Some calculations methods for estimation of thermodynamical and thermochemical properties of inorganic compounds

Moiseev, G. K.; Šesták, Jaroslav

doi:10.1016/0960-8974(95)00011-u

Cited by 30 publications

(10 citation statements)

References 7 publications

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“…Estimation methods show their importance for computing thermodynamical and thermochemical properties of many inorganic compounds [46] as documanted on the well screened Y-Ba--Cu--O system [20][21][22][23][24][25][26][27][28][29][30][31][32][33]. It certainly would be a useful complementary source of data for existing databases [31,35,38,47].…”

Section: Discussionmentioning

confidence: 99%

Some thermodynamic aspects of highT c superconductors

Šesták

Sedmidubský

Moiseev

1997

Journal of Thermal Analysis

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Thermochemical and thermodynamical properties of HTSC phases are reviewed for the Y-Ba-Cu--O system and also presented for the newly calculated Bi--Sr-Cu--O system stressing out stoichiometric and phenomenological viewpoints. Simulated data are listed for (/-/~298--/~o), phase transformation temperatures, standard entropies, standard enthalpies of formation, heat capacities in crystalline phase, etc. Pseudobinary phase diagrams are treated showing the effect of oxygen partial pressure particularly illustrated on the (Sr, Bi, Ba)--Cu--O system.

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Section: Discussionmentioning

confidence: 99%

Some thermodynamic aspects of highT c superconductors

Šesták

Sedmidubský

Moiseev

1997

Journal of Thermal Analysis

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“…Various empirical methods have been employed in estimating the enthalpy of formation of mixed oxides from either the elements, D f H, or the constituent binary oxides, D ox H [7,8]. The simplest, and most general, method is that proposed by Aronson [9].…”

Section: Methods For Estimating the Enthalpy Of Formation Of Mixed Oxmentioning

confidence: 99%

A method for the estimation of the enthalpy of formation of mixed oxides in Al2O3–Ln2O3 systems

Voňka

Leitner

2009

Journal of Solid State Chemistry

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“…Correlation methods providing the estimation of the missing entropy values with a reasonable accuracy can fill this gap. A variety of techniques are presently available for the estimation of standard entropy [18][19][20][21][22][23]. Atomic masses, molar masses, atomic numbers of elements and molar volumes are used as the most accessible physical quantities.…”

Section: Introductionmentioning

confidence: 99%

A Method of Nano-Size Intermetallic Compounds and Heusler Phases Entropy Estimation

Glibin¹

2016

J Nanosci Adv Tech

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A new approach to predict the standard entropy of crystal intermetallic compounds and Heusler phases with fairy good accuracy was developed. In the conjunction with Jiang and Yang's equation which links the entropy of nano-sized materials with crystal ones, this approach allows to make estimations for nanointermetallic materials and nano-Heusler phases. The approach is based on the Grimvall and coworkers' idea that the difference in the atomic masses accounts for almost all differences in the entropy among chemically similar compounds. This idea was implemented through the correlation equations between natural logarithm of the entropy of binary intermetallic compounds and the reduced mass of a pair of interacting atoms in the compound. The regularities that link together fitting constants of the correlation equations for different groups of similar compounds have been revealed. Based on the obtained correlations, simple and well-defined predictive schemes were developed. The constituent additivity method as an expression of the additivity principle for entropy has been successfully applied for the standard entropy prediction of complex (M m X n , n ≥ 2) intermetallic compounds and Heusler phases. The mean deviations of the standard entropy estimations from experimental and/or tabulated data with the use of the obtained correlations are in the range of ±1-5%. In the conjunction with the Debye theory of heat capacity, the proposed schemes provide the assessment of the temperature dependences of intermetallic compounds and Heusler phases entropy.

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Some calculations methods for estimation of thermodynamical and thermochemical properties of inorganic compounds

Cited by 30 publications

References 7 publications

Some thermodynamic aspects of highT c superconductors

Some thermodynamic aspects of highT c superconductors

A method for the estimation of the enthalpy of formation of mixed oxides in Al2O3–Ln2O3 systems

A Method of Nano-Size Intermetallic Compounds and Heusler Phases Entropy Estimation

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