Relevant bibliographies by topics / Solvation number

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  1. Journal articles
  2. Dissertations / Theses
  3. Book chapters
  4. Conference papers

Academic literature on the topic 'Solvation number'

Author: Grafiati
Published: 5 June 2025
Last updated: 1 August 2025

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Journal articles on the topic "Solvation number"

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Shi, Feifei. "(Invited) Thermodynamics of Solvation Process in Liquid Electrolytes." ECS Meeting Abstracts MA2025-01, no. 2 (2025): 121. https://doi.org/10.1149/ma2025-012121mtgabs.

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Corelating solvation structure and thermodynamic properties with transport properties serve as the foundation for electrolyte design. While various physicochemical properties, such as relative solvating power, solvation energy and spectroscopies have been used to study Li+ solvation, fundamental investigations in thermodynamic properties of solvation equilibrium across broad temperature ranges are still lacking. In this work, we combined temperature-resolved Infrared and Raman spectroscopies to systematically pinpoint the dynamic evolution of Li+-solvent and Li+-anion local coordination in typ
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Lucht, Brett L., and David B. Collum. "Ethereal Solvation of Lithium Hexamethyldisilazide: Unexpected Relationships of Solvation Number, Solvation Energy, and Aggregation State." Journal of the American Chemical Society 117, no. 39 (1995): 9863–74. http://dx.doi.org/10.1021/ja00144a012.

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Marcus, Y. "The solvation number of ions obtained from their entropies of solvation." Journal of Solution Chemistry 15, no. 4 (1986): 291–306. http://dx.doi.org/10.1007/bf00648884.

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Deng, Zhongyi, and Donald E. Irish. "A Raman spectral study of solvation and ion association in the systems LiAsF6/CH3CO2CH3 and LiAsF6/HCO2CH3." Canadian Journal of Chemistry 69, no. 11 (1991): 1766–73. http://dx.doi.org/10.1139/v91-259.

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The structure of the solvated lithium cation in methyl acetate (MA) solutions has been investigated using Raman spectroscopy. Two bands at 844 and 864 cm−1 have been assigned to two different types of MA: the former is from the bulk solvent and the latter arises from MA molecules solvating the lithium cation. From measurement of changes in intensity of these bands with increasing salt concentration a solvation number of four for Li+ in MA has been inferred. Changes in the Raman bands at ca. 1740 cm−1 suggest that solvation occurs through the carbonyl group. Evidence for contact ion pairing bet
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Youmin, Zhang, and Zhao Xinsheng. "STUDY OF SOLVATION OF MONATOMIC IONS Ⅰ. PARTIAL MOLAL VOLUME AND SOLVATION NUMBER." Acta Physico-Chimica Sinica 1, no. 04 (1985): 308–17. http://dx.doi.org/10.3866/pku.whxb19850403.

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SATO, H., A. MATSUZAKI, S. NISHIO, Y. HORIKI, and O. ITO. "REACTIONS OF MONOVALENT METAL IONS (M+) WITH MIXED MOLECULAR CLUSTERS (NH3)m(H2O)n AS STUDIED BY LASER-ABLATION MOLECULAR BEAM (LAMB) METHOD: PREFERRED OR NONSPECIFIC COORDINATION." Surface Review and Letters 03, no. 01 (1996): 671–74. http://dx.doi.org/10.1142/s0218625x96001200.

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Three distinct types of competitive solvation around monopositive metal ions in the gas phase have been revealed by the laser-ablation molecular beam method using binary clusters in the molecular beam: (i) preferred solvation of one of the two components, (ii) essentially nonselective solvation, and (iii) magic-number-like behavior of one component in the presence of the other component in the outer solvation sphere.
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Louis, C., and J. Bessière. "Propriétés de solvation des solutions concentrées en acide phosphorique." Canadian Journal of Chemistry 64, no. 3 (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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Wahab, Abdul, and Sekh Mahiuddin. "Isentropic compressibility and viscosity of aqueous and methanolic lithium chloride solutions." Canadian Journal of Chemistry 80, no. 2 (2002): 175–82. http://dx.doi.org/10.1139/v02-007.

