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Infinite Dilution sentence examples within apparent molar volume
The infinite dilution apparent molar volumes, Vϕ/m3·mol−1, and limiting apparent molar expansibility, E Φ 0 / c m 3 · m o l - 1 · K - 1 , have been obtained and discussed from the RRM equation and polynomial equation.
The infinite dilution apparent molar volumes, Vϕ/m3·mol−1, and limiting apparent molar expansibility, E Φ 0 / c m 3 · m o l - 1 · K - 1 , have been obtained and discussed from the RRM equation and polynomial equation.
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From the measured density, some derived properties like apparent molar volume at infinite dilution, transfer volume, hydration number and apparent molar expansibility at infinite dilution of amino acid/glycyl dipeptide in [C8C1Pyrr]Br solutions were determined.
From the measured density, some derived properties like apparent molar volume at infinite dilution, transfer volume, hydration number and apparent molar expansibility at infinite dilution of amino acid/glycyl dipeptide in [C8C1Pyrr]Br solutions were determined.
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Infinite Dilution sentence examples within inverse gas chromatography
Many studies were devoted in our Laboratory to the determination of physico-chemical and thermodynamic properties of polymers and/or oxides by using the inverse gas chromatography (IGC) at infinite dilution.
Many studies were devoted in our Laboratory to the determination of physico-chemical and thermodynamic properties of polymers and/or oxides by using the inverse gas chromatography (IGC) at infinite dilution.
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Infinite Dilution sentence examples within partial molar volume
Partial molar volumes for 15 alkali halide solutes are calculated from the slope of solution density (g/L) versus the solution molarity (mol/L) at the infinite dilution limit.
Partial molar volumes for 15 alkali halide solutes are calculated from the slope of solution density (g/L) versus the solution molarity (mol/L) at the infinite dilution limit.
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Finally, the solubilities of NH3 were fitted to the Krichevsky−Kasarnovsky equation to calculate the Henry's constants and partial molar volumes at infinite dilution of NH3 in DESs, as well as the enthalpy changes, Gibbs free energy changes and entropy changes for NH3 absorption process.
Finally, the solubilities of NH3 were fitted to the Krichevsky−Kasarnovsky equation to calculate the Henry's constants and partial molar volumes at infinite dilution of NH3 in DESs, as well as the enthalpy changes, Gibbs free energy changes and entropy changes for NH3 absorption process.
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Infinite Dilution sentence examples within excess molar volume
These results have been used to calculate the excess molar volumes, partial molar volumes, apparent molar volumes and partial molar volumes at infinite dilution.
These results have been used to calculate the excess molar volumes, partial molar volumes, apparent molar volumes and partial molar volumes at infinite dilution.
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The excess molar volume, VmE\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${\text{V}}_{\text{m}}^{\text{E}}$$\end{document}, was calculated using the experimental data, from which a Redlich–Kister type polynomial was fit, enabling the determination of the partial molar volumes, the excess partial molar volumes, the apparent molar volumes and the excess partial molar volumes at infinite dilution.
The excess molar volume, VmE\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$${\text{V}}_{\text{m}}^{\text{E}}$$\end{document}, was calculated using the experimental data, from which a Redlich–Kister type polynomial was fit, enabling the determination of the partial molar volumes, the excess partial molar volumes, the apparent molar volumes and the excess partial molar volumes at infinite dilution.
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Infinite Dilution sentence examples within limiting apparent molar
0199 mol kg−1 range of concentrations and its limiting apparent molar volumes at infinite dilution (\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$V_{{\varphi ,{\text{SDS}}}}^{^\circ }$$\end{document}) in solutions containing the amino acid (at a fixed concentration of 0.
0199 mol kg−1 range of concentrations and its limiting apparent molar volumes at infinite dilution (\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$V_{{\varphi ,{\text{SDS}}}}^{^\circ }$$\end{document}) in solutions containing the amino acid (at a fixed concentration of 0.
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Infinite dilution limiting apparent molar volume (Vϕ0\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$V_{\phi }^{0}$$\end{document}) and limiting apparent molar isentropic compression (Kϕ,S0\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$K_{\phi ,S}^{0}$$\end{document}) parameters and their variation tendencies were considered in terms of the interactions between solute and solvent.
Infinite dilution limiting apparent molar volume (Vϕ0\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$V_{\phi }^{0}$$\end{document}) and limiting apparent molar isentropic compression (Kϕ,S0\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$K_{\phi ,S}^{0}$$\end{document}) parameters and their variation tendencies were considered in terms of the interactions between solute and solvent.
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Infinite Dilution sentence examples within excess partial molar
The excess partial molar volumes, V ¯ m,1 E and V ¯ m,2 E and excess partial molar isentropic compressibility, K ¯ s,m,1 E and K ¯ s,m,2 E , excess partial molar volumes, V ¯ m , 1 ° E and V ¯ m , 2 ° E and excess partial molar isentropic compressibility, K ¯ s , m , 1 ° E and K ¯ s , m , 2 ° E of the components at infinite dilution also been measured.
The excess partial molar volumes, V ¯ m,1 E and V ¯ m,2 E and excess partial molar isentropic compressibility, K ¯ s,m,1 E and K ¯ s,m,2 E , excess partial molar volumes, V ¯ m , 1 ° E and V ¯ m , 2 ° E and excess partial molar isentropic compressibility, K ¯ s , m , 1 ° E and K ¯ s , m , 2 ° E of the components at infinite dilution also been measured.
