Temperature dependence of thermodynamic quantities from simulations at a single temperature

1991 ◽  
Vol 66 (3) ◽  
pp. 349-352 ◽  
Author(s):  
J. Rickman ◽  
S. Phillpot
Keyword(s):  
Temperature Dependence ◽  
Thermodynamic Quantities ◽  
Single Temperature

scholarly journals Study of Thermodynamic Functions for Iron Monoboride FeB

2015 ◽  
Vol 16 (1) ◽  
pp. 136-139
Author(s):  
N. Yu. Filonenko
Keyword(s):  
Heat Capacity ◽  
High Temperature ◽  
Temperature Dependence ◽  
Binary Alloy ◽  
Thermodynamic Functions ◽  
Thermodynamic Potential ◽  
Thermodynamic Quantities ◽  
Zeroth Order ◽  
Temperature Expansion ◽  
High Temperature Expansion

The thermodynamic quantities for iron monoboride FeB, such as entropy, enthalpy, heat capacity and their temperature dependence, are considered. It is shown, that accounting for contribution to the zeroth-order high-temperature expansion of thermodynamic potential for Fe-B binary alloy enables to describe forming monoboride FeB in more complete way from the viewpoint of thermodynamics.

Temperature-dependence of electrochemical kinetic parameters: Electrode reaction of the Zn(Hg)/Zn(II) system

1982 ◽  
Vol 47 (5) ◽  
pp. 1433-1443 ◽  
Author(s):  
S. Kang ◽  
K. Matsuda ◽  
R. Tamamushi
Keyword(s):  
Aqueous Solutions ◽  
Temperature Dependence ◽  
Kinetic Parameters ◽  
Rate Constant ◽  
Activation Parameters ◽  
Electrode Reaction ◽  
Thermodynamic Quantities ◽  
Empirical Correlations ◽  
Square Wave ◽  
Different Temperatures

The electrochemical kinetic parameters of the D.M.E./Zn(II) electrode reaction in aqueous solutions containing perchlorate, nitrate, chloride and bromide ions were measured at different temperatures (5-50 °C) by the modified square-wave polarographic technique. The Arrhenius activation parameters and thermodynamic quantities of the electrode reaction were determined from the temperature dependence of the rate constant and conditional potential, respectively. Empirical correlations were observed between some pairs of kinetic and thermodynamic quantities.

Thermodynamic Investigations of Thin Liquid Layers Between Solid Surfaces II. Water Between Entirely Hydroxylated Fused Silica Surfaces

1971 ◽  
Vol 26 (4) ◽  
pp. 707-715 ◽  
Author(s):  
G. Peschel ◽  
K. H. Adlfinger
Keyword(s):  
Physical Properties ◽  
Temperature Dependence ◽  
Fused Silica ◽  
Solid Surfaces ◽  
Special Method ◽  
Surface Zone ◽  
Thermodynamic Quantities ◽  
Silica Surfaces ◽  
Different Temperatures ◽  
Aqueous Surface

Abstract By a special method the disjoining pressure of water caused by a molecular long range orienta­tion between fully hydroxylated and highly polished fused silica surfaces at different temperatures (0-74 °C) and plate distances ≦ 1000 Å was determined. Four marked maxima were found at about 15°, 32°, 45°, and 61 °C for not too small plate distances. At these temperatures many authors have detected anomalies in the temperature dependence of some physical properties of water. This evidence is discussed in regard to our results which particularly imply thermodynamic quantities derived from the aqueous surface zone.

Thermodynamical detection of hydrophobic hydration of tris(2,4-pentanedionato)-cobalt(III) and tris(3,5-heptanedionato)cobalt(III) in water

1991 ◽  
Vol 69 (9) ◽  
pp. 1388-1393 ◽  
Author(s):  
Yasuki Yoshimura
Keyword(s):  
Free Energy ◽  
Aqueous Solutions ◽  
Temperature Dependence ◽  
Key Words ◽  
Thermodynamic Parameters ◽  
Hydrophobic Hydration ◽  
Thermodynamic Quantities ◽  
Temperature Range ◽  
Entropy Formula ◽  
Energy Formula