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Densities, speeds of sound, and viscosities of aqueous and methanolic lithium chloride solutions were measured as functions of concentration, m (mol kg–1) (0.3911 [Formula: see text] m [Formula: see text] 19.47) and temperature (273.15 [Formula: see text] T [Formula: see text] 323.15 K). Measured values of the density, speeds of sound, and viscosity agree well with previously reported data. The isentropic compressibility isotherms for the aqueous solutions converge at a particular concentration, in the temperature range of the study, providing crucial information regarding the solvation behavi
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Anema, Skelte G., та 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, № 4 (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
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Koshkin, V. M., V. D. Evtushenko, and O. A. Muraeva. "Relative viscosity and the solvation number in solutions." Theoretical and Experimental Chemistry 21, no. 5 (1986): 600–603. http://dx.doi.org/10.1007/bf00944103.

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Dissertations / Theses on the topic "Solvation number"

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Langer, Matthias. "Protonierungs-, Komplexbildungs- und Verteilungseigenschaften von tripodalen Azaliganden." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2006. http://nbn-resolving.de/urn:nbn:de:swb:14-1144746562988-21053.

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Ziel der Untersuchungen war die Charakterisierung der Protonierungs-, Komplexbildungs- und Verteilungseigenschaften von tripodalen Azaliganden unter Anwendung thermodynamischer und spektroskopischer Verfahren. Im Vordergrund stand dabei der Einfluß des Lösungsmittels auf die zugrundeliegenden Gleichgewichte. Ausgehend von dem Aminopodanden Tris(2-aminoethylamin) (tren) wurden für eine Reihe abgeleiteter Verbindungen mit unterschiedlichen Stickstoffdonorfunktionen und Substituenten Faktoren untersucht, welche die beteiligten Gleichgewichte beeinflussen. Das Protonierungsverhalten der Polyaminve
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Langer, Matthias. "Protonierungs-, Komplexbildungs- und Verteilungseigenschaften von tripodalen Azaliganden." Doctoral thesis, Technische Universität Dresden, 2005. https://tud.qucosa.de/id/qucosa%3A24687.

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Ziel der Untersuchungen war die Charakterisierung der Protonierungs-, Komplexbildungs- und Verteilungseigenschaften von tripodalen Azaliganden unter Anwendung thermodynamischer und spektroskopischer Verfahren. Im Vordergrund stand dabei der Einfluß des Lösungsmittels auf die zugrundeliegenden Gleichgewichte. Ausgehend von dem Aminopodanden Tris(2-aminoethylamin) (tren) wurden für eine Reihe abgeleiteter Verbindungen mit unterschiedlichen Stickstoffdonorfunktionen und Substituenten Faktoren untersucht, welche die beteiligten Gleichgewichte beeinflussen. Das Protonierungsverhalten der Polyaminve
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Book chapters on the topic "Solvation number"

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Henchman, Michael, Peter M. Hierl, and John F. Paulson. "Nucleophilic Displacement in the Gas Phase as a Function of Temperature, Translational Energy, and Solvation Number." In Advances in Chemistry. American Chemical Society, 1987. http://dx.doi.org/10.1021/ba-1987-0215.ch006.

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Yamaguchi, Toshio. "X-ray and Neutron Scattering." In Metal Ions and Complexes in Solution. Royal Society of Chemistry, 2023. http://dx.doi.org/10.1039/bk9781839169601-00020.

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X-ray and neutron scattering techniques combined with empirical potential structure refinement (EPSR) modeling give us direct information on the three-dimensional structure (interatomic distance and coordination number) of ion solvation and association, metal complexes, and solvents in solutions. This chapter will give a theoretical background to X-ray and neutron scattering, EPSR modeling, instrumentation, data treatment, and applications to ion solvation and metal complexes in solution.
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"In Bulk Electrolytes: Ionics." In Electrolytes, Interfaces and Interphases. The Royal Society of Chemistry, 2023. http://dx.doi.org/10.1039/9781839166174-00011.

