Ethyl lactate is a green, and economically viable, alternative to traditional solvents whose extensive use scale-up industrial level requires deep accurate knowledge of its properties in wide pressure–temperature ranges. In this work, the pressure–volume–temperature pressure–viscosity–temperature behaviors are reported together with several derived remarkable importance for process design purposes. The structure liquid analyzed at microscopic using Density Functional Theory from classical...

The effect of water on the properties and nanostructuring prototypical choline chloride: ethylene glycol deep eutectic solvent is studied using a combined experimental theoretical approach. reported results showed large hydrophilic character solvent, which based ability molecules to be hydrogen bonded different components in efficient way. fluid largely dependent concentration range but can maintained up reasonably content. Therefore, content these solvents may used for tuning controlling...

The thermophysical properties of the (C1−C11) alkan-1-ol/(C1−C4) alkylbenzoate mixed solvents at atmospheric pressure and 298.15 K were studied over whole composition range. intermolecular interactions structural effects analyzed on basis measured derived properties. From experimental data, parameters extended real associated solution Prigogine−Flory−Patterson models used to correlate interpret excess molar volumes. ability Soave−Redlich−Kwong Peng−Robinson equations state combined with a...

Excess volumes, mixing viscosities, and excess Gibbs energies of activation viscous flow the aqueous binary mixtures amides formamide, N-methylformamide, N,N-dimethylformamide, pyrrolidin-2-one, N-methyl-2-pyrrolidinone were calculated from density viscosity measurements. The values these functions point to strong amide−water interactions with formation a variety aggregates, nature which depends on extent substitution amides; comparison same alkan-1-ols reveal an important hydration effect....

This work reports on a theoretical and experimental study the ionic liquid 1-butyl-3-methylimidazolium octylsulfate ([BMIM]OS). The halogen-free [BMIM]OS is stable solvent regarding hydrolysis, whose availability, toxicologically favourable features well documented biodegradability turns it into suitable candidate for different multiton-scale industrial applications. pressure–volume–temperature behaviour of this fluid has been evaluated accurately over wide ranges temperature pressure,...

A study on the viscosity of eight pyridinium based ionic liquids is reported for wide pressure and temperature ranges. Measurements were performed using an electromagnetic moving piston viscometer. Experimental data fitted to a Tait-like equation demonstrating good correlations, which was used calculate pressure/viscosity temperature/viscosity coefficients. The effect involved anions cation liquid analyzed from molecular viewpoint hole theory, quantum chemistry calculations density...

Dynamic viscosity for twenty-seven ionic liquids involving ions with molecular structures selected to infer the effects of structure on fluids’ is reported in this work as a function temperature. The data are analyzed considering these structural features and fitted according Vogel–Fulcher–Tamman equation. Viscosity were systematically anion cation property. COSMO-RS method was used relationships between level considered families ions. A Quantitative-Structure–Property-Relationship model...

Deep eutectic solvents have gained attention as environmentally friendly alternatives in various technological applications. Likewise, it is known the relevant effect of water on physicochemical properties Eutectics, especially for hydrophilic ones. In this study, Betaine – based type III Eutectic (with ethylene glycol, fructose, malic acid or citric Hydrogen Bond Donors) are considered and structuring solutions (content lower than 20 %) were investigated considering volumetric properties,...

Excess volumes, excess viscosities, and exess Gibbs energies of activation for viscous flow binary liquid mixtures formamide with (C1–C5) alkan-1-ols have been calculated from the densities viscosities measured at 298.15 K over whole composition range. The viscosity–mole fraction data five systems were used to test various empirical laws proposed describe viscosity mixtures: one-parameter models by Nissan–Grunberg, Hind–McLaughlin–Ubbelohde Teja–Rice, two-parameter McAllister, Heric, Lobe,...

