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Готові списки джерел за темами / Solvation Consequences

Добірка наукової літератури з теми "Solvation Consequences"

Автор: Grafiati

Опубліковано: 18 травня 2024

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Статті в журналах з теми "Solvation Consequences"

1

Louis, C., and J. Bessière. "Propriétés de solvation des solutions concentrées en acide phosphorique." Canadian Journal of Chemistry 64, no. 3 (March 1, 1986): 608–14. http://dx.doi.org/10.1139/v86-098.

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Solvation properties of ions inH2O–H3PO4 media (1–14 M) are characterized with their solvation transfer activity coefficients f. These are calculated from normal potential or solubility values, and indicate an increasing solvation for anions and decreasing solvation for cations in concentrated acid solutions. For each species, the range depends on its number of charges, on the existence of oxygen atoms in its structure, and on its basic properties. The consequences of variation of solvation on oxidation–reduction reactions and solubility properties are studied.

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2

Raczynska, Ewa D., and Krzysztof Wozniak. "ChemInform Abstract: Consequences of Internal Solvation in the Gas Phase." ChemInform 31, no. 32 (June 3, 2010): no. http://dx.doi.org/10.1002/chin.200032272.

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3

WANG, ZHEN-GANG. "VARIATIONAL ELECTROSTATICS FOR CHARGE SOLVATION." Journal of Theoretical and Computational Chemistry 07, no. 03 (June 2008): 397–419. http://dx.doi.org/10.1142/s0219633608003824.

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We show that the equations of continuum electrostatics can be obtained entirely and simply from a variational free energy comprising the Coulomb interactions among all charged species and a spring-like term for the polarization of the dielectric medium. In this formulation, the Poisson equation, the constitutive relationship between polarization and the electric field, as well as the boundary conditions across discontinuous dielectric boundaries, are all natural consequences of the extremization of the free energy functional. This formulation thus treats the electrostatic equations and the energetics within a single unified framework, avoiding some of the pitfalls in the study of electrostatic problems. Application of this formalism to the nonequilbrium solvation free energy in electron transfer is illustrated. Our calculation reaffirms the well-known result of Marcus. We address the recent criticisms by Li and coworkers who claim that the Marcus result is incorrect, and expose some key mistakes in their approach.

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4

Fraenkel, Gideon, Joseph H. Duncan, and Jinhai Wang. "Restricted Stereochemistry of Solvation of Allylic Lithium Compounds: Structural and Dynamic Consequences." Journal of the American Chemical Society 121, no. 2 (January 1999): 432–43. http://dx.doi.org/10.1021/ja983047h.

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5

Radhika, Veerati, and . "Conductance Study of Benzyl Bromide Reaction with Cyclicamines in Aqueous-Ethanol Medium." International Journal of Engineering & Technology 7, no. 3.3 (June 21, 2018): 143. http://dx.doi.org/10.14419/ijet.v7i3.3.14508.

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Nucleophilic substitution reaction of benzyl bromide and cyclicamines in ethanol aqueous intermediate reactivity can suggest that the nucleophile increases through their pKa values. A linear correlation exists between computed values of the dipole moment, rate and electronegativity of the nucelophiles. The two reactants suggest that frontier molecular orbital interactions ion-solvation and correlation of time with the HOMO-LUMO breach of that the reaction. But it is not orbital controlled as well as forbidden by the electrostatic interactions along with mixed solvent composition between the reactants. The influence on the solvation of ions before reaction has been discuss with facilitate by R-factor. Thermodynamic properties are evaluate and report. The consequences of the learning to be interpreted in terms of ion-solvent exchanges and solvent properties comparing with electrostatic interaction between the reactants.

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6

Steel, William H., James B. Foresman, Daniel K. Burden, Yuen Y. Lau, and Robert A. Walker. "Solvation of Nitrophenol Isomers: Consequences for Solute Electronic Structure and Alkane/Water Partitioning." Journal of Physical Chemistry B 113, no. 3 (January 22, 2009): 759–66. http://dx.doi.org/10.1021/jp805184w.

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7

Ghiviriga, Ion, and Daniela C. Oniciu. "Steric hindrance to the solvation of melamines and consequences for non-covalent synthesis." Chem. Commun., no. 22 (2002): 2718–19. http://dx.doi.org/10.1039/b206811g.

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8

Debadrita Roy, Sukdev Majumder, Biplab Rajbanshi, Subhadeep Saha, and Biswajit Sinha. "Physicochemical investigation of L-Asparagine in green solvent arrangements with the manifestation of solvation consequences." World Journal of Advanced Research and Reviews 13, no. 2 (February 28, 2022): 401–28. http://dx.doi.org/10.30574/wjarr.2022.13.2.0164.