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Starting from this chapter, we discuss Ionics, i.e. the knowledge about how ions interact with each other and with solvent molecules in an electrolyte solution, and the quantities that define the basic properties of an electrolyte, such as the dielectric constant of the solvent and electrolyte, solvation sheath structure and solvation number of ions, ionic strength, activity coefficient, and the departure of practical electrolytes from ideality.
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Persson, Ingmar. "Hydration and Solvation of Metal Ions." In Metal Ions and Complexes in Solution. Royal Society of Chemistry, 2023. http://dx.doi.org/10.1039/bk9781839169601-00120.

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This chapter summarizes the experimentally reported structures of hydrated and solvated metal ions in solution and the solid state. The oxygen donor solvents dimethylsulfoxide, N,N-dimethylformamide, and N,N′-dimethylpropyleneurea and the nitrogen donor solvents acetonitrile and liquid ammonia have been selected because a relatively large number of solvate structures, in both the solid state and solution, have been reported. Their bonding characteristics are fairly different and can therefore act as models for a wide range of solvents. N,N′-Dimethylpropyleneurea is selected as it is space-dema
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Umebayashi, Yasuhiro, and Ingmar Persson. "Ion Solvation in Non-aqueous and Mixed Solvents." In Metal Ions and Complexes in Solution. Royal Society of Chemistry, 2023. http://dx.doi.org/10.1039/bk9781839169601-00140.

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The structure and stability of a metal ion solvate depend on the steric demands of the solvent molecule upon coordination. Water is a small molecule without steric demands, and the coordination number of metal ion hydrates is given by the number of oxygen atoms able to cluster around a metal ion with a given ionic radius. Some solvent molecules as tetramethyl- and dimethylpropyleneurea and hexamethylphosphoramide have methyl groups close to the oxygen donor atom, which make them require much more space upon coordination. The structures and physico-chemical properties of metal ion solvates with
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Torrens, Francisco, and Gloria Castellano. "Cluster Origin of Solvation Features of C-Nanostructures in Organic Solvents." In Advances in Medical Technologies and Clinical Practice. IGI Global, 2016. http://dx.doi.org/10.4018/978-1-5225-0248-7.ch008.

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The existence of fullerenes, Single-Wall Carbon Nanocones (SWNCs), especially Nanohorns (SWNHs), Single-Wall Carbon Nanotube (SWNT) (CNT) (NT), NT-Fullerene Bud (NT-BUD), Nanographene (GR) and GR-Fullerene Bud (GR-BUD) in cluster form is discussed in organic solvents. Theories are developed based on columnlet, bundlet and droplet models describing size-distribution functions. The phenomena present a unified explanation in the columnlet model in which free energy of cluster-involved GR comes from its volume, proportional to number of molecules n in cluster. Columnlet model enables describing di
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Fawcett, W. Ronald. "Spectroscopic Studies of Liquid Structure and Solvation." In Liquids, Solutions, and Interfaces. Oxford University Press, 2004. http://dx.doi.org/10.1093/oso/9780195094329.003.0009.

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Spectroscopy involves the study of the interactions of electromagnetic radiation with matter. In the case of liquids, radiation of a wide range of frequencies, and thus energies, has been used, all the way from radio-frequency waves to X-rays. Experiments involving neutrons, which are associated with very short wavelengths, are also important. In the spectroscopic experiment the incident radiation may be either absorbed or scattered and the experimental information is obtained by examining the intensity and direction of the radiation after it has passed through the sample. Several spectroscopi
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Burgess, John. "Solvation numbers." In Ions in Solution. Elsevier, 1999. http://dx.doi.org/10.1533/9781782420569.28.

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Moroni, S., N. Blinov, and P. N. Roy. "Quantum Monte Carlo study of helium clusters doped with nitrous oxide: Quantum solvation and rotational dynamics." In Quantum Monte Carlo. Oxford University PressNew York, NY, 2007. http://dx.doi.org/10.1093/oso/9780195310108.003.00153.

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Abstract The infrared spectra of small molecules embedded in helium nanodroplets display sharp rotational lines suggesting a decoupling of the molecular rotation from the motion of the helium atoms. The spectra observed for several different molecules have been explained in earlier reptation QMC calculationsa giving moments of inertia and thus effective rotational constants B as a function of the number N of helium atoms in a cluster. This paper reports such calculations for the nitrous oxide molecule NNO which has been observed to have a turnaround in the evolution of B with N. The value of B
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Schmickler, Wolfgang. "Adsorption on metal electrodes." In Interfacial Electrochemistry. Oxford University Press, 1996. http://dx.doi.org/10.1093/oso/9780195089325.003.0009.

