Thermodynamic Characteristics of the Dissolution of Fullerene C60 in Benzene, Toluene, o-Xylene, o-Dichlorobenzene, and Carbon Disulfide at Different Temperatures

2020 ◽  
pp. 107-118
Author(s):  
S.N. Solovyev ◽  
M.A. Krusheva ◽  
A.A. Gurov ◽  
V. Aiguzhin
Keyword(s):  
Carbon Disulfide ◽  
Thermodynamic Functions ◽  
Theoretical Data ◽  
Thermodynamic Characteristics ◽  
Fullerene C60 ◽  
Standard Thermodynamic Functions ◽  
Dissolution Enthalpies ◽  
Different Temperatures ◽  
Benzene Toluene ◽  
Abnormal Temperature

The enthalpy of the fullerene C60 dissolution in carbon disulfide CS2 at 298.15 K was measured in a calorimeter with an isothermal shell. The value of the standard enthalpy of the fullerene C60 dissolution in this substance was found. Standard thermodynamic functions of fullerene C60 dissolution in benzene, chlorobenzene, bromobenzene, carbon disulfide, toluene, o-xylene, and o-dichlorobenzene at 298.15 K were determined based on the results of thermometric measurements and theoretical data. The standard thermodynamic functions have also been determined for toluene, o-xylene, and o-dichlorobenzene at temperatures of 288.15 and 308.15 K. The possible causes of the abnormal temperature dependence of the fullerene C60 solubility in some solvents, as well as sign changes in their dissolution enthalpies, in the temperature range of 288.15--308.15 K have been discussed

Correlation between global thermodynamic functions and experimental data in multicomponent heterogeneous systems

2016 ◽  
Vol 94 (2) ◽  
pp. 113-119 ◽  
Author(s):  
Igor Povar ◽  
Oxana Spinu
Keyword(s):  
Experimental Data ◽  
Thermodynamic Functions ◽  
Solid Phase ◽  
Heterogeneous Systems ◽  
Thermodynamic Characteristics ◽  
Alkaline Solutions ◽  
Precipitation Process ◽  
Mutual Transformation ◽  
Homogeneous Solutions ◽  
Different Temperatures

The correlation between global thermodynamic functions and such experimental data, which quantitatively characterize the precipitation–dissolution processes of sparingly soluble compounds, as the degree of precipitation and residual concentrations of the solid-phase components in saturated solutions under real conditions, taking into account the complex formation reactions, has been deducted. The paper intends also to introduce widely formal thermodynamic methods for forecasting the conditions of mutual transformation of solid phases through chemical synthesis by precipitation methods, optimization of coprecipitation methods, fractional precipitation from homogeneous solutions, and separation and analysis of chemical compounds. Within the method of residual concentrations, the thermodynamic parameters of the process of precipitating cadmium ions with potassium decanoate from acid and alkaline solutions for different temperatures were investigated. On the basis of the experimentally determined degree of precipitation and its dependence on temperature, the temperature coefficients and overall thermodynamic characteristics of the precipitation process ([Formula: see text], [Formula: see text], and [Formula: see text]) were determined. The optimum conditions of the investigated process of precipitation have been established.

Thermochemistry of Fullerene C60 Solutions in Toluene, o-Xylene and o-Dichlorobenzene

2019 ◽  
pp. 89-95
Author(s):  
A.A. Gurov ◽  
M.A. Krusheva ◽  
S.N. Solovev ◽  
O.A. Oreshkina
Keyword(s):  
Thermodynamic Functions ◽  
Fullerene C60 ◽  
Dissolution Enthalpy ◽  
Standard Thermodynamic Functions ◽  
Enthalpies Of Dissolution ◽  
Data Standard ◽  
Dissolution Entropy ◽  
Highly Sensitive ◽  
Liquid Systems

In hermetic highly sensitive calorimeter with an isothermal shell, the enthalpies of dissolution of fullerene C60 in toluene, o-xylene and o-dichlorobenzene were measured at temperatures of 288.15 K and 308.15 K at various concentrations of the dissolved substance. On the basis of the measured values and literature data, standard thermodynamic functions of the dissolution of C60 in the above mentioned solvents have been found at the indicated temperatures. The fact of the change in the sign of the dissolution enthalpy for all three systems under study at a transition to a temperature of 308.15 K has been revealed. A negative value of the dissolution entropy indicates the presence of a constant interaction in these liquid systems, which decreases sharply at 308.15 K.

