scholarly journals Heat Capacities and Thermodynamic Properties of Pinnoite and Inderite

2020 ◽  
Vol 2020 ◽  
pp. 1-8
Author(s):  
Hanyu Zheng ◽  
Kangrui Sun ◽  
Long Li ◽  
Yafei Guo ◽  
Tianlong Deng
Keyword(s):  
Free Energy ◽  
Phase Transitions ◽  
Thermodynamic Properties ◽  
Gibbs Free Energy ◽  
Thermodynamic Functions ◽  
High Purity ◽  
Heat Capacities ◽  
Thermal Anomalies ◽  
Natural Minerals ◽  
First Time

In this paper, in order to understand the thermodynamic properties of natural minerals of pinnoite (MgB2O4·3H2O, Pin) and inderite (Mg2B6O11·15H2O, Ind) deposited in salt lakes, heat capacities of two minerals were measured using a precision calorimeter at temperatures from 306.15 to 355.15 K after the high purity was synthesized. It was found that there are no phase transitions and thermal anomalies for the two minerals, and the molar heat capacities against temperature for Pin and Ind were fitted as Cp,m,pin = −2029.47058 + 16.94666T − 0.04396T2 + 3.89409×10−5T3 and Cp,m,Ind = −30814.43795 + 282.68108T − 0.85605T2 + 8.70708×10−4T 3, respectively. On the basis of molar heat capacities (Cp,m) of Pin and Ind, the thermodynamic functions of entropy, enthalpy, and Gibbs free energy at the temperature of 1 K interval for the two minerals were obtained for the first time.

scholarly journals Heat Capacities and Thermodynamic Properties of Hungchaoite and Mcallisterite

Molecules ◽  
2019 ◽  
Vol 24 (24) ◽  
pp. 4470
Author(s):  
Jiangtao Song ◽  
Fei Yuan ◽  
Long Li ◽  
Yafei Guo ◽  
Tianlong Deng
Keyword(s):  
Phase Transition ◽  
Thermodynamic Properties ◽  
Thermodynamic Functions ◽  
Process Design ◽  
Chemical Engineering ◽  
Heat Capacities ◽  
Salt Lakes ◽  
Engineering Process ◽  
Thermal Anomalies ◽  
First Time

The heat capacities on two minerals of hungchaoite (MgB4O7·9H2O, Hu) and mcallisterite (MgB6O10·7.5H2O, Mc) have been measured with a precision calorimeter at temperatures ranging from 306.15 to 355.15 K, experimentally. It was found that there are no phase transition and thermal anomalies, and the molar heat capacities against temperature for the minerals of hungchaoite and mcallisterite were fitted as C p , m , Hu   =   − 27019.23675 + 229.55286 T   −   0.63912 T   2   +   ( 5.95862   ×   10   − 4 )   T   3 and C p , mMc   =   − 9981.88552   +   84.10964 T   −   0.22685 T   2   +   ( 2.0593   ×   10   − 4 )   T   3 , respectively. The molar heat capacities and thermodynamic functions of (HT-H298.15), (ST-S298.15), and (GT-G298.15) at intervals of 1 K for the two minerals were obtained for the first time. These results are significant in order to understand the thermodynamic properties of those minerals existing in nature salt lakes, as well as applying them to the chemical engineering process design.

scholarly journals Heat Capacity and Thermodynamic Properties of Cesium Pentaborate Tetrahydrate

2020 ◽  
Vol 2020 ◽  
pp. 1-6
Author(s):  
Kangrui Sun ◽  
Panpan Li ◽  
Long Li ◽  
Yafei Guo ◽  
Tianlong Deng
Keyword(s):  
Phase Transition ◽  
Heat Capacity ◽  
Free Energy ◽  
Thermodynamic Properties ◽  
Thermodynamic Functions ◽  
Molar Heat Capacity ◽  
Polynomial Equation ◽  
Adiabatic Calorimeter ◽  
Nitrogen Atmosphere ◽  
Thermal Anomalies

