Heat capacity of lithium oxide from 306 to 1073 K

Tanifuji, T.; Shiozawa, K.; Nasu, Shōichi

doi:10.1016/0022-3115(78)90464-6

Cited by 25 publications

(20 citation statements)

References 4 publications

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“…For comparison, the figure shows the temperature depen dences of the compressibility and the specific heat obtained in our work (dashed lines) and those calcu lated in [3] (solid lines) and also the experimental data taken from [5,46] (points). It should be noted that, in [3], the thermodynamic functions were calculated using the total phonon spectrum of Li 2 O in the quasi harmonic approximation, whereas in our case, we used only its long wavelength part.…”

Section: Oxidementioning

confidence: 93%

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Ab initio calculations of the thermodynamic parameters of lithium, sodium, and potassium oxides under pressure

2012

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The parameters of the equation of state and Grüneisen parameters for lithium, sodium, and potas sium oxides have been calculated in the generalized gradient approximation of the density functional theory using a linear combination of atomic orbitals with the CRYSTAL09 software package. The frequencies of long wavelength normal mode vibrations have also been calculated and the dependence of these frequencies on the pressure has been established. The Debye temperature has been determined from the elastic charac teristics of the compounds. The dependences of the Debye temperature, compressibility, thermodynamic potential, entropy, specific heat, thermal expansion coefficient, and thermal conductivity coefficient on the pressure in the range from -3 to -15 GPa and on the temperature have been calculated in the quasi harmonic Debye model. The results obtained are in satisfactory agreement with the available reference and experimen tal data.

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Section: Oxidementioning

confidence: 93%

“…1. Temperature dependences of (a) the specific heat at constant pressure C P and (b) the compressibility V/V 0 for Li 2 O according to the data obtained in this study (dashed lines), the results of the calculation performed in [3] (solid lines), and the experimental data reported in [5,46] (points).…”

Section: Oxidementioning

confidence: 96%

Ab initio calculations of the thermodynamic parameters of lithium, sodium, and potassium oxides under pressure

2012

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“…Calculated specific heat at constant pressure, C P (T) have been compared with available data [36][37][38][39][40] in Fig. 3 for both the systems.…”

Section: Specific Heatmentioning

confidence: 99%

“…There is a large increase in specific heat [36][37][38]] at high temperatures in UO 2 . Li 2 O shows a sudden decrease in the value of the C 11 elastic constant at the transition temperature, T c~1 200 K (the melting point T m of Li 2 O is 1705 K [22]), but there seems no drastic change in the specific heat [39,40]. Both these compounds comply with the general belief that fluorites (antifluorites) in general show a diffuse transition at about 0.8Tm (T m = melting point, Tm of UO2 is 3120 K).…”

Section: Introductionmentioning

confidence: 99%

Fast ion diffusion, superionic conductivity and phase transitions of the nuclear materials UO₂ and Li₂O

Goel

Choudhury

Chaplot

2007

J. Phys.: Condens. Matter

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Lattice dynamics and molecular dynamics studies of the oxides UO 2 and Li 2 O in their normal as well as superionic phase are reported. Lattice dynamics calculations have been carried out using a shell model in the quasiharmonic approximation. The calculated elastic constants, phonon frequencies and specific heat are in good agreement with reported experimental data, which help validate the interatomic potentials required for undertaking molecular dynamics simulations. The calculated free energies reveal high pressure fluorite to cottunite phase transitions at 70 GPa for UO 2 and anti-fluorite to anti-cotunnite phase transformation at 25 GPa for Li2O, in agreement with reported experiments. Molecular dynamics studies shed important insights into the mechanisms of diffusion and superionic behavior at high temperatures. The calculated superionic transition temperature of Li 2O is 1000 K, while that of UO2 is 2300 K.

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“…[42] Further heat capacity data can be found in the JANAF tables, [43] which were used in the assessment of Knacke et al [44] The latest assessment of the Li-O system by Chang and Hallstedt [45] took the data of Jonston and Bauer [41] and JANAF [43] into account to optimize the parameters for the Gibbs free energy expression for Li 2 O.…”

Section: Literature Reviewmentioning

confidence: 99%

Heat Capacities of LiCu2O2 and CuO in the Temperature Range 323-773 K and Cu2O in the Temperature Range 973-1273 K

Lepple

Cupid

Franke

et al. 2014

J. Phase Equilib. Diffus.

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The Li-Cu-O system is a promising materials system for the development of new anode materials for lithium ion batteries based on copper oxides. The specific heat capacities of binary and ternary oxides in this system are required to generate thermodynamic descriptions using the CALPHAD method. Additionally, heat capacity data can be used to support development of thermal management systems for the lithium ion batteries based on these materials. In this study, differential scanning calorimetry was used to measure the heat capacities of the binary copper oxides and of the ternary LiCu 2 O 2 . The heat capacity of CuO was measured from 323 to 773 K and that of Cu 2 O was measured from 973 to 1273 K. The heat capacity of CuO is in good agreement with literature data. However, the heat capacity of Cu 2 O is slightly lower than that calculated using CALPHAD-based thermodynamic descriptions of the Cu-O system but higher than that determined using ab initio calculations. Although the synthesis of single phase LiCu 2 O 2 is difficult because of the mixed oxidation states of Cu, our heat capacity measurements show that the constituent additivity method can be used to estimate the heat capacity of LiCu 2 O 2 .

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Heat capacity of lithium oxide from 306 to 1073 K

Cited by 25 publications

References 4 publications

Ab initio calculations of the thermodynamic parameters of lithium, sodium, and potassium oxides under pressure

Ab initio calculations of the thermodynamic parameters of lithium, sodium, and potassium oxides under pressure

Fast ion diffusion, superionic conductivity and phase transitions of the nuclear materials UO₂ and Li₂O

Heat Capacities of LiCu2O2 and CuO in the Temperature Range 323-773 K and Cu2O in the Temperature Range 973-1273 K

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Heat capacity of lithium oxide from 306 to 1073 K

Cited by 25 publications

References 4 publications

Ab initio calculations of the thermodynamic parameters of lithium, sodium, and potassium oxides under pressure

Ab initio calculations of the thermodynamic parameters of lithium, sodium, and potassium oxides under pressure

Fast ion diffusion, superionic conductivity and phase transitions of the nuclear materials UO2 and Li2O

Heat Capacities of LiCu2O2 and CuO in the Temperature Range 323-773 K and Cu2O in the Temperature Range 973-1273 K

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Fast ion diffusion, superionic conductivity and phase transitions of the nuclear materials UO₂ and Li₂O