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The excess partial molar volumes, V ¯ m , 1 E and V ¯ m,2 E ; excess partial molar isentropic compressibilities, K ¯ s,m,1 E and K ¯ s,m,2 E ; excess partial molar volumes, V ¯ m , 1 ° E and V ¯ m , 2 ° E ; excess partial molar isentropic compressibilities, K ¯ s , m , 1 ° E and K ¯ s , m , 2 ° E of the components at infinite dilution also been measured.
The excess partial molar volumes, V ¯ m , 1 E and V ¯ m,2 E ; excess partial molar isentropic compressibilities, K ¯ s,m,1 E and K ¯ s,m,2 E ; excess partial molar volumes, V ¯ m , 1 ° E and V ¯ m , 2 ° E ; excess partial molar isentropic compressibilities, K ¯ s , m , 1 ° E and K ¯ s , m , 2 ° E of the components at infinite dilution also been measured.
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Infinite Dilution sentence examples within partial molar isentropic
The partial molar isentropic compressions, K ¯ s,m,1 and K ¯ s,m,2 , and excess partial molar isentropic compressions, K ¯ s,m,1 E and K ¯ s,m,2 E over the whole composition range, partial molar isentropic compressions, K ¯ s,m,1 ° and K ¯ s,m,2 ° , and excess partial molar isentropic compressions, K ¯ s,m,1 ° E and K ¯ s,m,2 ° E of the components at infinite dilution have also been calculated.
The partial molar isentropic compressions, K ¯ s,m,1 and K ¯ s,m,2 , and excess partial molar isentropic compressions, K ¯ s,m,1 E and K ¯ s,m,2 E over the whole composition range, partial molar isentropic compressions, K ¯ s,m,1 ° and K ¯ s,m,2 ° , and excess partial molar isentropic compressions, K ¯ s,m,1 ° E and K ¯ s,m,2 ° E of the components at infinite dilution have also been calculated.
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Infinite Dilution sentence examples within At Infinite Dilution
At infinite dilution, CO2 solubility dependence upon temperature in each DES was examined by means of Henry’s Law constants.
At infinite dilution, CO2 solubility dependence upon temperature in each DES was examined by means of Henry’s Law constants.
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At infinite dilution the derived total effective solvation numbers, Zt, extrapolate to ∼8 − 9 DMSO per ethaline, ∼16 per glyceline and ∼7 − 8 per reline unit but numbers decrease rapidly with rising DES mole fraction.
At infinite dilution the derived total effective solvation numbers, Zt, extrapolate to ∼8 − 9 DMSO per ethaline, ∼16 per glyceline and ∼7 − 8 per reline unit but numbers decrease rapidly with rising DES mole fraction.
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Infinite Dilution sentence examples within infinite dilution activity
Based on the COSMO-SAC model, the infinite dilution activity coefficients of the components were calculated, and the potential extractant was further determined.
Based on the COSMO-SAC model, the infinite dilution activity coefficients of the components were calculated, and the potential extractant was further determined.
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The objective of this study was to develop a robust prediction model for the infinite dilution activity coefficients (γ∞) of organic molecules in diverse ionic liquid (IL) solvents.
The objective of this study was to develop a robust prediction model for the infinite dilution activity coefficients (γ∞) of organic molecules in diverse ionic liquid (IL) solvents.
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Infinite Dilution sentence examples within infinite dilution apparent
The infinite dilution apparent molar volumes, Vϕ/m3·mol−1, and limiting apparent molar expansibility, E Φ 0 / c m 3 · m o l - 1 · K - 1 , have been obtained and discussed from the RRM equation and polynomial equation.
The infinite dilution apparent molar volumes, Vϕ/m3·mol−1, and limiting apparent molar expansibility, E Φ 0 / c m 3 · m o l - 1 · K - 1 , have been obtained and discussed from the RRM equation and polynomial equation.
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The infinite dilution apparent molar volume, V 2 , φ 0 , transfer volume, Δ t V 0 , hydration number, nH and infinite dilution apparent molar expansibility, E φ 0 of amino acids in aqueous [Dom][Sal] solution were derived from the measured density data.
The infinite dilution apparent molar volume, V 2 , φ 0 , transfer volume, Δ t V 0 , hydration number, nH and infinite dilution apparent molar expansibility, E φ 0 of amino acids in aqueous [Dom][Sal] solution were derived from the measured density data.
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Infinite Dilution sentence examples within infinite dilution solution
The infinite dilution solution enthalpies of chloroform in diethyl ether, diglyme, 1,4-dioxane, tetrahydrofuran, 12-crown-4 and 15-crown-5 were measured at 298.
The infinite dilution solution enthalpies of chloroform in diethyl ether, diglyme, 1,4-dioxane, tetrahydrofuran, 12-crown-4 and 15-crown-5 were measured at 298.
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The infinite dilution solution enthalpies of ethers in cyclohexane, carbon tetrachloride, benzene, ethyl acetate, N,N-dimethylformamide, dimethylsulfoxide, acetone, pyridine, chloroform and methanol were measured at 298.
The infinite dilution solution enthalpies of ethers in cyclohexane, carbon tetrachloride, benzene, ethyl acetate, N,N-dimethylformamide, dimethylsulfoxide, acetone, pyridine, chloroform and methanol were measured at 298.
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Infinite Dilution sentence examples within infinite dilution condition
Here, we discuss the ability of a full polarizable hybrid approach coupled to a standard molecular dynamics scheme to model the behavior in the aqueous phase and at infinite dilution conditions of a standard hydrophobic polyelectrolyte polymer whose charge is neutralized by explicit counterions.
Here, we discuss the ability of a full polarizable hybrid approach coupled to a standard molecular dynamics scheme to model the behavior in the aqueous phase and at infinite dilution conditions of a standard hydrophobic polyelectrolyte polymer whose charge is neutralized by explicit counterions.