Experimental and Theoretical (ab initio and DFT) Analysis of UV-Vis Spectra, Thermodynamic Functions and Non-linear Optical Properties of 2-Chloro-3,4-Dimethoxybenzaldehyde

2015 ◽  
Vol 8 (2) ◽  
pp. 2122-2134
Author(s):  
Sarvendra Kumar ◽  
Rajesh Kumar ◽  
Jayant Teotia ◽  
M. K. Yadav
Keyword(s):  
Thermodynamic Functions ◽  
Title Compound ◽  
Density Functional ◽  
Structural Characteristics ◽  
Basis Sets ◽  
Ultraviolet Absorption Spectrum ◽  
Non Linear ◽  
Different Temperatures ◽  
Linear Optical Properties ◽  
Linear Optical

In the present work, UV- Visible spectra of 2-Chloro-3,4-Dimethoxybenzaldehyde (2,3,4-CDMB) compound  have been carried out experimentally and theoretically. The ultraviolet absorption spectrum of title compound in three solvents (Acetone, Diethyl Ether, CCl4) of different polarity were examined in the range of 200–500 nm. The structure of the molecule was optimized and the structural characteristics were determined by HF and DFT (B3LYP) methods with 6-31+G(d,p) and 6-311++G(d,p) as basis sets. The excitation energy, wavelength corresponds to absorption maxima () and oscillator strength (f) are calculated by Time-Dependent Density Functional Theory (TD-DFT) using B3LYP/6-31+G(d,p) and B3LYP/6-311++G(d,p) as basis sets. The electric dipole moment (μ), polarizability (α) and the first hyperpolarizability (β ) have been computed to evaluate the non-linear optical (NLO) response of the investigated compound by HF and DFT (B3LYP) with already mentioned basis sets. Thermodynamic functions of the title compound at different temperatures were also calculated.

scholarly journals Solubility of Butylated Hydroxytoluene (BHT) in Aqueous and Alcohol Solutions from 293.15 to 313.15 K

2014 ◽  
Vol 28 ◽  
pp. 48-58 ◽  
Author(s):  
Shipra Baluja ◽  
Kapil Bhesaniya ◽  
Rahul Bhalodia ◽  
Sumitra Chanda
Keyword(s):  
Gibbs Energy ◽  
Thermodynamic Functions ◽  
Butylated Hydroxytoluene ◽  
Solubility Data ◽  
Different Temperatures ◽  
Enthalpy And Entropy

The solubility of Butylated hydroxyl toluene in aqueous and alcohol solutions were determined at different temperatures (293.15 to 313.15) K. Using Van’t Hoff and Gibb’s equations, some thermodynamic functions such as Gibbs energy, enthalpy and entropy of dissolution, and of mixing of Butylated hydroxyl toluene in aqueous and alcohol solutions, were evaluated from solubility data. The solubility was greater in butanol and minimum in water. The enthalpies, entropy and Gibb’s energy of dissolution were positive for all solvents.

