The Thermodynamic Properties of the Lower Chlorides of Titanium

1960 ◽  
Vol 13 (3) ◽  
pp. 332 ◽  
Author(s):  
RB Head
Keyword(s):  
Free Energy ◽  
Thermodynamic Properties ◽  
Thermodynamic Data ◽  
Titanium Tetrachloride ◽  
Hydrogen Reduction ◽  
Glass Ampoule ◽  
Titanium Dichloride ◽  
Titanium Trichloride

The free-energy values for titanium trichloride were determined to within 0.5 kcal per mole, using a " null " method with mercury and silver as reductants. Attempts to obtain free-energy values by means of the hydrogen reduction of titanium tetrachloride vapour failed to give reliable results owing to reactions between the trichloride and the glass ampoule. Thermodynamic data for titanium dichloride were obtained by vacuum disproportionation of the trichloride.

Modeling of the Thermodynamic Properties of Liquid Fe-Ni and Fe-Co Alloys From the Surface Tension Data

2011 ◽  
Vol 56 (1) ◽  
pp. 13-23 ◽  
Author(s):  
W. Gąsior ◽  
P. Fima ◽  
Z. Moser
Keyword(s):  
Surface Tension ◽  
Free Energy ◽  
Surface Layer ◽  
Thermodynamic Properties ◽  
Gibbs Free Energy ◽  
Thermodynamic Data ◽  
Excess Gibbs Free Energy ◽  
Surface Tension Data ◽  
Co Alloys ◽  
Good Agreement

Modeling of the Thermodynamic Properties of Liquid Fe-Ni and Fe-Co Alloys From the Surface Tension DataRecently proposed method of modeling of thermodynamic properties of liquid binary alloys from their surface tension data is described. The method utilizes Melford and Hoar equation, relating surface tension with excess Gibbs free energy, combined with new description of the monatomic surface layer and β parameter. The method is tested on Fe-Ni and Fe-Co alloys and the obtained results show very good agreement with experimental thermodynamic data of other authors. The model allows also to calculate the surface tension from thermodynamic data, and it gives better agreement with experimental results than those modeled with the use of Butler equation and traditionally defined monatomic surface layer and β = 0.83.

scholarly journals COORDINATION POLYMERIZATION OF OLEFINS: CATALYST STUDIES. PART I. THE INFRARED SPECTROSCOPIC INVESTIGATION OF THE SYSTEMS (CH3)3Al–TiCl4 AND (CH3)2Zn–TiCl4

1963 ◽  
Vol 41 (6) ◽  
pp. 1502-1510 ◽  
Author(s):  
A. P. Gray ◽  
A. B. Callear ◽  
F. H. C. Edgecombe
Keyword(s):  
Vapor Phase ◽  
Spectroscopic Investigation ◽  
Titanium Tetrachloride ◽  
Active Catalyst ◽  
Initial Reaction ◽  
Coordination Polymerization ◽  
Titanium Dichloride ◽  
Infrared Spectroscopic ◽  
Titanium Trichloride ◽  
Trimethyl Aluminum

An infrared spectroscopic investigation of the reaction between titanium tetrachloride and trimethyl aluminum in the vapor phase was carried out at six different reactant ratios. The study defined the course of the initial reactions; demonstrated the importance of equilibria among the products in this system as contrasted with dimethyl zinc – titanium tetrachloride; indicated the relative alkylating power of trimethyl, dimethylchloro, and methyldichloro aluminum toward titanium tetrachloride and methyl titanium trichloride; and supported the view that the active catalyst site in such systems is the titanium–carbon bond in reduced titanium alkyls. A new mode of decomposition of methyl titanium trichloride leading to active catalyst was found which can account for reported variable catalyst activities at Al/Ti ratios less than 1. Individual infrared spectra in the range 1500 to 300 cm−1 for trimethyl aluminum, dimethyl aluminum dichloride, methyl aluminum dichloride, methyl titanium trichloride, and dimethyl titanium dichloride as well as those of the initial reaction mixtures are presented.

