On the Heat Capacity of Pure Elements and Phases

Ferreira, Ivaldo Leão

doi:10.1590/1980-5373-MR-2020-0529

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Article • Mat. Res. 24 (2) • 2021 • https://doi.org/10.1590/1980-5373-MR-2020-0529 copy

On the Heat Capacity of Pure Elements and Phases

Authorship SCIMAGO INSTITUTIONS RANKINGS

Recently, a model was proposed to predict c_v as a function of temperature from the absolute zero to the melting temperature applied. This solution was based on critical grain nucleation to determine the volume, which contains the total number of modes for a particular equilibrium and non-equilibrium state to calculate the density of state (DoS), which is strongly dependent on the nucleus radius for both pure element and compound. Electronic and rotational energies were regarded for both elements and compounds in this formulation. The anomalies associated with c_v can be easily considered in terms of their entropies, independent of their nature, as a local change in the DoS. Comparisons of c_v for elements and compounds are performed against Thermodynamics software simulations and experimental data.

Keywords:
Molar heat capacity; Density of State; Elements and compounds; Computational Thermodynamics; Anomalies of heat capacity

Properties	Unit	Value
Aluminum Debye’s Temperature - $ Θ _{D, A l}$	$K$	433.0
Aluminum latent heat of fusion - $ Δ H_{A l}$	$J . m^{- 3}$	397000
Aluminum liquid phase density at the melting point - $ρ_{L, A l}$	$k g . m^{- 3}$	2557
Aluminum atomic radius – $r_{A l}$	pm	118
Iron Debye’s Temperature - $ Θ _{D, F e}$	$K$	477.0
Iron latent heat of fusion - $ Δ H_{F e}$	$J . m^{- 3}$	247400
Iron liquid phase density at the melting point - $ρ_{L, F e}$	$k g . m^{- 3}$	7030
Iron atomic radius – $r_{F e}$	pm	156
Zirconium Debye’s Temperature - $ Θ _{D, Z r}$	$K$	290.0
Zirconium latent heat of fusion - $ Δ H_{Z r}$	$J . m^{- 3}$	196000
Zirconium liquid phase density at the melting point - $ρ_{L, Z r}$	$k g . m^{- 3}$	6324.4
Zirconium atomic radius – $r_{Z r}$	pm	160
Beryllium Debye’s Temperature - $ Θ _{D, B e}$	$K$	981.0
Beryllium latent heat of fusion - $ Δ H_{B e}$	$J . m^{- 3}$	1728000
Beryllium liquid phase density at the melting point - $ρ_{L, B e}$	$k g . m^{- 3}$	1794.0
Beryllium atomic radius – $r_{B e}$	pm	112.0
Copper Debye’s Temperature - $ Θ _{D, C u}$	$K$	347.0
Copper latent heat of fusion - $ Δ H_{C u}$	$J . m^{- 3}$	209000
Copper liquid phase density at the melting point - $ρ_{L, C u}$	$k g . m^{- 3}$	8125.0
Copper atomic radius – $r_{C u}$	pm	145.0
Nickel Debye’s Temperature²⁷27 George PK, Thompson ED. The Debye temperature of Nickel from 0 to 300K. J Phys Chem Solids. 1967;28(12):2539-44. - $ Θ _{D, N i}$	$K$	477.0
Nickel latent heat of fusion - $ Δ H_{N i}$	$J . m^{- 3}$	298500
Nickel liquid phase density at the melting point - $ρ_{L, N i}$	$k g . m^{- 3}$	8237.91
Nickel atomic radius – $r_{N i}$	pm	149.0
Tellurium Debye’s Temperature - $ Θ _{D, T e}$	$K$	153.0
Tellurium atomic radius – $r_{T e}$	pm	138.0
Germanium Debye’s Temperature - $ Θ _{D, G e}$	$K$	371.0
Germanium atomic radius – $r_{G e}$	pm	122.0
GeTe latent heat of fusion - $ Δ H_{G e T e}$	$J . m^{- 3}$	236000.0
GeTe liquid phase density at the melting point - $ρ_{L, G e T e}$	$k g . m^{- 3}$	6100
GeTe fusion Temperature - $T_{F, G e T e}$	$K$	998.0
Planck constant - $h$	J.S	6.626 x 10^-34
Boltzmann constant- $k_{B}$	$J . K^{- 1}$	1.380658 x 10^-23
Gas constant - $R$	$J . m o l^{- 1} . K^{- 1}$	8.31451

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