Standard thermodynamic functions of GeS :Bi (1 < x < 2) glasses

2019 ◽  
Vol 509 ◽  
pp. 74-79 ◽  
Author(s):  
А.М. Kut'in ◽  
А.D. Plekhovich ◽  
К.V. Balueva ◽  
М.V. Sukhanov ◽  
I.V. Skripachev
Keyword(s):  
Thermodynamic Functions ◽  
Standard Thermodynamic Functions

Thermodynamics of FeS-PbS-In2S3 and Properties of Intermediate Phases

2018 ◽  
Vol 385 ◽  
pp. 175-181 ◽  
Author(s):  
Mirsalim M. Asadov ◽  
Solmaz N. Mustafaeva ◽  
Ulviya A. Hasanova ◽  
Faiq M. Mamedov ◽  
Ozbak M. Aliev ◽  
...  
Keyword(s):  
Activation Energy ◽  
Isothermal Section ◽  
Band Gap ◽  
Phase Analysis ◽  
Thermodynamic Analysis ◽  
Thermodynamic Functions ◽  
Impurity Level ◽  
Standard Thermodynamic Functions ◽  
X Ray ◽  
Intermediate Phases

The thermodynamic analysis and the X-ray Phase Analysis (XPA) of the FeS–PbS–In2S3system were carried out. It is shown that along with the triple phases of MIn2S4(M – Fe, Pb) and Pb6In6S21, the Fe1.5Pb5.5In10S22phase also participates in the triangulation of the system. The standard thermodynamic functions for the formation of MIn2S4(M-Fe, Pb), Pb6In6S21and Fe1.5Pb5.5In10S22are estimated. An isothermal section of the FeS–PbS–In2S3system at 298 K is constructed. It is shown that the activation energy of the impurity level located in the band gap of Fe1.5Pb5.5In10S22is equal to 0.19 eV.

Thermodynamic Investigation of Polyhydroxylated Derivatives of Light Fullerenes

2019 ◽  
Vol 18 (03n04) ◽  
pp. 1940009
Author(s):  
N. Podolsky ◽  
M. Lelet
Keyword(s):  
Thermodynamic Functions ◽  
Adiabatic Calorimetry ◽  
Crystalline State ◽  
Thermodynamic Investigation ◽  
Standard Thermodynamic Functions ◽  
Molar Entropy ◽  
Entropy Of Formation ◽  
Molar Third ◽  
Third Law ◽  
Derivatives Of

Isobaric heat capacities of C[Formula: see text](OH)[Formula: see text] and C[Formula: see text](OH)[Formula: see text] fullerenols were measured using adiabatic calorimetry in the temperature range of 0–320[Formula: see text]K along with standard thermodynamic functions: [Formula: see text], [[Formula: see text]] and [[Formula: see text]]. Furthermore, the molar entropy of formation and the molar third law entropy of C[Formula: see text](OH)[Formula: see text] and C[Formula: see text](OH)[Formula: see text] in crystalline state at 298.15[Formula: see text]K were calculated.

The distribution of branched octanols between dodecane and water

1985 ◽  
Vol 63 (4) ◽  
pp. 789-792 ◽  
Author(s):  
Norman H. Sagert ◽  
Danny W. P. Lau
Keyword(s):  
Thermodynamic Functions ◽  
Distribution Data ◽  
Standard Entropy ◽  
Standard Thermodynamic Functions ◽  
Enthalpies Of Transfer ◽  
Data Standard ◽  
Gibbs Energies ◽  
Gibbs Energies Of Transfer ◽  
Branched Chain ◽  
Entropy Of Transfer

The distribution of four branched chain octanols, 3-ethyl-3-hexanol, 4-ethyl-3-hexanol, 2-ethyl-4-methylpentanol, and 4-octanol, has been measured between dodecane and water. Measurements were made at alcohol concentrations in the dodecane of less than 0.1 mol/dm3, and as a function of temperature from 10 °C to 35 °C. From these distribution data, standard thermodynamic functions for transfer were calculated. Standard Gibbs energies of transfer from water to dodecane at 25 °C were in the range −14.1 to −15.1 kJ/mol, whereas the standard enthalpies of transfer at 25 °C varied from 29 to 39 kJ/mol. Thus, the change in the standard enthalpy tends to inhibit transfer, but a large standard entropy of transfer results in dodecane being the favoured phase.

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