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Solution behaviour prevailing in L-Asparagine in two aqueous ionic liquid solutions, namely (Benzyl tri–methyl ammonium chloride; Benzyl tri-ethyl ammonium chloride) have been studied by investigation of physico-chemical parameters; density, viscosity, refractive index, conductance and surface tension measurement respectively. The nature of interactions occurring in the solution have been calculated on the basis of apparent molar volume, viscosity A and B-coefficient, molar refraction at 298.15K,303.15K,308.15K and at 0.001m, 0.003m, 0.005m concentrations. The limiting apparent molar volumes (φV0) obtained from Masson equation, viscosity parameters, A and B coefficients obtained from Jones-Doles equation, Molar refraction (RM) from the Lorentz-Lorenz equation that describe the nature of solute-solute and solute-solvent interactions in the solution. Specific Conductance of the experimental solution, which applied to ascertain the ionic nature of the system. The different thermodynamic data, Δμ10≠, Δμ20≠, ΔH0≠, and TΔS0≠ also suggest the presence of strong interactions in the studied systems. The various types of interactions existing among amino acids in presence of ionic liquids which are the protein backbone would advance a many-dimensional challenge in the arena of solution chemistry. Studies of such systems could be forward-thinking further using the correlated results of the investigation.

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9

Gupta, Bhupender S., Bo-Ren Chen, and Ming-Jer Lee. "Solvation consequences of polymer PVP with biological buffers MES, MOPS, and MOPSO in aqueous solutions." Journal of Chemical Thermodynamics 91 (December 2015): 62–72. http://dx.doi.org/10.1016/j.jct.2015.07.022.

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10

Kumar, Suresh, та Hardeep Anand. "Ionic Association of Potassium and Tetrabutylammonium Thiocyanate Salts in Binary Mixtures of γ-Butyrolactone and N,N-Dimethylacetamide at 298.15 K and 308.15 K". Asian Journal of Chemistry 34, № 10 (2022): 2749–56. http://dx.doi.org/10.14233/ajchem.2022.23856.

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Solvation consequences of potassium thiocyanate (KSCN) and tetrabutylammonium thiocyanate (Bu4NSCN) in γ-butyrolactone (GBL), N,N-dimethylacetamide (DMA) and their binary mixtures in concentration range (0.01-0.001) mol Kg–1 of 0, 25, 50, 60, 80 and 100 mol% DMA at T = 298.15 K and 308.15 K have been studied using conductometric study and some samples of KSCN in GBL + DMA binary mixtures of different electrolytic concentrations at ambient conditions studied by FTIR spectroscopic methods. The Shedlovsky equation has been used to elucidate the data in terms of the limiting molar conductances (Λo), ion-pair association constants (KA). The Walden products (Λoηo), solvated radii (ri) and standard free energies of association (ΔGºA) were further evaluated in terms of solvation of ions. The reference electrolyte tetrabutylammonium tetraphenylborate (Bu4NBPh4) was used to determine the limiting molar ionic conductances. In pure solvents and their binary mixtures, electrolytes showed a strong association. The K+ ions have greater solvation in GBL than in DMA observed on basis of solvated radii in GBL + DMA binary solvent mixtures at both experimental temperatures. The study demonstrates that the ion-solvent interactions decrease on enhancing the temperature. The FTIR analysis was applied to obtain information about molecular as well as ionic association of KSCN in GBL + DMA binary mixtures at the ambient conditions, which has provided the information on structuring infrared modes of vibrational stretching frequencies according to the nature of the solvents or the cations. Shifting of vibrational frequencies of several functional groups of DMA and GBL in binary mixed solvents has been observed in terms of ion-ion, ion-solvent and solvent-solvent interactions.

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Більше джерел

Дисертації з теми "Solvation Consequences"

1

Roy, Kanak. "Inclusion complexes and solvation consequences of ionic liquids and biologically active molecules in liquid systems." Thesis, University of North Bengal, 2017. http://ir.nbu.ac.in/handle/123456789/2587.

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2

Fidler, Julie. "A computer simulation and experimental study of solvation structure and its consequences." Thesis, University of Reading, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.308036.

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3

Mondal, Jaygopal. "Solvation consequences of different aqueous media on some biologically active compounds: a physico-chemical study." Thesis, University of North Bengal, 2021. http://ir.nbu.ac.in/handle/123456789/4751.

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4

Majumder, Sukdev. "Exploration of solvation consequences of some ionic liquids and biologically potent molecules prevailing in different liquid environments." Thesis, University of North Bengal, 2022. http://ir.nbu.ac.in/handle/123456789/4758.

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5

Rahaman, Habibur. "Diverse Interactions of Some Significant Compounds Prevailing in Different Solvent Systems with the Manifestation of Solvation Consequence by Physicochemical Investigations." Thesis, University of North Bengal, 2019. http://ir.nbu.ac.in/handle/123456789/2814.

