Structures, thermochemical properties (enthalpy, entropy and heat capacity), rotation barriers, and peroxide bond energies of vinyl, allyl, ethynyl and phenyl hydroperoxidesElectronic supplementary information (ESI) available. Structures, geometry parameters, thermochemical properties, rotation barriers and peroxide bond energies of vinyl, allyl, ethynyl and phenyl hydroperoxides. See http://www.rsc.org/suppdata/cp/b1/b111303h/Presented at the Bunsen Discussion on Formation and Degradation of Hydrocarbons in High-Temperature Reactions, Bad Herrenalb, Germany, 7–11 October, 2001.

2002 ◽  
Vol 4 (15) ◽  
pp. 3691-3703 ◽  
Author(s):  
Nadia Sebbar ◽  
Henning Bockhorn ◽  
Joseph W. Bozzelli
Keyword(s):  
Heat Capacity ◽  
High Temperature ◽  
Supplementary Information ◽  
Thermochemical Properties ◽  
Bond Energies ◽  
High Temperature Reactions ◽  
Peroxide Bond

ABOUT HEAT CAPACITY OF TITANIUM CARBIDE TiCx

2019 ◽  
pp. 56-66
Author(s):  
I. Khidirov ◽  
V. V. Getmanskiy ◽  
A. S. Parpiev ◽  
Sh. A. Makhmudov
Keyword(s):  
Heat Capacity ◽  
High Temperature ◽  
Titanium Carbide ◽  
Temperature Dependence ◽  
Carbon Concentration ◽  
Room Temperature ◽  
Thermodynamic Characteristics ◽  
Liquid Nitrogen Temperature ◽  
Analysis Data ◽  
Thermal Excitation

This work relates to the field of thermophysical parameters of refractory interstitial alloys. The isochoric heat capacity of cubic titanium carbide TiCx has been calculated within the Debye approximation in the carbon concentration  range x = 0.70–0.97 at room temperature (300 K) and at liquid nitrogen temperature (80 K) through the Debye temperature established on the basis of neutron diffraction analysis data. It has been found out that at room temperature with decrease of carbon concentration the heat capacity significantly increases from 29.40 J/mol·K to 34.20 J/mol·K, and at T = 80 K – from 3.08 J/mol·K to 8.20 J/mol·K. The work analyzes the literature data and gives the results of the evaluation of the high-temperature dependence of the heat capacity СV of the cubic titanium carbide TiC0.97 based on the data of neutron structural analysis. It has been proposed to amend in the Neumann–Kopp formula to describe the high-temperature dependence of the titanium carbide heat capacity. After the amendment, the Neumann–Kopp formula describes the results of well-known experiments on the high-temperature dependence of the heat capacity of the titanium carbide TiCx. The proposed formula takes into account the degree of thermal excitation (a quantized number) that increases in steps with increasing temperature.The results allow us to predict the thermodynamic characteristics of titanium carbide in the temperature range of 300–3000 K and can be useful for materials scientists.

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>

High-temperature heat capacity of the Al63Cu25Fe12 quasicrystal

2008 ◽  
Vol 50 (11) ◽  
pp. 2013-2015 ◽  
Author(s):  
A. F. Prekul ◽  
V. A. Kazantsev ◽  
N. I. Shchegolikhina ◽  
R. I. Gulyaeva ◽  
K. Edagawa
Keyword(s):  
Heat Capacity ◽  
High Temperature ◽  
High Temperature Heat Capacity ◽  
Temperature Heat

High-temperature heat capacity of copper metaborate CuB2O4

2012 ◽  
Vol 54 (10) ◽  
pp. 2142-2144 ◽  
Author(s):  
V. M. Denisov ◽  
L. T. Denisova ◽  
L. A. Irtyugo ◽  
N. V. Volkov ◽  
G. S. Patrin ◽  
...  
Keyword(s):  
Heat Capacity ◽  
High Temperature ◽  
High Temperature Heat Capacity ◽  
Temperature Heat

High-temperature heat capacity of Bi2CuO4

2012 ◽  
Vol 54 (9) ◽  
pp. 1943-1945 ◽  
Author(s):  
V. M. Denisov ◽  
L. A. Irtyugo ◽  
L. T. Denisova ◽  
S. D. Kirik ◽  
L. G. Chumilina
Keyword(s):  
Heat Capacity ◽  
High Temperature ◽  
High Temperature Heat Capacity ◽  
Temperature Heat
Sign in / Sign up

Export Citation Format

Share Document