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The top 20 MOF membranes that exceed the polymeric membranes’ upper bound for H2/N2 separation were identified based on the results of initial screening performed at infinite dilution condition.
The top 20 MOF membranes that exceed the polymeric membranes’ upper bound for H2/N2 separation were identified based on the results of initial screening performed at infinite dilution condition.
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Infinite Dilution sentence examples within infinite dilution v
To gain further insight the derived parameters such as apparent molar volumes V ϕ , apparent molar isentropic compressibilities K s ϕ , and their infinite parameters mainly limiting apparent molar volumes at infinite dilution V ϕ o , limiting apparent molar expansibilities E ϕ o , limiting isentropic compression K ϕ o , molar refraction R m and infinite molar conductance m o values have been calculated.
To gain further insight the derived parameters such as apparent molar volumes V ϕ , apparent molar isentropic compressibilities K s ϕ , and their infinite parameters mainly limiting apparent molar volumes at infinite dilution V ϕ o , limiting apparent molar expansibilities E ϕ o , limiting isentropic compression K ϕ o , molar refraction R m and infinite molar conductance m o values have been calculated.
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Apparent molar volumes Vφ,m and partial molar volumes at infinite dilution V∞ were calculated from the experimental results.
Apparent molar volumes Vφ,m and partial molar volumes at infinite dilution V∞ were calculated from the experimental results.
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Infinite Dilution sentence examples within infinite dilution also
The excess partial molar volumes, V ¯ m,1 E and V ¯ m,2 E and excess partial molar isentropic compressibility, K ¯ s,m,1 E and K ¯ s,m,2 E , excess partial molar volumes, V ¯ m , 1 ° E and V ¯ m , 2 ° E and excess partial molar isentropic compressibility, K ¯ s , m , 1 ° E and K ¯ s , m , 2 ° E of the components at infinite dilution also been measured.
The excess partial molar volumes, V ¯ m,1 E and V ¯ m,2 E and excess partial molar isentropic compressibility, K ¯ s,m,1 E and K ¯ s,m,2 E , excess partial molar volumes, V ¯ m , 1 ° E and V ¯ m , 2 ° E and excess partial molar isentropic compressibility, K ¯ s , m , 1 ° E and K ¯ s , m , 2 ° E of the components at infinite dilution also been measured.
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The excess partial molar volumes, V ¯ m , 1 E and V ¯ m,2 E ; excess partial molar isentropic compressibilities, K ¯ s,m,1 E and K ¯ s,m,2 E ; excess partial molar volumes, V ¯ m , 1 ° E and V ¯ m , 2 ° E ; excess partial molar isentropic compressibilities, K ¯ s , m , 1 ° E and K ¯ s , m , 2 ° E of the components at infinite dilution also been measured.
The excess partial molar volumes, V ¯ m , 1 E and V ¯ m,2 E ; excess partial molar isentropic compressibilities, K ¯ s,m,1 E and K ¯ s,m,2 E ; excess partial molar volumes, V ¯ m , 1 ° E and V ¯ m , 2 ° E ; excess partial molar isentropic compressibilities, K ¯ s , m , 1 ° E and K ¯ s , m , 2 ° E of the components at infinite dilution also been measured.
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Infinite Dilution sentence examples within infinite dilution partition
To quantify the film saturation dynamics and model the absorption of BTEX analyte molecules into the bulk of the sensing film, a diffusion study was performed in which the frequency–time curve obtained via QCM was correlated with gas-phase analyte composition and the infinite dilution partition coefficients of each constituent.
To quantify the film saturation dynamics and model the absorption of BTEX analyte molecules into the bulk of the sensing film, a diffusion study was performed in which the frequency–time curve obtained via QCM was correlated with gas-phase analyte composition and the infinite dilution partition coefficients of each constituent.
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Infinite dilution partition coefficients, Kp,0, of a series of unbranched perfluoralkylacids, PFAAs with 3 to 8 CF2 units between water and commercially available weak anion exchange (WAX) and strong anion.
Infinite dilution partition coefficients, Kp,0, of a series of unbranched perfluoralkylacids, PFAAs with 3 to 8 CF2 units between water and commercially available weak anion exchange (WAX) and strong anion.
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10.1515/ract-2020-0083
We constrained the stability constants for UO2C2O4(aq) and UO2(C2O4)22− at infinite dilution based on our evaluation of the literature data over a wide range of ionic strengths up to ∼11 mol•kg−1.
We constrained the stability constants for UO2C2O4(aq) and UO2(C2O4)22− at infinite dilution based on our evaluation of the literature data over a wide range of ionic strengths up to ∼11 mol•kg−1.
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10.1186/s40538-021-00229-4
The first was determined on the basis of the extrapolation of infinite dilution, second was determined as their average value in the region of high concentrations in which it was constant.
The first was determined on the basis of the extrapolation of infinite dilution, second was determined as their average value in the region of high concentrations in which it was constant.
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10.1016/j.seppur.2020.117919
Based on the COSMO-SAC model, the infinite dilution activity coefficients of the components were calculated, and the potential extractant was further determined.
Based on the COSMO-SAC model, the infinite dilution activity coefficients of the components were calculated, and the potential extractant was further determined.
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10.1016/J.MOLLIQ.2021.115387
For this purpose, a combination of 40 cation (involving imidazolium, pyridinium, pyrrolidinium, ammonium and phosphonium) and 20 different anions in 800 possible combinations were screened via COSMO-RS to predict their selectivity and capacity at infinite dilution for phenolic compounds removal.
For this purpose, a combination of 40 cation (involving imidazolium, pyridinium, pyrrolidinium, ammonium and phosphonium) and 20 different anions in 800 possible combinations were screened via COSMO-RS to predict their selectivity and capacity at infinite dilution for phenolic compounds removal.
