Heat capacity of SrFeO3–δ; δ = 0.50, 0.25 and 0.15 – configurational entropy of structural entities in grossly non-stoichiometric oxidesElectronic supplementary information (ESI) available: the experimental molar heat capacities of SrFeO2.54, SrFeO2.725 and SrFeO2.833 at sub-ambient temperatures and the corresponding data for SrFeO2.50, SrFeO2.74, SrFeO2.82, SrFeO2.833 and SrFeO2.85 at super-ambient temperatures. See http://www.rsc.org/suppdata/dt/b2/b209236k/

2002 ◽  
pp. 361-368 ◽  
Author(s):  
Camilla Haavik ◽  
Egil Bakken ◽  
Truls Norby ◽  
Svein Stølen ◽  
Tooru Atake ◽  
...  
Keyword(s):  
Heat Capacity ◽  
Configurational Entropy ◽  
Heat Capacities ◽  
Supplementary Information ◽  
Ambient Temperatures

Heat capacities and enthalpies of fusion and transformation for solvates of some salts with dimethyl sulfoxide and dimethylformamide

1988 ◽  
Vol 53 (12) ◽  
pp. 3072-3079
Author(s):  
Mojmír Skokánek ◽  
Ivo Sláma
Keyword(s):  
Heat Capacity ◽  
Phase Transformation ◽  
Phase Transformations ◽  
Dimethyl Sulfoxide ◽  
Liquidus Temperature ◽  
Molar Heat Capacity ◽  
Solid Phase ◽  
Zinc Nitrate ◽  
Heat Capacities ◽  
Liquid Phases

Molar heat capacities and molar enthalpies of fusion of the solvates Zn(NO3)2 . 2·24 DMSO, Zn(NO3)2 . 8·11 DMSO, Zn(NO3)2 . 6 DMSO, NaNO3 . 2·85 DMSO, and AgNO3 . DMF, where DMSO is dimethyl sulfoxide and DMF is dimethylformamide, have been determined over the temperature range 240 to 400 K. Endothermic peaks found for the zinc nitrate solvates below the liquidus temperature have been ascribed to solid phase transformations. The molar enthalpies of the solid phase transformations are close to 5 kJ mol-1 for all zinc nitrate solvates investigated. The dependence of the molar heat capacity on the temperature outside the phase transformation region can be described by a linear equation for both the solid and liquid phases.

Heat capacities at constant volume, free volumes, and rotational freedom in some liquids

1971 ◽  
Vol 24 (9) ◽  
pp. 1817 ◽  
Author(s):  
DD Deshpande ◽  
LG Bhatgadde
Keyword(s):  
Heat Capacity ◽  
Free Volume ◽  
Heat Capacities ◽  
Organic Liquids ◽  
Velocity Of Sound ◽  
Velocity Data ◽  
Volume Analysis ◽  
Straight Lines ◽  
Rotational Freedom ◽  
Residual Heat

This paper presents the experimental results on the velocity of sound, densities, and heat capacities of eight organic liquids at 25�, 35�, and 45�C. Using Eyring's equation, the free volumes have been calculated from the sound velocity data. For pure liquids, a quantity Cv* = (Cv)L- (Cv)g- Cstr called the residual heat capacity is found to be linearly dependent on free volume. Analysis of the data for 34 liquids shows that a plot of residual heat capacity against the free volume gives a series of straight lines differing in slopes for different groups of liquids such as hydrocarbons, halogen-substituted hydrocarbons, alcohols, etc. This behaviour is ascribed as being due to different degrees of rotational freedom of molecules in these liquids.

Heat capacity, enthalpy fluctuations, and configurational entropy in broken ergodic systems

2010 ◽  
Vol 133 (16) ◽  
pp. 164503 ◽  
Author(s):  
John C. Mauro ◽  
Roger J. Loucks ◽  
Sabyasachi Sen
Keyword(s):  
Heat Capacity ◽  
Configurational Entropy

scholarly journals Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at 298.15K by Means of the Group-Additivity Method

Molecules ◽  
2020 ◽  
Vol 25 (5) ◽  
pp. 1147
Author(s):  
Rudolf Naef
Keyword(s):  
Experimental Data ◽  
Heat Capacity ◽  
Goodness Of Fit ◽  
Cross Validation ◽  
Solid Phase ◽  
Linear Equations ◽  
Heat Capacities ◽  
Molecular Volume ◽  
Complementary Method ◽  
Standard Deviations

The calculation of the isobaric heat capacities of the liquid and solid phase of molecules at 298.15 K is presented, applying a universal computer algorithm based on the atom-groups additivity method, using refined atom groups. The atom groups are defined as the molecules’ constituting atoms and their immediate neighbourhood. In addition, the hydroxy group of alcohols are further subdivided to take account of the different intermolecular interactions of primary, secondary, and tertiary alcohols. The evaluation of the groups’ contributions has been carried out by solving a matrix of simultaneous linear equations by means of the iterative Gauss–Seidel balancing calculus using experimental data from literature. Plausibility has been tested immediately after each fitting calculation using a 10-fold cross-validation procedure. For the heat capacity of liquids, the respective goodness of fit of the direct (r2) and the cross-validation calculations (q2) of 0.998 and 0.9975, and the respective standard deviations of 8.24 and 9.19 J/mol/K, together with a mean absolute percentage deviation (MAPD) of 2.66%, based on the experimental data of 1111 compounds, proves the excellent predictive applicability of the present method. The statistical values for the heat capacity of solids are only slightly inferior: for r2 and q2, the respective values are 0.9915 and 0.9874, the respective standard deviations are 12.21 and 14.23 J/mol/K, and the MAPD is 4.74%, based on 734 solids. The predicted heat capacities for a series of liquid and solid compounds have been directly compared to those received by a complementary method based on the "true" molecular volume and their deviations have been elucidated.

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