This paper reports the molar heat capacities of β-CsB5O8·4H2O, which were measured by an accurate adiabatic calorimeter from 298 to 373 K with a heating rate of 0.1 K/min under nitrogen atmosphere. Neither phase transition nor thermal anomalies were observed. The molar heat capacity against temperature was fitted to a polynomial equation of Cp,m (J·mol−1·K−1) = 618.07702 + 39.52669[T − (Tmax + Tmin)/2]/(Tmax − Tmin)/2] − 3.46888[(T − (Tmax + Tmin)/2)/(Tmax − Tmin)/2]2 + 7.9441[(T − (Tmax+ Tmin)/2)/(Tmax − Tmin)/2]3. The relevant thermodynamic functions of enthalpy (HT − H298.15), entropy (ST − S298.15), and Gibbs free energy (GT − G298.15) of cesium pentaborate tetrahydrate from 298 to 375 K of 5 K intervals are also obtained on the basis of relational expression equations between thermodynamic functions and the molar heat capacity.

scholarly journals First-Principles Study of Mechanical and Thermodynamic Properties of Binary and Ternary CoX (X = W and Mo) Intermetallic Compounds

Materials ◽  
2021 ◽  
Vol 14 (6) ◽  
pp. 1404
Author(s):  
Yunfei Yang ◽  
Changhao Wang ◽  
Junhao Sun ◽  
Shilei Li ◽  
Wei Liu ◽  
...  
Keyword(s):  
Free Energy ◽  
Thermodynamic Properties ◽  
Gibbs Free Energy ◽  
Density Functional ◽  
Vibrational Entropy ◽  
Functional Theory ◽  
Lattice Constants ◽  
The Density Functional Theory ◽  
Ductile Behavior ◽  
Pseudo Potential

In this study, the structural, elastic, and thermodynamic properties of DO19 and L12 structured Co3X (X = W, Mo or both W and Mo) and μ structured Co7X6 were investigated using the density functional theory implemented in the pseudo-potential plane wave. The obtained lattice constants were observed to be in good agreement with the available experimental data. With respect to the calculated mechanical properties and Poisson’s ratio, the DO19-Co3X, L12-Co3X, and μ-Co7X6 compounds were noted to be mechanically stable and possessed an optimal ductile behavior; however, L12-Co3X exhibited higher strength and brittleness than DO19-Co3X. Moreover, the quasi-harmonic Debye–Grüneisen approach was confirmed to be valid in describing the temperature-dependent thermodynamic properties of the Co3X and Co7X6 compounds, including heat capacity, vibrational entropy, and Gibbs free energy. Based on the calculated Gibbs free energy of DO19-Co3X and L12-Co7X6, the phase transformation temperatures for DO19-Co3X to L12-Co7X6 were determined and obtained values were noted to match well with the experiment results.

scholarly journals Kinetics and thermodynamic properties related to the drying of 'Cabacinha' pepper fruits

2016 ◽  
Vol 20 (2) ◽  
pp. 174-180 ◽  
Author(s):  
Hellismar W. da Silva ◽  
Renato S. Rodovalho ◽  
Marya F. Velasco ◽  
Camila F. Silva ◽  
Luís S. R. Vale
Keyword(s):  
Experimental Data ◽  
Activation Energy ◽  
Free Energy ◽  
Thermodynamic Properties ◽  
Gibbs Free Energy ◽  
Removal Rate ◽  
Effective Diffusion ◽  
Drying Time ◽  
Three Samples ◽  
Different Temperatures

ABSTRACT The objective of this study was to determine and model the drying kinetics of 'Cabacinha' pepper fruits at different temperatures of the drying air, as well as obtain the thermodynamic properties involved in the drying process of the product. Drying was carried out under controlled conductions of temperature (60, 70, 80, 90 and 100 °C) using three samples of 130 g of fruit, which were weighed periodically until constant mass. The experimental data were adjusted to different mathematical models often used in the representation of fruit drying. Effective diffusion coefficients, calculated from the mathematical model of liquid diffusion, were used to obtain activation energy, enthalpy, entropy and Gibbs free energy. The Midilli model showed the best fit to the experimental data of drying of 'Cabacinha' pepper fruits. The increase in drying temperature promoted an increase in water removal rate, effective diffusion coefficient and Gibbs free energy, besides a reduction in fruit drying time and in the values of entropy and enthalpy. The activation energy for the drying of pepper fruits was 36.09 kJ mol-1.

