Thermochemistry of biscyclopentadienyl metal compounds

1967 ◽  
Vol 20 (10) ◽  
pp. 2059 ◽  
Author(s):  
AG Turnbull
Keyword(s):  
Thermal Decomposition ◽  
Thermodynamic Properties ◽  
Ideal Gas ◽  
Heats Of Formation ◽  
Free Energies ◽  
Metal Compounds ◽  
Temperature Range ◽  
Thermodynamic Feasibility

Standard free energies of formation for the temperature range 298- 1000�K are calculated for C5H5, C5H6, and the biscyclopentadienyl compounds of iron, ruthenium, nickel, and magnesium by combining reported heats of formation at 298�K with calculated ideal-gas thermodynamic properties. The results are used to predict the thermodynamic feasibility of three types of reactions-the formation of biscyclopentadienyl metal compounds, their thermal decomposition, and their reduction with hydrogen. It is shown that the predictions are in agreement with qualitative chemical observations.

scholarly journals Thermodynamics of a relativistic Fermi-Dirac gas

1942 ◽  
Vol 180 (983) ◽  
pp. 414-423 ◽  
Keyword(s):  
Thermodynamic Properties ◽  
Ideal Gas ◽  
Series Expansions ◽  
Free Energies ◽  
Relativistic Fermi ◽  
Degenerate Cases

The thermodynamic properties— energy, pressure, free energies and entropy — for a Fermi-Dirac ideal gas are derived, taking account of the effect of relativistic mechanics. The results are expressed in convenient series expansions. The degenerate and non-degenerate cases are considered.

scholarly journals Thermodynamic Properties of Vapors from Speed of Sound

2014 ◽  
Vol 2014 ◽  
pp. 1-5 ◽  
Author(s):  
Muhamed Bijedić ◽  
Sabina Begić
Keyword(s):  
Thermodynamic Properties ◽  
Differential Equations ◽  
Speed Of Sound ◽  
Numerical Procedure ◽  
Initial Boundary ◽  
Initial Boundary Value Problem ◽  
Ideal Gas ◽  
Temperature Range ◽  
Initial Values ◽  
Initial Boundary Value

A numerical procedure for deriving the thermodynamic properties (Z, cv, and cp) of the vapor phase in the subcritical temperature range from the speed of sound is presented. The set of differential equations connecting these properties with the speed of sound is solved as the initial-value problem in T-ϕ domain (ϕ=ρ/ρsat). The initial values of Z and ∂Z/∂Tρ are specified along the isotherm T0 with the highest temperature, at a several values of ϕ [0.1, 1.0]. The values of Z are generated by the reference equation of state, while the values of ∂Z/∂Tρ are derived from the speed of sound, by solving another set of differential equations in T-ρ domain in the transcritical temperature range. This set of equations is solved as the initial-boundary-value problem. The initial values of Z and cv are specified along the isochore in the limit of the ideal gas, at several isotherms distributed according to the Chebyshev points of the second kind. The boundary values of Z are specified along the same isotherm T0 and along another isotherm with a higher temperature, at several values of ρ. The procedure is tested on Ar, N2, CH4, and CO2, with the mean AADs for Z, cv, and cp at 0.0003%, 0.0046%, and 0.0061%, respectively (0.0007%, 0.0130%, and 0.0189% along the saturation line).

Excess thermodynamic properties of isopropanol–n-decanol mixtures

1969 ◽  
Vol 47 (4) ◽  
pp. 543-546 ◽  
Author(s):  
Jaswant Singh ◽  
H. D. Pflug ◽  
G. C. Benson
Keyword(s):  
Thermodynamic Properties ◽  
Vapor Pressure ◽  
Pressure Measurements ◽  
Free Energies ◽  
Excess Thermodynamic Properties ◽  
Temperature Range ◽  
Molar Excess ◽  
Volumes Of Mixing ◽  
Vapor Pressure Measurements

Molar excess Gibbs free energies, obtained from static vapor pressure measurements on isopropanol–n-decanol mixtures over the temperature range 20–50 °C, are reported. Results of direct determinations of heats and volumes of mixing at 25 °C are also presented.

Ideal–Gas Thermochemical Properties for Alkanolamine and Related Species Involved in Carbon Capture Applications

2020 ◽  
Author(s):  
Nayyereh hatefi ◽  
William Smith
Keyword(s):  
Heat Capacity ◽  
Electronic Structure ◽  
Co2 Capture ◽  
Carbon Capture ◽  
Ideal Gas ◽  
Thermochemical Properties ◽  
Temperature Range ◽  
Comparison Results ◽  
Electronic Structure Methods ◽  
Protonated Forms

<div>Ideal{gas thermochemical properties (enthalpy, entropy, Gibbs energy, and heat capacity, Cp) of 49 alkanolamines potentially suitable for CO2 capture applications and their carbamate and protonated forms were calculated using two high{order electronic structure methods, G4 and G3B3 (or G3//B3LYP). We also calculate for comparison results from the commonly used B3LYP/aug-cc-pVTZ method. This data is useful for the construction of molecular{based thermodynamic models of CO2 capture processes involving these species. The Cp data for each species over the temperature range 200 K{1500 K is presented as functions of temperature in the form of NASA seven-term polynomial expressions, permitting the set of thermochemical properties to be calculated over this temperature range. The accuracy of the G3B3 and G4 results is estimated to be 1 kcal/mol and the B3LYP/aug-cc-pVTZ results are of nferior quality..</div>

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