3.

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Hawkins, Gregory D., Tianhai Zhu, Jiabo Li, Candee C. Chambers, David J. Giesen, Daniel A. Liotard, Christopher J. Cramer e Donald G. Truhlar. "Universal Solvation Models". In ACS Symposium Series, 201–19. Washington, DC: American Chemical Society, 1998. http://dx.doi.org/10.1021/bk-1998-0712.ch013.

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Eslami, Hossein, e Florian MÜller-Plathe. "Solvation In Polymers". In Challenges and Advances in Computational Chemistry and Physics, 279–320. Dordrecht: Springer Netherlands, 2008. http://dx.doi.org/10.1007/978-1-4020-8270-2_11.

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Trabalhos de conferências sobre o assunto "Solvations"

Bagchi, B., e V. Krishnan. "SOLVATION DYNAMICS & CHARGE TRANSFER REACTIONS". In Conference on Solvation Dynamics & Charge Transfer Reactions. WORLD SCIENTIFIC, 1991. http://dx.doi.org/10.1142/9789814540018.

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Neria, Eyal, e Abraham Nitzan. "Adiabatic and Non-Adiabatic Effects in Solvation Dynamics". In International Conference on Ultrafast Phenomena. Washington, D.C.: Optica Publishing Group, 1992. http://dx.doi.org/10.1364/up.1992.tub5.

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The solvation process may in principle involve more then one adiabatic state. This is referred to as non adiabatic solvation. Adiabatic solvation proceeds on a single electronic potential surface. We study the adiabatic solvation of an ion in a polar solvent using classical molecular dynamics simulations1 concentrating on the role of the rotational and translational motion of the solvent and the contribution of the different solvation shells to the solvation process. We also present results for ion solvation dynamics in a salt solution. The non adiabatic solvation of the hydrated electron is investigated using a newly proposed method for simulating non adiabatic transitions2

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Fainberg, B. D., B. Zolotov, A. Gan e D. Huppert. "Ultrafast Spectroscopy of Solvation Dynamics: from Linear to Nonlinear Solvation Study". In EQEC'96. 1996 European Quantum Electronic Conference. IEEE, 1996. http://dx.doi.org/10.1109/eqec.1996.561894.

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Percus, J. K. "Some aspects of solvation". In SIMULATION AND THEORY OF ELECTROSTATIC INTERACTIONS IN SOLUTION. ASCE, 1999. http://dx.doi.org/10.1063/1.1301527.

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Lian, T., H. Yang, M. Asplund, S. E. Bromberg e C. B. Harris. "Femtosecond IR Studies of Solvation by Directly Probing the Solvent". In International Conference on Ultrafast Phenomena. Washington, D.C.: Optica Publishing Group, 1996. http://dx.doi.org/10.1364/up.1996.fe.27.

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The response of solvent to the change of charge or dipole of solute molecules has been intensely studied in recent years1. In previous solvation experiments, time dependent fluorescence Stokes shift of dye molecules in different solvents were measured, from which the solvation time for the solvents were determined1,2. Various theories, from the simple dielectric continuum model to instantaneous solvent normal mode analysis, have been used to relate solvent motions to solvation time3,4. MD simulations have also been carried out to understand the nature of these solvent motions in the solvation process5. However, these time dependent Stokes shift experiments, which measure the solute fluorescence, can only provide an indirect microscopic picture of the relevant solvent motions during the solvation process.

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The response of solvent to the change of charge or dipole of solute molecules has been intensely studied in recent years1. In previous solvation experiments, time dependent fluorescence Stokes shift of dye molecules in different solvents were measured, from which the solvation time for the solvents were determined1, 2. Various theories, from the simple dielectric continuum model to instantaneous solvent normal mode analysis, have been used to relate solvent motions to solvation time3,4. MD simulations have also been carried out to understand the nature of these solvent motions in the solvation process5. However, these time dependent Stokes shift experiments, which measure the solute fluorescence, can only provide an indirect microscopic picture of the relevant solvent motions during the solvation process.

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Long, Frederick H., Hong Lu e Kenneth B. Eisenthal. "Femtosecond Studies of Electrons in Water". In International Conference on Ultrafast Phenomena. Washington, D.C.: Optica Publishing Group, 1990. http://dx.doi.org/10.1364/up.1990.wb3.

