Thermophysical properties of N -phenyl- N -ethanol ammonium carboxylate based ionic liquids: Measurements, correlations and COSMO-RS study

Chennuri, Bharath Kumar; Losetty, Venkatramana; Wilfred, Cecilia Devi; Gardas, Ramesh L.

doi:10.1016/j.molliq.2017.06.010

Cited by 9 publications

(6 citation statements)

References 54 publications

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“…A similar observation was found in the studied ILs. With the increase in the alkyl chain length ( n c ) of the carboxylate anion, there was an increase in the standard entropy ( S o ) as seen in other class of ILs, for example, 34.6 J·K –1 ·mol –1 for [C n mim][Ala], 35.09 J·K –1 ·mol –1 for [NMP][carboxylate], and 34.6 J·K –1 ·mol –1 for [C n mim][NTf 2 ] …”

Section: Resultsmentioning

confidence: 97%

“…. 30 The lattice potential energy (U POT ) of the synthesized ILs could be estimated by using a simple MX type (1:1). The U POT for the prepared ILs can be calculated by applying Glasser's theory, by assuming that these ILs are simple MX type salts 29 using eq 5. where U POT is the lattice potential energy, ρ is the density, and M is the molecular mass.…”

Section: Resultsmentioning

confidence: 99%

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Thermophysical Properties and Carbon Dioxide Absorption Studies of Guanidinium-Based Carboxylate Ionic Liquids

Ramkumar

Gardas

2019

J. Chem. Eng. Data

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In this work, five 1,1,3,3-tetramethylguanidine (TMG)-based ionic liquids (ILs) with [TMG] cations as well as monocarboxylic acid anionswhere n = 2, 3, 4, 5, and 6} were synthesized and characterized by 1 H NMR and 13 C NMR. CO 2 absorption capacity was studied for even number carboxylic acid anions [TMG][But], [TMG][Hex], and [TMG][Oct]. The maximum absorption capacity of CO 2 was observed for [TMG][Oct], which clearly indicated that the increase in chain length increases the absorption capacity. The physicochemical properties such as density (ρ), speed of sound (u), viscosity (η) and refractive index (n D ) were measured as a function of temperature over the range from 293.15 to 343.15 K at atmospheric pressure (0.1 MPa). The experimental density values were fitted with a second-order polynomial equation and correlated with the expected density proposed by the Gardas−Coutinho model. The thermodynamic properties, such as thermal expansion coefficient (α), isentropic compressibility (β s ), and free length theory (L f ) were calculated. The strength of ionic interaction between the ions was estimated by calculating lattice potential energy (U POT ) and standard entropy (S°) from experimental data. The experimental viscosity values were fitted by applying the Vogel−Fulcher− Tammann equation and correlated with an Arrhenius-type equation. Thermal decomposition temperatures (T d ) were investigated using TG analysis. The intermolecular interactions of the ILs have been analyzed with the experimental refractive index data at various temperatures, and the effects of carboxylate anion chain length and temperature on physicochemical properties were also investigated.

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Section: Resultsmentioning

confidence: 97%

Section: Resultsmentioning

confidence: 99%

Thermophysical Properties and Carbon Dioxide Absorption Studies of Guanidinium-Based Carboxylate Ionic Liquids

Ramkumar

Gardas

2019

J. Chem. Eng. Data

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“…According to Chennuri and co-workers, an in-creased in alkyl chain had resulted in increasing of van der Waals attraction in aliphatic chains which leading into greater dynamic viscosity. 36 …”

Section: Resultsmentioning

confidence: 99%

Synthesis and characterization of ammonium-based protic ionic liquids for carbon dioxide absorption

Ab Rahim,

Yunus,

Jaffar

et al. 2023

RSC Adv.

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“…The speed of sound ( u ), which varies with temperature and pressure, is essential for determining the basic physicochemical properties of ILs, that is, density, heat capacity, thermal conductivity, and, particularly, isentropic compressibility . To date, the experiment measurements ways to obtain u data for ILs are the “Pulse-echo method”, − the “sing-around technique in a fixed-path interferometer”, − and the “single path-length method”. − However, the measurement of u is often limited by experimental conditions (wide temperature and pressure ranges) and coupled with the large number of extant ILs also expands the data gaps in the u data . Therefore, the use of predictive methodologies to obtain the speed of sound is of great interest for designing new functional ILs.…”

Section: Introductionmentioning

confidence: 99%

QSPR Model to Predict the Speed of Sound of Ionic Liquids as a Function of Variable Temperature and Pressure

Liu

Wang

et al. 2023

Ind. Eng. Chem. Res.

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In this work, a u(T,P,I)-QSPR model utilizing the norm index (I) is developed to predict the speed of sound (u) of ionic liquids (ILs) over a wide range of pressures (P) and temperatures (T). During the modeling process, preprocessing is first performed against the collected data by using the equipartition rules for temperature and pressure. Temperature and pressure effects are introduced on the basis of cation, anion, and IL descriptors. The external and internal validations are used to evaluate the predictability and robustness of the u(T,P,I)-QSPR model. The statistical results show that the u(T,P,I)-QSPR model can accurately predict the u of ILs at variable temperature and pressure with R 2 test = 0.9952, Q 2 LOCO = 0.9917, and Q 2 LOAO = 0.9903. This facilitates the acquisition of property data (e.g., density and heat capacity) associated with u and the design of functional ILs.

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Thermophysical properties of N -phenyl- N -ethanol ammonium carboxylate based ionic liquids: Measurements, correlations and COSMO-RS study

Cited by 9 publications

References 54 publications

Thermophysical Properties and Carbon Dioxide Absorption Studies of Guanidinium-Based Carboxylate Ionic Liquids

Thermophysical Properties and Carbon Dioxide Absorption Studies of Guanidinium-Based Carboxylate Ionic Liquids

Synthesis and characterization of ammonium-based protic ionic liquids for carbon dioxide absorption

QSPR Model to Predict the Speed of Sound of Ionic Liquids as a Function of Variable Temperature and Pressure

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