Electrochemical and thermodynamic properties of U4+ and U3+ on Mo electrode in LiCl-KCl eutectic

2019 ◽  
Vol 107 (2) ◽  
pp. 95-104
Author(s):  
Ru-Shan Lin ◽  
You-Qun Wang ◽  
Zhao-Kai Meng ◽  
Hui Chen ◽  
Yan-Hong Jia ◽  
...  
Keyword(s):  
Free Energy ◽  
Thermodynamic Properties ◽  
Thermodynamic Functions ◽  
Electrochemical Behavior ◽  
Diffusion Coefficients ◽  
Electrochemical Techniques ◽  
Reduction Process ◽  
Standard Potential ◽  
Hcl Gas ◽  
Thermodynamic Functions Of Formation

Abstract In this study, UCl4 was prepared by the reaction of HCl gas with UO2 in the LiCl-KCl eutectic. Then, the electrochemical behavior of U4+ and U3+ on a Mo cathode was investigated by various electrochemical techniques. The reduction process of U4+ was regarded as two steps: U4++e=U3+; U3++3e=U. Diffusion coefficients of U4+ and U3+, the apparent standard potential of U4+/U3+, U3+/U as well as U4+/U in the LiCl-KCl molten salt on the Mo electrode was determined by numerous electrochemical methods. The thermodynamic functions of formation of Gibbs free energy of UCl4 and UCl3 are calculated as well.

scholarly journals The Physical and Thermodynamic Functions of Borides

2017 ◽  
Vol 18 (1) ◽  
pp. 58-63
Author(s):  
N.Yu. Filonenko
Keyword(s):  
Free Energy ◽  
Physical Properties ◽  
Thermodynamic Functions ◽  
Point Of View ◽  
Energy Potential ◽  
High Temperature Expansion ◽  
Temperature Dependences ◽  
Function Calculation ◽  
First Time ◽  
Good Agreement

In the paper the physical properties and thermodynamic functions of borides Х2В (Х=W, Mo, Mn, Fe, Co, Ni та Cr) are studied with accounting for fluctuation processes. We use the microstructure analysis, the X-ray structural and the durometric analyses to determine the physical properties of alloys. In the paper it is determined the phase composition and physical properties of borides. In this paper for the first time it is determined the thermodynamic functions of borides using the Hillert and Staffansson model with accounting for the first degree approximation of high-temperature expansion for the free energy potential of binary alloys. We obtain the temperature dependences for such thermodynamic functions as Gibbs free energy, entropy, enthalpy and heat capacity Ср along with their values at the formation temperature for Х2В (Х=W, Mo, Mn, Fe, Co, Ni та Cr). The approach under consideration enables to give more thorough from the thermodynamic point of view description of borides formed from the liquid. The outcomes of the thermodynamic function calculation for borides are in good agreement with experimental data and results of other authors.

The Size Dependence of Dissolution Thermodynamics of Nanoparticles

NANO ◽  
2016 ◽  
Vol 11 (09) ◽  
pp. 1650100 ◽  
Author(s):  
Zhi-Qiang Wang ◽  
Yong-Qiang Xue ◽  
Zi-Xiang Cui ◽  
Hui-Juan Duan ◽  
Xiao-Yan Xia
Keyword(s):  
Particle Size ◽  
Free Energy ◽  
Thermodynamic Properties ◽  
Equilibrium Constant ◽  
Gibbs Free Energy ◽  
Average Particle ◽  
Dissolution Enthalpy ◽  
Dissolution Entropy ◽  
Dissolution Thermodynamics ◽  
Dissolution Thermodynamic Properties

Dissolution of nanoparticles is involved in the preparation, research and application of nanomaterials, but there is a surprising difference in dissolution thermodynamics between nanoparticles and the corresponding bulk materials. In the paper, the relations of dissolution thermodynamic properties, equilibrium constant of nanoparticles, respectively, and particle size were derived by introducing interface variables and the surface chemical potential. Experimentally, the solubility of nano-barium sulfate with different average particle sizes at different temperatures were determined by the method of electrical conductivity, obtaining the influencing regularities of particle size on the dissolution thermodynamic properties and the equilibrium constant. The regularities are in accordance with the theory. The results show that there are remarkable effects of particle size of nanoparticles on the dissolution thermodynamic properties and the equilibrium constant; with the decreasing of the size of nanoparticles, the dissolution equilibrium constant increases, while the standard dissolution Gibbs free energy, the standard dissolution enthalpy and the standard dissolution entropy decrease; and the logarithm of the dissolution equilibrium constant, the standard dissolution Gibbs free energy, the standard dissolution enthalpy and the standard dissolution entropy are linearly associated with the reciprocal of particle size, respectively. This new theory provides a quantitative description of nanoparticles dissolution behavior, and has important scientific significance for understanding and predicting of thermodynamic regularity of dissolution concerned in the preparation, researches and applications of nanomaterials.

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