Type V natural deep eutectic solvents based on monoterpenoids (cineole, carvone, menthol, and thymol) are studied using a combined experimental molecular modeling approach. The reported physicochemical properties showed low viscous fluids whose were characterized as function of temperature. theoretical study combining quantum chemistry classical dynamics simulations provided nanoscopic characterization the fluids, particularly for hydrogen bonding network its relationship with macroscopic...

Viscosities of some N-methylformamide– and N,N-dimethylformamide–(C 1 –C 10 ) alkan-1-ol binary mixtures have been measured at 298.15 K over the whole composition range. The excess viscosities Gibbs energies activation for viscous flow, compared with values other amide–alcohol mixed solvents, suggest that alcohol size does not play a significant role in mixture behaviour. aliphatic amides gave heteroaggregates to greater extent, lower self-association pure amides. An analysis terms solvent...

Densities, viscosities and refractive indices of the N-methylpyrrolidone + alkan-1-ols (C1–C10) binary systems at 298.15 K atmospheric pressure have been measured over whole composition range; from these measurements values for excess molar volumes, mixing viscosities, internal pressures, Gibbs energies activation viscous flow were calculated. The molecular interactions in mixtures can be interpreted on basis variation functions with mixture composition. cubic equations state proposed by...

As part of a study on the interactions between aromatic esters and n-alkanes, density, viscosity, refractive index data were measured for methylbenzoate−n-alkane mixed solvents. From these data, excess molar volumes ( ), mixing viscosities (Δmixη), Gibbs energies activation viscous flow (Δ indices (ΔmixnD) deduced. volumes, partial two components deduced using intercept method. The cubic equations state (EOS) proposed by Soave−Redlich−Kwong Peng−Robinson combined with simple rules used to...

The considerable interest aroused in recent years by the unique properties and industrial applications of ionic liquids has given rise to need for a detailed statement linkage between their molecular features observed macroscopic behavior. A combined experimental/computational approach study is submitted here applied relevant, nonhalogenated 1,3-dimethylimidazolium methylsulfate 1-ethyl-3-methylimidazolium tosylate. To establish reliable equation state pertinent these fluids, density data...

Two selected ammonium-based ionic liquids, 2-hydroxyethyltrimethylammonium l-(+)-lactate and tris(2-hydroxyethyl)methylammonium methylsulfate, were fully characterized. The most relevant thermophysical properties of pure fluids measured analyzed as a function temperature. Structural features inferred from solvatochromic Fourier transform infrared (FTIR) studies. Moisture absorption ability was also studied by gravimetric, spectroscopic, Karl Fischer methods. Likewise, the water effect on...

In this work, an experimental and computational study on the properties molecular-level liquid structure of γ-butyrolactone γ-valerolactone is reported. These fluids are selected because their possible use as alternative green solvents considering favorable environmental toxicological profiles. The was carried out measuring a collection relevant thermophysical properties, at ambient pressure function temperature, together with detailed spectroscopic study. reported set valuable for process...

The densities and viscosities of the binary mixtures ethylene glycol dimethyl ether (monoglyme) with ethanol, 1-pentanol 1-octanol were measured for whole composition range at (283.15, 293.15, 303.15, 313.15) K normal atmospheric pressure. excess molar volumes have also been obtained each systems temperatures. kinematic viscosity data fitted using a four-body McAllister equation.

The properties of the betaine + lactic acid deep eutectic solvent were studied using combined experimental and computational methods. effects mole ratio, water content, temperature on fluids microscopic structuring analyzed in this work. Computational studies quantum chemistry classical molecular dynamics simulations allowed an analysis characteristics intermolecular forces, particularly for hydrogen bonding, arrangements liquid phases, their role fluid's properties. considered can be...

This work contributes to an improved understanding of the structure and dynamics ester-containing solvents. A broad experimental study has been performed on thermophysical properties (C6−C14) n-alkane + (C1−C4) alkylbenzoate binary solvents over whole composition range within 278.15−318.15 K temperature range. The excess mixing derived were analyzed in terms structural effects intermolecular forces. To put forward reliable models that may describe behavior these complex mixtures, cubic...