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Although the equilibrium properties of the aqueous electron have been well-studied, the solvation dynamics and other non-equilibrium properties are still not well understood. A fundamental question concerning the electron solvation dynamics is the nature of the transition from the wet electron to the solvated or equilibrium electron. Theoretical studies have predicted dynamics involving a continous change in the electron absorption spectra.1 Early experimental work has claimed that only two-states were involved, i.e. the solvation dynamics were not continous.2 In order to resolve these issues we have done experiments with improved time resolution and have looked for an isosbestic point in the solvation dynamics.3

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Maroncelli, M., E. W. Castner, S. P. Webb e G. R. Fleming. "Solvation Dynamics in Polar Liquids: Experiment and Simulation". In International Conference on Ultrafast Phenomena. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/up.1986.tha5.

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Current theoretical studies by a number of workers have focussed attention on the importance of solvation dynamics in determining the rates of reactions in solution1. This is especially true of reactions involving substantial charge redistribution in the reaction coordinate in polar solvents, where solvation energies may be quite large. The first step in testing these ideas is to obtain direct, microscopic measures of the kinetics of dipolar solvation. Experimentally, such information is available by monitoring the temporal evolution of the electronic spectrum of a probe solute after instantaneously changing its charge or dipole moment. Spectral shifts as a function of time directly monitor the course of solvation as the system reequilibrates to the new solute charge distribution.

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Barker, K. M., M. E. Newberry e Y. R. Yin. "Paraffin Solvation in the Oilfield". In SPE International Symposium on Oilfield Chemistry. Society of Petroleum Engineers, 2001. http://dx.doi.org/10.2118/64995-ms.

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Bruni, Paolo, Eziana Maurelli e Giorgio Tosi. "Association and solvation of indolinones". In Fourier Transform Spectroscopy: Ninth International Conference, editado por John E. Bertie e Hal Wieser. SPIE, 1994. http://dx.doi.org/10.1117/12.166740.

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Relatórios de organizações sobre o assunto "Solvations"

Adamovic, Ivana. Solvation! Office of Scientific and Technical Information (OSTI), janeiro de 2004. http://dx.doi.org/10.2172/835373.

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Lee, Jane H. Water-enhanced solvation of organics. Office of Scientific and Technical Information (OSTI), julho de 1993. http://dx.doi.org/10.2172/10182408.

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Taylor, A. J., e M. Asaki. SOLVATION DYNAMICS OF ION PAIRS. Office of Scientific and Technical Information (OSTI), outubro de 2000. http://dx.doi.org/10.2172/765260.

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Maroncelli, Mark. Solvation and Reaction in Ionic Liquids. Office of Scientific and Technical Information (OSTI), outubro de 2010. http://dx.doi.org/10.2172/1167277.

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Bright, F. V. Determination of solvation kinetics in supercritical fluids. Office of Scientific and Technical Information (OSTI), janeiro de 1993. http://dx.doi.org/10.2172/6306028.

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Mendolia, M. S., e G. C. Farrington. Solvation of Cobalt Salts by Oligomeric Polyethers. Fort Belvoir, VA: Defense Technical Information Center, junho de 1992. http://dx.doi.org/10.21236/ada254815.

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Chipman, Daniel M. Improved Dielectric Solvation Model for Electronic Structure Calculations. Office of Scientific and Technical Information (OSTI), dezembro de 2015. http://dx.doi.org/10.2172/1234921.

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Jonah, C. D., e Yi Lin. Experimental and theoretical studies of solvation of ions. Office of Scientific and Technical Information (OSTI), março de 1996. http://dx.doi.org/10.2172/208332.

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Perera, Lalith, e Max L. Berkowitz. Ultra-Fast Solvation Dynamics in a Stockmayer Fluid. Fort Belvoir, VA: Defense Technical Information Center, maio de 1992. http://dx.doi.org/10.21236/ada251110.

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Zawodzinski, T. A. ,. Jr, S. J. Paddison, D. Reagor e L. R. Pratt. Solvation and Ionic Transport in Polymer Electrolyte Membranes. Office of Scientific and Technical Information (OSTI), junho de 1999. http://dx.doi.org/10.2172/763908.

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