The solubilities of tris(2,4-pentanedionato)cobalt(III) and tris(3,5-heptanedionato)cobalt(III) in water, heptane, and 1,2-ethanediol were determined over the temperature range 5–50 °C and from these data the thermodynamic quantities of solution at 25 °C were estimated. The free energy [Formula: see text], enthalpy [Formula: see text], and entropy [Formula: see text] of transfer of these chelates from heptane to some solvents were calculated from the corresponding thermodynamic quantities of solution. When [Formula: see text] and [Formula: see text] were separately plotted against [Formula: see text], the data of transfer from heptane to water deviated markedly from a correlation obtained for the data of transfer to the solvents other than water. This finding indicates that these chelates are subject to hydrophobic hydration in their aqueous solutions. The solubility of tris(glycinato)cobalt(III) in water was also determined over the temperature range 5–60 °C and its temperature dependence of the solubility is compared with that for the cobalt(III) chelates of the β-diketones. Key words: tris cobalt(III) chelates of β-diketones and glycine, temperature dependence of solubility, thermodynamic parameters of solution, thermodynamic parameters of transfer, hydrophobic hydration.

Determination of heats of vaporization and some other thermodynamic quantities for three fluorinated halogen ethanes

1981 ◽  
Vol 46 (4) ◽  
pp. 817-822 ◽  
Author(s):  
Vladimír Majer ◽  
Václav Svoboda ◽  
Antonín Pošta ◽  
Jiří Pick
Keyword(s):  
Thermodynamic Properties ◽  
Temperature Dependence ◽  
Refractive Indices ◽  
Thermodynamic Quantities ◽  
Saturated Vapour ◽  
Two Temperatures ◽  
Heats Of Vaporization

Some thermodynamic properties were investigated for three fluorinated halogen ethanes: 1-bromo-2-chloro-1,1,2-trifluoroethane, 1,2-dibromotetrafluroethane and 1,2-dibromo-1-chlorotrifluoroethane. The temperature dependence of heats of vaporization, saturated vapour pressures, densities and refractive indices was measured at two temperatures. On the basis of the experimental quantities obtained, the standard heats of vaporization and the cohesive and internal energies of vaporization in their dependence on temperature were determined.

scholarly journals Adsorption of methylene blue on corncob charcoal: Thermodynamic studies

2021 ◽  
Vol 23 (1) ◽  
pp. 131-144
Author(s):  
A.A. Fodeke ◽  
O.J. Ayejuyone
Keyword(s):  
Methylene Blue ◽  
Thermodynamic Properties ◽  
Isotherm Model ◽  
Point Of Zero Charge ◽  
Isotherm Models ◽  
Thermodynamic Quantities ◽  
Zero Charge ◽  
Temperature Isotherm ◽  
Single Temperature ◽  
Mb Adsorption

To obtain the thermodynamic properties of adsorption of methylene blue (MB) on corncob carbonaceous adsorbents - untreated (UCC) and acid treated (TCC) - their equilibrium adsorption was determined between 10 o– 40o C at different pH conditions. The adsorption isotherms were fitted to Freundlich, Langmuir and Temkin isotherm models. The point of zero charge of each of the adsorbents was also determined. The point of zero charge was 10.58 ±0.09 for TCC, and 7.55 ± 0.10 for UCC. Only Freundlich model could account for the observed thermodynamic properties of MB adsorption by the adsorbents, though Temkin and Langmuir models have higher correlation coefficients. MB adsorption by TCC was an entropically driven process which depends on pH;ΔSo at pH 10.5 < ΔSo at pH 8.0 <ΔSo at pH 12.0. The ΔHo of the endothermic process at pH 12 is > ΔHo at pH 8 > ΔHo at pH 10.5. The results suggest that MB adsorption by the adsorbents occur by physisorption and is optimum when the pH is around the point of zero charge. It is important to ensure that in addition to fitting and equilibrium adsoption data by an isotherm model, the fit of the relevant equilibrium parameter should also be good and give thermodynamic quantities that could satisfactorily account for the observed adsorption properties of the system.  Deciding the suitability of an isotherm model for fitting adsorption equilibrium experiment based on compared error function of the fitted curves or lines through single temperature isotherm could lead to erroneous conclusion. Keywords: adsorption, adsorbent; methylene blue; enthalpy; entropy; Freundlich

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