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Частини книг з теми "Solvation Consequences"

1

Schmickler, Wolfgang. "Quantum theory of electron-transfer reactions." In Interfacial Electrochemistry. Oxford University Press, 1996. http://dx.doi.org/10.1093/oso/9780195089325.003.0026.

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Анотація:

The theory of electron-transfer reactions presented in Chapter 6 was mainly based on classical statistical mechanics. While this treatment is reasonable for the reorganization of the outer sphere, the inner-sphere modes must strictly be treated by quantum mechanics. It is well known from infrared spectroscopy that molecular vibrational modes possess a discrete energy spectrum, and that at room temperature the spacing of these levels is usually larger than the thermal energy kT. Therefore we will reconsider electron-transfer reactions from a quantum-mechanical viewpoint that was first advanced by Levich and Dogonadze. In this course we will rederive several of, the results of Chapter 6, show under which conditions they are valid, and obtain generalizations that account for the quantum nature of the inner-sphere modes. By necessity this chapter contains more mathematics than the others, but the calculations are not particularly difficult. Readers who are not interested in the mathematical details can turn to the summary presented in Section 6. To be specific we consider electron transfer from a reactant in a solution, such as [Fe(H2O)6]2+, to an acceptor, which may be a metal or semiconductor electrode, or another molecule. To obtain wavefunctions for the reactant in its reduced and oxidized state, we rely on the Born-Oppenheimer approximation, which is commonly used for the calculation of molecular properties. This approximation is based on the fact that the masses of the nuclei in a molecule are much larger than the electronic mass. Hence the motion of the nuclei is slow, while the electrons are fast and follow the nuclei almost instantaneously. The mathematical consequences will be described in the following. Let us denote by R the coordinates of all the nuclei involved, those of the central ion, its ligarids, and the surrounding solvation sphere, and by r the coordinates of all electrons.

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Тези доповідей конференцій з теми "Solvation Consequences"

1

Mokhtari, R., A. Talaei, and K. Feilberg. "Experimental Investigation of Long-Term CO2 Exposure to Brine-Saturated Reservoir Chalk Core Material." In ADIPEC. SPE, 2023. http://dx.doi.org/10.2118/216562-ms.

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Abstract Geological media have long been regarded as a viable method to mitigate the environmental impact of human-caused CO2 emissions from specific sources, by storing carbon in the subsurface. The depleted hydrocarbon chalk fields found in the Danish North Sea area hold promise as potential sites for carbon storage. These fields possess significant pore volumes and many are nearing the end of their production lifespan. To unlock Denmark's main storage potential and develop cost-effective, low-risk CO2 storage solutions in depleted former hydrocarbon chalk reservoirs, studies of the potential and robustness of these reservoirs for storage are needed. The potential for CO2 storage in carbonate reservoirs, such as limestones, dolomites, and chalks, is substantial, given that these types of hydrocarbon reservoirs are prevalent worldwide. However, it is crucial to carefully investigate the geochemical response of chalk and other fractured and layered carbonate rocks under consideration to CO2, as well as the resulting geomechanical consequences, in order to minimize the risks associated with storage. Laboratory experiments involving exposure of chalk samples under representative reservoir temperature and pressure conditions, geochemical analyses, and geomechanical tests conducted at in-situ conditions are presented here. The chemical processes that occur at the rock's surface when in contact with natural formation water and dissolved CO2 can lead to potentially significant changes within the reservoir, both during injection and over time. If CO2 is injected as supercritical CO2, it undergoes solvation when it comes into contact with the formation water forming carbonated water. Alternatively, CO2 can be injected in the form of carbonated water directly, leading to immediate acidification of the water in contact with the rock. The geochemical reactions between carbonate rock and dissolved CO2 depend on various factors, including thermodynamic conditions, water salinity, pressure, and they can potentially cause significant dissolution of the rock matrix, either near the wellbore or in the wider rock matrix. Other factors that influence the safety and efficiency of storage include the presence of residual hydrocarbons, specific lithography, and local formation water chemistry. Dissolution can result in general geomechanical weakening, subsidence, leakage, changes in permeability, and altered flow paths. The rate of dissolution can vary, occurring rapidly during injection or gradually over the longer storage period of hundreds of years. The experiments conducted within examine the short to medium-term responses of chalk to CO2 exposure, considering the relevant physical and chemical processes. The experiments presented here show the response of real reservoir chalk from the Danish North Sea to formation water and CO2 exposure under reservoir conditions and it is observed that the scenarios where the chalk rock is in contact with the water phase leads to measurable but limited dissolution of the chalk indicating that CO2 storage in chalk might be more viable than previously thought.

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