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10.1016/j.jmr.2021.106944
However, past papers are referenced to TlNO3 solution in water at infinite dilution.
However, past papers are referenced to TlNO3 solution in water at infinite dilution.
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10.1021/acs.jctc.1c00690
In this work, we systematically assess the quality of the Sternheimer approximation as well as the impact of the classical force field (FF) on the NMR relaxation rates of aqueous quadrupolar ions at infinite dilution.
In this work, we systematically assess the quality of the Sternheimer approximation as well as the impact of the classical force field (FF) on the NMR relaxation rates of aqueous quadrupolar ions at infinite dilution.
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10.1021/acs.langmuir.0c03475
In addition, the pseudophase-water partition coefficients, Kx, the free energies of transfer of perfume from bulk water to the MBP-pseudophase, ΔGt, and the intra-aggregate activity coefficients, γm∞, at infinite dilution were also determined.
In addition, the pseudophase-water partition coefficients, Kx, the free energies of transfer of perfume from bulk water to the MBP-pseudophase, ΔGt, and the intra-aggregate activity coefficients, γm∞, at infinite dilution were also determined.
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10.1063/5.0056508
Here, we discuss the ability of a full polarizable hybrid approach coupled to a standard molecular dynamics scheme to model the behavior in the aqueous phase and at infinite dilution conditions of a standard hydrophobic polyelectrolyte polymer whose charge is neutralized by explicit counterions.
Here, we discuss the ability of a full polarizable hybrid approach coupled to a standard molecular dynamics scheme to model the behavior in the aqueous phase and at infinite dilution conditions of a standard hydrophobic polyelectrolyte polymer whose charge is neutralized by explicit counterions.
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10.1134/S0036024421070116
The diffusion and local structure of eight normal alkanols in 1-octanol at infinite dilution from 298 to 370 K have been investigated via molecular dynamics simulation.
The diffusion and local structure of eight normal alkanols in 1-octanol at infinite dilution from 298 to 370 K have been investigated via molecular dynamics simulation.
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10.3906/kim-2007-64
Flory–Huggins interaction parameter and weight fraction activity coefficient at infinite dilution were researched for BDBB.
Flory–Huggins interaction parameter and weight fraction activity coefficient at infinite dilution were researched for BDBB.
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10.1007/s12517-021-08434-z
It was found that the absolute value of the solution enthalpies at infinite dilution increases with the substitution rate in all studied britholites.
It was found that the absolute value of the solution enthalpies at infinite dilution increases with the substitution rate in all studied britholites.
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10.1016/J.MOLLIQ.2021.115406
The extraction performance of the solvents was interpreted by the analysis of activity coefficient at infinite dilution (γ∞).
The extraction performance of the solvents was interpreted by the analysis of activity coefficient at infinite dilution (γ∞).
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10.1016/j.reactfunctpolym.2020.104799
The infinite dilution permeability coefficient of CO2 at 298 K was found identical to 2.
The infinite dilution permeability coefficient of CO2 at 298 K was found identical to 2.
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10.1248/bpb.b20-01013
The efflux of glycylsarcosine (Gly-Sar), a typical substrate for hPEPT1, was determined using an infinite dilution method after cells were preloaded with [3H]-Gly-Sar.
The efflux of glycylsarcosine (Gly-Sar), a typical substrate for hPEPT1, was determined using an infinite dilution method after cells were preloaded with [3H]-Gly-Sar.
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10.1016/J.SUPFLU.2021.105321
The infinite dilution binary diffusion coefficients (D12) of acetylferrocene and 1,1′-diacetylferrocene were measured in supercritical carbon dioxide (scCO2) at (313, 353, 363 and 373) K and at pressures from (11 to 26) MPa using the chromatographic impulse response method, and in atmospheric-pressure liquid organic solvents such as acetone at 303 K, methanol at (313, 323, and 333) K and ethanol at (323 and 333) K using the Taylor dispersion method.
The infinite dilution binary diffusion coefficients (D12) of acetylferrocene and 1,1′-diacetylferrocene were measured in supercritical carbon dioxide (scCO2) at (313, 353, 363 and 373) K and at pressures from (11 to 26) MPa using the chromatographic impulse response method, and in atmospheric-pressure liquid organic solvents such as acetone at 303 K, methanol at (313, 323, and 333) K and ethanol at (323 and 333) K using the Taylor dispersion method.
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10.1016/J.COLSURFA.2021.126317
The non-random liquid equation (NTRL) was utilized to correlate measured experimental LLE results, prediction of activity coefficient at infinite dilution (γ∞) and capacity of solvent for solute (C∞).
The non-random liquid equation (NTRL) was utilized to correlate measured experimental LLE results, prediction of activity coefficient at infinite dilution (γ∞) and capacity of solvent for solute (C∞).
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10.1021/acsomega.1c01690
The objective of this study was to develop a robust prediction model for the infinite dilution activity coefficients (γ∞) of organic molecules in diverse ionic liquid (IL) solvents.
The objective of this study was to develop a robust prediction model for the infinite dilution activity coefficients (γ∞) of organic molecules in diverse ionic liquid (IL) solvents.
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10.1021/acsomega.1c04247
In this work, the capacity and selectivity for m-cresol, as well as the solubility of cumene and dodecane in different IL–H2O mixtures, were firstly calculated by the conductor-like screening model for real solvents (COSMO-RS) at infinite dilution.
In this work, the capacity and selectivity for m-cresol, as well as the solubility of cumene and dodecane in different IL–H2O mixtures, were firstly calculated by the conductor-like screening model for real solvents (COSMO-RS) at infinite dilution.