THE PRODUCTION OF TITANIUM TRICHLORIDE BY ARC-INDUCED HYDROGEN REDUCTION OF TITANIUM TETRACHLORIDE

1957 ◽  
Vol 35 (8) ◽  
pp. 850-872 ◽  
Author(s):  
T. R. Ingraham ◽  
K. W. Downes ◽  
P. Marier
Keyword(s):  
Hydrogen Chloride ◽  
High Purity ◽  
Titanium Tetrachloride ◽  
Hydrogen Reduction ◽  
Reducing Power ◽  
Titanium Metal ◽  
Titanium Trichloride ◽  
Powdered Titanium ◽  
Induced Reaction

Finely powdered titanium trichloride of high purity was prepared by an arc-induced reaction of titanium tetrachloride with hydrogen. The hydrogen chloride by-product was passed over heated titanium, and the regenerated hydrogen and titanium tetrachloride were recirculated to the arc. The method in effect utilizes the reducing power of the titanium metal to produce titanium trichloride from titanium tetrachloride.

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 Study of Spectroscopy and Thermodynamic Properties for Phoshours dioxide PO2 Molecular and Influence Study of Bond ( P-O ) on Spectroscopy Properties

2012 ◽  
Vol 9 (4) ◽  
pp. 616-622
Author(s):  
Baghdad Science Journal
Keyword(s):  
Free Energy ◽  
Thermodynamic Properties ◽  
Room Temperature ◽  
Formation Enthalpy ◽  
Heat Of Formation ◽  
Vibration Modes ◽  
Equilibrium Distance ◽  
Atmosphere Pressure ◽  
Gibb’S Free Energy ◽  
Good Agreement

In This research a Spectroscopic complement and Thermodynamic properties for molecule PO2 were studied . That included a calculation of potential energy . From the curve of total energy for molecule at equilibrium distance , for bond (P-O), the degenerated of bond energy was (4.332eV) instate of the vibration modes of ( PO2 ) molecule and frequency that was found active in IR spectra because variable inpolarization and dipole moment for molecule. Also we calculate some thermodynamic parameters of ( PO2 ) such as heat of formation , enthalpy , heat Of capacity , entropy and gibb's free energy Were ( -54.16 kcal/mol , 2366.45 kcal/mol , 10.06 kcal /k/mol , 59.52 kcal /k /mol, -15370.51 kcal / mol ) respectively under condition of room temperature and atmosphere pressure ( 298 k , 1 atm.). We calculate there parameters at various temperature from ( 100 – 3000 ) K . It was found that the obtainded results were in a good agreement with previous experimental facts.

Calculation on the Free Energy of Mixing of some Silane Systems

2011 ◽  
Vol 391-392 ◽  
pp. 1017-1021
Author(s):  
Ru Zhang ◽  
Yan Fen Wu ◽  
Ping Hu
Keyword(s):  
Free Energy ◽  
Thermodynamic Properties ◽  
Activity Coefficients ◽  
Influence Factors ◽  
Critical Parameters ◽  
Model Parameters ◽  
Free Energies ◽  
Wilson Model ◽  
Energy Of Mixing ◽  
Free Energy Of Mixing

Six binary silane systems were chosen to calculate the activity coefficients (γ) and free energies of mixing (ΔGm). These systems included: methyldichlorosilane + methyltrichlorosilane, methyldichlorosilane + methylvinyldichlorosilane, methyldichlorosilane + toluene, methyltrichlorosilane + methylvinyldichlorosilane, methyltrichlorosilane + toluene, methylvinyldichlorosilane + toluene. Based on the Antoine constants, critical parameters of the pure components and Wilson model parameters, γ and ΔGmwere calculated. The influence factors of these thermodynamic properties were also discussed.

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