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Whenever the concentration of a species at the interface is greater than can be accounted for by electrostatic interactions, we speak of specific adsorption. It is usually caused by chemical interactions between the adsorbate and the electrode, and is then denoted as chemisorption. In some cases adsorption is caused by weaker interactions such as van der Waals forces; we then speak of physisorption. Of course, the solvent is always present at the interface; so the interaction of a species with the electrode has to be greater than that of the solvent if it is to be adsorbed on the electrode sur
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Conference papers on the topic "Solvation number"

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Mitten, D. B., S.-H. Zhang, K. E. Hautanen, J. A. Cline, E.-H. Han, and R. M. Latanision. "Evaluating Stress Corrosion and Corrosion Aspects in Supercritical Water Oxidation Systems for the Destruction of Hazardous Waste." In CORROSION 1997. NACE International, 1997. https://doi.org/10.5006/c1997-97203.

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Abstract There is, currently, simultaneous public resistance to traditional waste handling procedures and a compelling need to destroy both military and civilian hazardous waste. Supercritical water oxidation (SCWO) is one developing technology particularly appropriate for treating a broad range of dilute aqueous organic wastes. Above its critical point (374°C and 221 atm) water is a low density fluid possessing properties intermediate between those of a liquid and a gas, and solvation characteristics more typical of a low polarity organic than water. Although this is a promising technology, a
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Maroncelli, M., E. W. Castner, S. P. Webb, and G. R. Fleming. "Solvation Dynamics in Polar Liquids: Experiment and Simulation." In International Conference on Ultrafast Phenomena. 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 instantan
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Yamada, Yuki, Yasuhiro Koyama, Takeshi Abe, and Zempachi Ogumi. "Charge-Discharge Behavior of Graphite in Propylene Carbonate-Containing Electrolytes." In 1st International Electric Vehicle Technology Conference. Society of Automotive Engineers of Japan, 2011. http://dx.doi.org/10.4271/2011-39-7236.

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<div class="section abstract"><div class="htmlview paragraph">The electrochemical intercalation of lithium-ion into natural graphite cannot take place in propylene carbonate (PC)-based electrolytes. Continuous decomposition of PC, accompanied by the exfoliation of graphite, is observed instead of the intercalation of lithium-ion. One of the plausible hypotheses to explain this behavior is that PC-solvated lithium-ion intercalates into graphite during the first charge, resulting in the exfoliation of graphite. Therefore, we consider that the solvation structure of lithium-ion in PC-
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Behandish, Morad, Pouya Tavousi, Horea T. Ilieş, and Kazem Kazerounian. "GPU-Accelerated Computation of Solvation Free Energy for Kinetostatic Protein Folding Simulation." In ASME 2013 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/detc2013-12675.

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A realistic computer simulation of protein folding requires a comprehensive account of interaction energetics, placing a substantial demand on processing power. This paper presents an improved computational framework for protein folding software package PROTOFOLD, that enables efficient computation of solvation free energy effects in addition to Coulombic and van der Waals interactions. Efficient data structures have been utilized to speed-up the sequential running times from O(n2) to O(n), n being the number of atoms. It turns out, however, that an accurate evaluation of molecular surface are
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Zhang, H., A. M. Jonkman, P. van der Meulen, and M. Glasbeek. "Femtosecond Studies of Charge Separation in the Fluorescent State of DCM." In International Conference on Ultrafast Phenomena. Optica Publishing Group, 1994. http://dx.doi.org/10.1364/up.1994.md.7.

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Solvation dynamics has long been recognized to be of great importance for the understanding of the rate of intramolecular electron transfer (ET) reactions1,2. Especially when the ET reaction takes place in the so-called strong adiabatic coupling limit, solvation dynamics may predominantly determine the ET rate constant. Under such conditions one has κ ≫ 1, where the adiabaticity parameter3, κ, is given by κ = π V2 〈τ〉 /ħλm, in which V is the electronic coupling between the locally excited (LE) and charge transfer (CT) states involved in the electron transfer process, 〈τ〉 is the solvent relaxat
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Tripathi, G. N. R. "Resonance Raman spectra and solvation dynamics of transient dihalide radical ions in aqueous solution." In International Laser Science Conference. Optica Publishing Group, 1986. http://dx.doi.org/10.1364/ils.1986.thg4.