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10.3390/molecules26195873
The approach is based on activity coefficients at infinite dilution of volatile organic solutes in ionic liquids bearing the imidazolium cation of the general formula [Cnmim][Anion].
The approach is based on activity coefficients at infinite dilution of volatile organic solutes in ionic liquids bearing the imidazolium cation of the general formula [Cnmim][Anion].
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10.1134/S0040579521010127
Henry’s law constant and some thermodynamic properties such as enthalpy $$(\Delta {{H}^{\infty }})$$ and entropy $$(\Delta {{S}^{\infty }})$$ in infinite dilution are calculated.
Henry’s law constant and some thermodynamic properties such as enthalpy $$(\Delta {{H}^{\infty }})$$ and entropy $$(\Delta {{S}^{\infty }})$$ in infinite dilution are calculated.
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10.1016/J.FLUID.2021.112969
We present a novel molecular thermodynamic framework for the unambiguous assessment of the reliability of modeling approximations, their internal consistency, and the compliance with fundamental limiting behaviors in the description of solvation phenomena of species at infinite dilution in fluid systems over wide ranges of state conditions and solute-solvent intermolecular asymmetries.
We present a novel molecular thermodynamic framework for the unambiguous assessment of the reliability of modeling approximations, their internal consistency, and the compliance with fundamental limiting behaviors in the description of solvation phenomena of species at infinite dilution in fluid systems over wide ranges of state conditions and solute-solvent intermolecular asymmetries.
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10.1007/s10953-021-01059-6
The infinite dilution solution enthalpies of chloroform in diethyl ether, diglyme, 1,4-dioxane, tetrahydrofuran, 12-crown-4 and 15-crown-5 were measured at 298.
The infinite dilution solution enthalpies of chloroform in diethyl ether, diglyme, 1,4-dioxane, tetrahydrofuran, 12-crown-4 and 15-crown-5 were measured at 298.
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10.1016/b978-0-323-88506-5.50054-1
(2) The infinite dilution capacity and selectivity of different components for the α-tocopherol/methyllinoleate extraction are predicted to estimate their potential for the separation task.
(2) The infinite dilution capacity and selectivity of different components for the α-tocopherol/methyllinoleate extraction are predicted to estimate their potential for the separation task.
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10.1016/J.CES.2021.116754
15 K and electrolyte concentrations from infinite dilution to salt saturation.
15 K and electrolyte concentrations from infinite dilution to salt saturation.
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10.1021/acs.jpca.0c11328
We estimated saturation vapor pressures and activity coefficients (at infinite dilution in water and a model water-insoluble organic phase) of cyclohexene- and α-pinene-derived accretion products, “dimers”, using the COSMOtherm19 program.
We estimated saturation vapor pressures and activity coefficients (at infinite dilution in water and a model water-insoluble organic phase) of cyclohexene- and α-pinene-derived accretion products, “dimers”, using the COSMOtherm19 program.
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10.1021/acs.accounts.1c00107
We will demonstrate that accurately describing the SR interaction is imperative for predicting both intrinsic properties, namely, at infinite dilution, and collective properties of electrolyte solutions.
We will demonstrate that accurately describing the SR interaction is imperative for predicting both intrinsic properties, namely, at infinite dilution, and collective properties of electrolyte solutions.
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10.1016/J.MOLLIQ.2020.115273
The activity coefficients at infinite dilution and excess thermodynamic functions of the compound in eaсh solvent were calculated.
The activity coefficients at infinite dilution and excess thermodynamic functions of the compound in eaсh solvent were calculated.
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10.5194/egusphere-egu21-11528
The surface activity characterizes the process of the surface layer formation of a surfactant solution at the air–water interface with an infinite dilution.
The surface activity characterizes the process of the surface layer formation of a surfactant solution at the air–water interface with an infinite dilution.
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10.21608/EJCHEM.2021.67200.3448
16 K and the conductivity parameters: Association constant (KA), equivalent conductance at infinite dilution (Λo) and the distance parameter (R).
16 K and the conductivity parameters: Association constant (KA), equivalent conductance at infinite dilution (Λo) and the distance parameter (R).
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10.1093/chromsci/bmab066
We confirmed the dependence of the dispersive component of the surface energy on the variations of the surface areas of organic molecules used in IGC technique at infinite dilution.
We confirmed the dependence of the dispersive component of the surface energy on the variations of the surface areas of organic molecules used in IGC technique at infinite dilution.
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10.1016/J.MOLLIQ.2021.116272
Solvation is modeled as a linear decline from infinite dilution solvation (hydration) values to empirically determined saturation solvation (hydration) values.
Solvation is modeled as a linear decline from infinite dilution solvation (hydration) values to empirically determined saturation solvation (hydration) values.
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10.1016/J.MOLLIQ.2021.115884
A comparative study was done from the perspective of sigma profile, sigma potential and activity coefficient at infinite dilution of heavy metal ions (Fe3+, Ni2+, Cu2+, and Pb2+) using COSMO-RS and proposed research experiments were on characterization and performance of electrospun Nylon 6,6 NFM and with five different molar ratios between choline hydroxide and glycine as AAILs with 1:1, 1:2, 1:3, 1:4, and 1:5 for copper removal.
A comparative study was done from the perspective of sigma profile, sigma potential and activity coefficient at infinite dilution of heavy metal ions (Fe3+, Ni2+, Cu2+, and Pb2+) using COSMO-RS and proposed research experiments were on characterization and performance of electrospun Nylon 6,6 NFM and with five different molar ratios between choline hydroxide and glycine as AAILs with 1:1, 1:2, 1:3, 1:4, and 1:5 for copper removal.
