ChemInform Abstract: VAPOUR PRESSURE AND CALORIMETRIC MEASUREMENTS ON CADMIUM-INDIUM LIQUID SOLUTIONS

1982 ◽  
Vol 13 (22) ◽  
Author(s):  
Z. MOSER ◽  
M. SUKIENNIK ◽  
R. CASTANET
Keyword(s):  
Vapour Pressure ◽  
Calorimetric Measurements ◽  
Liquid Solutions ◽  
Cadmium Indium

The Heat of Mixing for Binary Mixtures of Triethylamine with Alcohols

1961 ◽  
Vol 14 (4) ◽  
pp. 520 ◽  
Author(s):  
TJV Findlay
Keyword(s):  
Binary Mixtures ◽  
Vapour Pressure ◽  
Alcohol Molecule ◽  
Heat Of Mixing ◽  
Pressure Data ◽  
Calorimetric Measurements

Calorimetric measurements of the heat of mixing have been made at 25 �C and 40 �C for binary mixtures of triethylamine with methanol, and at 25 �C and 45 �C for binary mixtures of triethylamine with ethanol, n-propanol, and n-butanol. It is found that the heat of mixing for these systems becomes slightly less negative as the temperature is increased. However, apart from methanol, the size of the alcohol molecule has little effect on the heat of mixing. The results obtained are compared with those calculated from vapour pressure data in an earlier paper.

scholarly journals Thermodynamic properties of the liquid Hg-Tl alloys determined from vapour pressure measurements

2002 ◽  
Vol 38 (3-4) ◽  
pp. 237-247 ◽  
Author(s):  
W. Gierlotka ◽  
K. Fitzner ◽  
M. Sukiennik
Keyword(s):  
Thermodynamic Properties ◽  
Activity Coefficients ◽  
Thermodynamic Functions ◽  
Vapour Pressure ◽  
Pressure Measurements ◽  
Temperature Range ◽  
Liquid Solutions ◽  
Partial Vapour Pressure

The partial vapour pressure of mercury over liquid Hg-Tl liquid solutions were determined in the temperature range from 450 to 700 K by direct vapour pressure measurements carried out with the quartz gauge. From the measured ln pHg vs. T relationships activities of mercury were determined. Using Redlich-Kister formulas logarithms of the activity coefficients were described with the following equations: From which all thermodynamic functions in the solutions can be derived.

EMF and calorimetric measurements on the Mg-In liquid solutions

1979 ◽  
Vol 10 (4) ◽  
pp. 483-487 ◽  
Author(s):  
Zbigniew Moser ◽  
Robert Castanet
Keyword(s):  
Calorimetric Measurements ◽  
Liquid Solutions

On the relation between isotope effects on vapour pressure and molecular structure

1963 ◽  
Vol 60 ◽  
pp. 52-55
Author(s):  
István Kiss ◽  
Lajos Matus ◽  
István Opauszky
Keyword(s):  
Molecular Structure ◽  
Vapour Pressure ◽  
Isotope Effects

Vapour Pressure Isotope Effect on Evaporation from Pure Organic Phases - a PIMD Approach

2020 ◽  
Author(s):  
Luis Vasquez ◽  
Agnieszka Dybala-Defratyka
Keyword(s):  
Path Integral ◽  
Vapour Pressure ◽  
Density Functional ◽  
Isotope Effects ◽  
Tight Binding ◽  
Decomposition Analysis ◽  
Energy Decomposition Analysis ◽  
Special Importance ◽  
Non Covalent Interactions ◽  
Covalent Interactions

<p></p><p>Very often in order to understand physical and chemical processes taking place among several phases fractionation of naturally abundant isotopes is monitored. Its measurement can be accompanied by theoretical determination to provide a more insightful interpretation of observed phenomena. Predictions are challenging due to the complexity of the effects involved in fractionation such as solvent effects and non-covalent interactions governing the behavior of the system which results in the necessity of using large models of those systems. This is sometimes a bottleneck and limits the theoretical description to only a few methods.<br> In this work vapour pressure isotope effects on evaporation from various organic solvents (ethanol, bromobenzene, dibromomethane, and trichloromethane) in the pure phase are estimated by combining force field or self-consistent charge density-functional tight-binding (SCC-DFTB) atomistic simulations with path integral principle. Furthermore, the recently developed Suzuki-Chin path integral is tested. In general, isotope effects are predicted qualitatively for most of the cases, however, the distinction between position-specific isotope effects observed for ethanol was only reproduced by SCC-DFTB, which indicates the importance of using non-harmonic bond approximations.<br> Energy decomposition analysis performed using the symmetry-adapted perturbation theory (SAPT) revealed sometimes quite substantial differences in interaction energy depending on whether the studied system was treated classically or quantum mechanically. Those observed differences might be the source of different magnitudes of isotope effects predicted using these two different levels of theory which is of special importance for the systems governed by non-covalent interactions.</p><br><p></p>

Theoretical and Experimental Evaluation of the Effect of Fluorinated Substituent on the Topological Landscape and Thermodynamic Stability of Zeolitic Imidazolate Framework Polymorphs

2018 ◽  
Author(s):  
Mihails Arhangelskis ◽  
Athanassis Katsenis ◽  
Novendra Novendra ◽  
Zamirbek Akimbekov ◽  
Dayaker Gandrath ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Mechanochemical Synthesis ◽  
Thermodynamic Stability ◽  
Experimental Evaluation ◽  
Density Functional ◽  
Theoretical Calculations ◽  
Zeolitic Imidazolate Framework ◽  
Functional Theory ◽  
Calorimetric Measurements ◽  
And Calorimetry

By combining mechanochemical synthesis and calorimetry with theoretical calculations, we demonstrate that dispersion-corrected periodic density functional theory (DFT) can accurately survey the topological landscape and predict relative energies of polymorphs for a previously inaccessible fluorine-substituted zeolitic imidazolate framework (ZIF). Experimental screening confirmed two out of three theoretically anticipated polymorphs, and the calorimetric measurements provided an excellent match to theoretically calculated energetic difference between them.<br>

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