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The upper electronic states in the near-ultraviolet transition (2Σ g ←2Σ u + ) of dihalide radical ions ( Cl 2 ⋅ ¯ , Br 2 ⋅ ¯ , I 2 ⋅ ¯ ) are known to be dissociative. We have observed the resonance Raman spectra of these highly reactive species (and also Cl Br ⋅ ¯ ) prepared by pulse radiolysis methods in aqueous solution. The resonance Raman observations combined with low photodissociation yields (10-24%) indicate that the excited state lifetimes are of the order of vibrational period of the radical molecules. From the extrapolated convergence of the vibrational progressions in the Raman spe
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Tavousi, Pouya, Morad Behandish, Kazem Kazerounian, and Horea T. Ilieş. "An Improved Free Energy Formulation and Implementation for Kinetostatic Protein Folding Simulation." In ASME 2013 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/detc2013-12671.

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Protein structure prediction remains one of the significant challenges in computational biology. We have previously shown that our kinetostatic compliance method can overcome some of the key difficulties faced by other de novo structural prediction methods, such as the very small time steps required by the molecular dynamics approaches, or the very large number of samples required by the sampling based techniques. In this paper we extend the previous free energy formulation by adding the solvent effects, which contribute predominantly to the folding phenomena. We show that the addition of the
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Cong, Peijun, Yi Jing Yan, Hans Deuel, and John D. Simon. "Optical Dephasing Dynamics in Room-temperature Liquids." In International Conference on Ultrafast Phenomena. Optica Publishing Group, 1994. http://dx.doi.org/10.1364/up.1994.tud.18.

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The dynamic aspects of electronic relaxation of molecules in solution are central to the understanding of a wide range of condensed phase photophysical and photochemical processes. While the population relaxation rate of electronically excited species can be measured by a number of spectroscopic methods, the evolution of the phase coherence in liquids has been difficult to characterize due to its ultrafast nature. With advances in the technology of generating ultrashort laser pulses, the relaxation of electronic coherence can finally be studied in real time. In the past decade, femtosecond pho
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Queiroz, Nayhara B. D. F., and M. S. Amaral. "EFEITOS DE MICRO-HIDRATAÇÃO EM PROPRIEDADES CONFORMACIONAIS E ESPECTROSCÓPICAS DO ANTIBIÓTICO MARBOFLOXACINO." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol2020177.

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Marbofloxacin (MRB) is a fluoroquinolone used as a veterinary antibiotic. Some analytical methods of optical absorption are used for their determination in pharmaceutical formulations. Thus, we decided to study the electronic absorption spectrum of MRB in the UV-Vis region. For this, we use the TD-DFT, COSMO methods - based on the solvation continuum model - and micro-hydration. The interactions of MRB in both water and vacuum were simulated using computational modeling techniques. Ab initio quantum calculations were used to optimize the geometry of the isolated molecule and in the optical tra
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Hassan, Anas Mohammed, Mohammed Ayoub, Mysara Eissa, Emad W. Al-Shalabi, Abdullah Almansour, and Abdulrahman Alquraishi. "Foamability and Foam Stability Screening for Smart Water Assisted Foam Flooding: A New Hybrid EOR Method." In International Petroleum Technology Conference. IPTC, 2022. http://dx.doi.org/10.2523/iptc-22475-ms.

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Abstract The smart water-assisted foam flooding (SWAF) technique is a novel EOR method that is a synergic combination of smart water and foam-flooding methods. Smart water enables multi-level improvements, such as stabilizing foam-lamella and altering the wettability of the carbonate rock, which results in a desirable relative-permeability behavior. This paper experimentally investigated foam characterization related to enhanced oil recovery (EOR) using the smart water-assisted foam flooding (SWAF) technique including foamability and foam stability. This study aims to identify the foaming agen
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