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10.1016/J.ARABJC.2021.103040
The activity coefficients of the solvents at infinite dilution were calculated and compared with those obtained by fitting the non-random two-liquid and universal quasichemical models.
The activity coefficients of the solvents at infinite dilution were calculated and compared with those obtained by fitting the non-random two-liquid and universal quasichemical models.
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10.1016/J.MOLLIQ.2021.115524
The model accurately correlates the IL dissociation and VLE data in the entire concentration range from pure IL to infinite dilution aqueous solution.
The model accurately correlates the IL dissociation and VLE data in the entire concentration range from pure IL to infinite dilution aqueous solution.
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10.1016/J.COLSURFA.2021.126472
Experiments with two silica materials have been conducted at infinite dilution to determine the dispersive component of the surface energy ( γ s d ) as well as the specific component ( γ s sp ) using the van Oss theory and a least-squares procedure evaluating the IGC data of 8 polar probe molecules collectively (instead of evaluating only the data of a pair of monopolar probes as is often the case in IGC studies).
Experiments with two silica materials have been conducted at infinite dilution to determine the dispersive component of the surface energy ( γ s d ) as well as the specific component ( γ s sp ) using the van Oss theory and a least-squares procedure evaluating the IGC data of 8 polar probe molecules collectively (instead of evaluating only the data of a pair of monopolar probes as is often the case in IGC studies).
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10.1039/d1cp02591k
To model the activity coefficient at infinite dilution for the binary mixtures, a 3-suffix Margules (3sM) function is introduced for the quantitative estimation of the asymmetric interactions and, for the combinatorial term, the Staverman-Guggenheim (SG) form is used.
To model the activity coefficient at infinite dilution for the binary mixtures, a 3-suffix Margules (3sM) function is introduced for the quantitative estimation of the asymmetric interactions and, for the combinatorial term, the Staverman-Guggenheim (SG) form is used.
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10.1007/s10953-021-01096-1
The infinite dilution activity coefficients and activity coefficients of components of the SiCl4–CS2 and SiCl4–C2H4Cl2 binary systems were calculated.
The infinite dilution activity coefficients and activity coefficients of components of the SiCl4–CS2 and SiCl4–C2H4Cl2 binary systems were calculated.
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10.1016/J.MOLLIQ.2021.115590
The experimental vaporization enthalpies were compared with theoretical values available in the literature, as well as with empirical values derived from a gas-liquid-chromatographic method based on activity coefficients at infinite dilution.
The experimental vaporization enthalpies were compared with theoretical values available in the literature, as well as with empirical values derived from a gas-liquid-chromatographic method based on activity coefficients at infinite dilution.
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10.1016/j.chroma.2021.461964
Some of the main types of physicochemical properties of ionic liquids accessible using gas chromatography include gas-liquid partition constants, infinite dilution activity coefficients, partial molar quantities, solubility parameters, system constants of the solvation parameter model, thermal stability, transport properties, and catalytic and other surface properties.
Some of the main types of physicochemical properties of ionic liquids accessible using gas chromatography include gas-liquid partition constants, infinite dilution activity coefficients, partial molar quantities, solubility parameters, system constants of the solvation parameter model, thermal stability, transport properties, and catalytic and other surface properties.
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10.1007/s10953-021-01104-4
A gas chromatographic headspace analysis method was used to experimentally determine gas-to-liquid partition coefficients and infinite dilution activity coefficients for two saturated (2,2,4-trimethylpentane, cyclooctane) and 3 unsaturated hydrocarbons (1,7-octadiene, 1-hexyne, 4-vinyl-1-cyclohexene), one aromatic hydrocarbon (propylbenzene), one haloalkane (1,3-dichloropropane) and four halobenzenes (fluorobenzene, chlorobenzene, 1,2-dichlorobenzene, bromobenzene), two cyclic ethers (tetrahydrofuran, 1,4-dioxane), two alcohols (1-propanol, 2-propanol), three alkyl acetates (ethyl acetate, butyl acetate, pentyl acetate), and one alkanenitrile (acetonitrile) dissolved in 2-pyrrolidone at 298.
A gas chromatographic headspace analysis method was used to experimentally determine gas-to-liquid partition coefficients and infinite dilution activity coefficients for two saturated (2,2,4-trimethylpentane, cyclooctane) and 3 unsaturated hydrocarbons (1,7-octadiene, 1-hexyne, 4-vinyl-1-cyclohexene), one aromatic hydrocarbon (propylbenzene), one haloalkane (1,3-dichloropropane) and four halobenzenes (fluorobenzene, chlorobenzene, 1,2-dichlorobenzene, bromobenzene), two cyclic ethers (tetrahydrofuran, 1,4-dioxane), two alcohols (1-propanol, 2-propanol), three alkyl acetates (ethyl acetate, butyl acetate, pentyl acetate), and one alkanenitrile (acetonitrile) dissolved in 2-pyrrolidone at 298.
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10.2139/SSRN.3811810
The heat of absorptions per mole of CO2 at infinite dilution for aqueous solutions of DMAPA and 1MPZ were estimated from the experimental heat of absorption data.
The heat of absorptions per mole of CO2 at infinite dilution for aqueous solutions of DMAPA and 1MPZ were estimated from the experimental heat of absorption data.
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10.3390/s21165667
To quantify the film saturation dynamics and model the absorption of BTEX analyte molecules into the bulk of the sensing film, a diffusion study was performed in which the frequency–time curve obtained via QCM was correlated with gas-phase analyte composition and the infinite dilution partition coefficients of each constituent.
To quantify the film saturation dynamics and model the absorption of BTEX analyte molecules into the bulk of the sensing film, a diffusion study was performed in which the frequency–time curve obtained via QCM was correlated with gas-phase analyte composition and the infinite dilution partition coefficients of each constituent.
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10.31219/osf.io/xjk2y
We apply the new approach to predict activity coefficients at infinite dilution and obtain significant improvements compared to the physical and data-driven baselines and established ensemble methods from the machine learning literature.
We apply the new approach to predict activity coefficients at infinite dilution and obtain significant improvements compared to the physical and data-driven baselines and established ensemble methods from the machine learning literature.
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10.1016/J.GEE.2021.02.008
The infinite dilution activity coefficients of 100 ionic liquids with a combination of 10 cations and 10 anions were calculated by COSMO-SAC model, and the σ-profiles were plotted.
The infinite dilution activity coefficients of 100 ionic liquids with a combination of 10 cations and 10 anions were calculated by COSMO-SAC model, and the σ-profiles were plotted.
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10.1007/s10953-021-01114-2
Successively, by means of a Debye–Hückel type equation, the corresponding hydronation constants at infinite dilution and the parameters for the dependence on the ionic strength were calculated, as well as the enthalpy change values of hydronation at infinite dilution.
Successively, by means of a Debye–Hückel type equation, the corresponding hydronation constants at infinite dilution and the parameters for the dependence on the ionic strength were calculated, as well as the enthalpy change values of hydronation at infinite dilution.
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10.1016/J.FLUID.2021.112992
The NRTL model predicts well the VLE data, the SLE data, the calorimetric data and the activity coefficient of PZ at infinite dilution in water.
The NRTL model predicts well the VLE data, the SLE data, the calorimetric data and the activity coefficient of PZ at infinite dilution in water.
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10.1016/J.FLUID.2021.112967
The new methodology was validated against infinite dilution properties for ion-solvent interactions: Gibbs energy of hydration and Gibbs energy of transfer of alkali halides from water to alcoholic solvents.
The new methodology was validated against infinite dilution properties for ion-solvent interactions: Gibbs energy of hydration and Gibbs energy of transfer of alkali halides from water to alcoholic solvents.
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10.1039/d0cp05861k
2, a progressive decrease in δexp(OH) was observed which demonstrates a decrease in hydrogen bond interactions at infinite dilution in H2O, despite the increase in the number of available hydrogen bond acceptor and donor sites.
2, a progressive decrease in δexp(OH) was observed which demonstrates a decrease in hydrogen bond interactions at infinite dilution in H2O, despite the increase in the number of available hydrogen bond acceptor and donor sites.
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10.1134/S0040579521040199
Using gas–liquid chromatography, the activity coefficients upon the infinite dilution of the components of the reaction mixture for obtaining cyclohexanone in the presence of various ionic liquids are determined.
Using gas–liquid chromatography, the activity coefficients upon the infinite dilution of the components of the reaction mixture for obtaining cyclohexanone in the presence of various ionic liquids are determined.
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10.1016/J.SEPPUR.2021.118727
The infinite dilution activity coefficient, γ i ∞ , is a frequently used molecular descriptor to pre-select a solvent for various kinds of fluid separations.
The infinite dilution activity coefficient, γ i ∞ , is a frequently used molecular descriptor to pre-select a solvent for various kinds of fluid separations.
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10.1016/J.TCA.2021.178932
The infinite dilution solution enthalpies of ethers in cyclohexane, carbon tetrachloride, benzene, ethyl acetate, N,N-dimethylformamide, dimethylsulfoxide, acetone, pyridine, chloroform and methanol were measured at 298.
The infinite dilution solution enthalpies of ethers in cyclohexane, carbon tetrachloride, benzene, ethyl acetate, N,N-dimethylformamide, dimethylsulfoxide, acetone, pyridine, chloroform and methanol were measured at 298.
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10.1186/s13321-021-00562-8
The most promising approach is a straightforward comparison of selectivity at infinite dilution between potential candidates.
The most promising approach is a straightforward comparison of selectivity at infinite dilution between potential candidates.
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10.3390/molecules26051411
The infinite dilution solution enthalpies of δ-valerolactam, N-methylvalerolactam, ε-caprolactam, and N-methylcaprolactam were measured at 298.
The infinite dilution solution enthalpies of δ-valerolactam, N-methylvalerolactam, ε-caprolactam, and N-methylcaprolactam were measured at 298.
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10.1088/2053-1591/ac1005
Molar activation energies at infinite dilution were deduced from different methods, activation parameters and partial molar Gibbs energy of activation for viscous flow against compositions were investigated.
Molar activation energies at infinite dilution were deduced from different methods, activation parameters and partial molar Gibbs energy of activation for viscous flow against compositions were investigated.
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10.1039/D1FD00005E
The proposed screening strategy is based on initial structural analysis and predictions of the single-component permeation of CO2, CH4 and H2S from adsorption and diffusion calculations at infinite dilution.
The proposed screening strategy is based on initial structural analysis and predictions of the single-component permeation of CO2, CH4 and H2S from adsorption and diffusion calculations at infinite dilution.
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10.1016/J.PSEP.2020.09.014
Based on the COSMO-SAC model, the infinite dilution activity coefficients of the components were calculated, and the final solvent was further obtained by relative volatility and solvent power screening.
Based on the COSMO-SAC model, the infinite dilution activity coefficients of the components were calculated, and the final solvent was further obtained by relative volatility and solvent power screening.
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10.1016/j.jcis.2021.06.015
Small-angle neutron scattering experiments of deuterated PEG in hydrogenous [Ch][AA] aqueous solutions were performed to determine the polymer radius of gyration at infinite dilution (Rg,0) via Zimm-plots.
Small-angle neutron scattering experiments of deuterated PEG in hydrogenous [Ch][AA] aqueous solutions were performed to determine the polymer radius of gyration at infinite dilution (Rg,0) via Zimm-plots.
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10.1007/S10765-020-02789-3
The basic data used to determine the interaction parameters are VLE, HE and infinite dilution activity coefficient data.
The basic data used to determine the interaction parameters are VLE, HE and infinite dilution activity coefficient data.
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10.1016/J.MICROC.2021.106780
In addition, quantum chemical-based conductor-like screening model for realistic solvents (COSMO-RS) software was used to predict the molecular interaction between low transition temperature mixtures (LTTMs) and pyrethroids based on their σ-profile, σ-potentials, and activity coefficient at infinite dilution.
In addition, quantum chemical-based conductor-like screening model for realistic solvents (COSMO-RS) software was used to predict the molecular interaction between low transition temperature mixtures (LTTMs) and pyrethroids based on their σ-profile, σ-potentials, and activity coefficient at infinite dilution.
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10.1016/J.SEPPUR.2021.119230
The method uses the three-component Margules equation, which can predict vapor–liquid equilibria (VLE) in ternary systems with the infinite dilution activity coefficients, γ i ∞ , as sole input parameters.
The method uses the three-component Margules equation, which can predict vapor–liquid equilibria (VLE) in ternary systems with the infinite dilution activity coefficients, γ i ∞ , as sole input parameters.
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10.1016/j.fluid.2020.112872
Fugacity coefficients of twelve polar or aromatic species at infinite dilution in water (H2S, benzene C6H6, toluene C7H8, methanethiol CH3SH, SO2, HCN, acetone (CH3)2CO, NH3, methylamine CH3NH2, methanol CH3OH, ethanol C2H5OH and phenol C6H5OH) have been evaluated from ambient conditions (298 K, 0.
Fugacity coefficients of twelve polar or aromatic species at infinite dilution in water (H2S, benzene C6H6, toluene C7H8, methanethiol CH3SH, SO2, HCN, acetone (CH3)2CO, NH3, methylamine CH3NH2, methanol CH3OH, ethanol C2H5OH and phenol C6H5OH) have been evaluated from ambient conditions (298 K, 0.
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10.1016/J.FLUID.2021.113088
The quality of experimental data were checked using different thermodynamic consistency tests, including Herington test, Van Ness test, point test, infinite dilution test, EOS test and endpoint test.
The quality of experimental data were checked using different thermodynamic consistency tests, including Herington test, Van Ness test, point test, infinite dilution test, EOS test and endpoint test.
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10.1039/d0cp05439a
For supporting these data, we determined the vaporization enthalpies additionally from experimental activity coefficients at infinite dilution.
For supporting these data, we determined the vaporization enthalpies additionally from experimental activity coefficients at infinite dilution.
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10.3390/CHEMENGINEERING5010006
The hydrodynamic diameter of laponite extrapolated to infinite dilution indicates that this clay is completely exfoliated.
The hydrodynamic diameter of laponite extrapolated to infinite dilution indicates that this clay is completely exfoliated.
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10.1088/1742-6596/1879/2/022068
The experimental data were treated by the Lee-Wheaton conductivity equation of unsymmetrical electrolytes (1:2) (1 molecule of metal with 2 molecules of ligand) derived to calculate the conductivity parameters, equivalent conductance at infinite dilution Λₒ, ionic conductivity, association constant Ka and the main distance between ions in solution( R) at best fit values of (6Λ).
The experimental data were treated by the Lee-Wheaton conductivity equation of unsymmetrical electrolytes (1:2) (1 molecule of metal with 2 molecules of ligand) derived to calculate the conductivity parameters, equivalent conductance at infinite dilution Λₒ, ionic conductivity, association constant Ka and the main distance between ions in solution( R) at best fit values of (6Λ).
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10.1016/J.MOLLIQ.2021.116778
The infinite dilution activity coefficients of artemisinin in 903 ILs, composed by 43 cations and 21 anions, were calculated by COSMO-RS, and the results implied that the solubility of artemisinin in ILs mainly depends on the anions.
The infinite dilution activity coefficients of artemisinin in 903 ILs, composed by 43 cations and 21 anions, were calculated by COSMO-RS, and the results implied that the solubility of artemisinin in ILs mainly depends on the anions.
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10.1016/J.JCT.2021.106450
The effect of increasing temperature and pressure is studied for aqueous guanidinium chloride (GdmCl) at infinite dilutions.
The effect of increasing temperature and pressure is studied for aqueous guanidinium chloride (GdmCl) at infinite dilutions.
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10.1088/1361-648X/abf6e2
If the CG polymers interact solely through two-body potentials, then the films and droplets either dissolve or collapse into small aggregates, depending on whether the effective polymer–polymer interactions have been determined from reference simulations in the bulk or at infinite dilution.
If the CG polymers interact solely through two-body potentials, then the films and droplets either dissolve or collapse into small aggregates, depending on whether the effective polymer–polymer interactions have been determined from reference simulations in the bulk or at infinite dilution.
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10.3389/fphy.2021.635269
The dynamics of colloidal particles at infinite dilution, under the influence of periodic external potentials, is studied here via experiments and numerical simulations for two representative potentials.
The dynamics of colloidal particles at infinite dilution, under the influence of periodic external potentials, is studied here via experiments and numerical simulations for two representative potentials.
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10.3390/molecules26164759
The activity coefficients at infinite dilution and dissolution excess thermodynamic functions of IVZ were calculated in each of the solvents.
The activity coefficients at infinite dilution and dissolution excess thermodynamic functions of IVZ were calculated in each of the solvents.
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