Low-temperature molar heat capacities and entropies of MnO2 (pyrolusite), Mn3O4 (hausmanite), and Mn2O3 (bixbyite)

Robie, Richard A.; Hemingway, Bruce S.

doi:10.1016/0021-9614(85)90069-2

Cited by 63 publications

(54 citation statements)

References 30 publications

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“…Orthorhombic ␣-bixbyite (␣-Mn 2 O 3 ) transforms to cubic ␤-bixbyite [59] at around 300 K. This transformation is associated with a -like peak in the c P curve at 307.5 K [60] ( Fig. 8).…”

Section: Manganosite (Mn 1−x O)mentioning

confidence: 89%

Assessment of the Mn-O system

Grundy

Hallstedt

Gauckler

2003

JPE

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Experimental data on the thermodynamics and the phase diagram of the Mn-O system were reviewed, and by application of the CALPHAD method, a consistent set of thermodynamic model parameters was optimized. The phases pyrolusite (MnO 2 ), bixbyite (Mn 2 O 3 ), and hausmannite (Mn 3 O 4 ) were described as stoichiometric compounds. Manganosite (Mn 1−x O) was described using the compound-energy model and the liquid described using the two-sublattice model for ionic liquids.

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Section: Manganosite (Mn 1−x O)mentioning

confidence: 89%

Assessment of the Mn-O system

Grundy

Hallstedt

Gauckler

2003

JPE

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“…The heat content of a-Mn 3 O 4 has been measured by Southard and Moore [28] and Fritsch and Navrotsky. [66] The magnetic transition temperature was measured by two authors [64,65] with excellent agreement between their values, 43.15 and 43.12 K respectively.…”

Section: Mn 3 Omentioning

confidence: 99%

“…There are many determinations on the enthalpy of formation, D o f H 298 , [25,38,[53][54][55][56][57][58][59][60][61][62] the entropy at 298.15 K, o S 298 , [25,37,59,[62][63][64][65] and heat capacity, c p , [37,64,65] see Table 1. The heat content of a-Mn 3 O 4 has been measured by Southard and Moore [28] and Fritsch and Navrotsky.…”

Section: Mn 3 Omentioning

confidence: 99%

Thermodynamic Assessment of the Fe-Mn-O System

Kjellqvist

Selleby

2010

J. Phase Equilib. Diffus.

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The C-Cr-Fe-Ni-O system has recently been studied with the intention to thermodynamically describe the influence of oxygen on high alloyed steels. In this study the ternary Fe-Mn-O system is assessed and part of the binary Mn-O system is reassessed. a-and b-hausmannite (Mn 3 O 4 ) were earlier described as stoichiometric phases, but are here described using the compound energy formalism with a four sublattice model to be consistent with the preceding study of the Cr-Fe-Ni-O spinel. The liquid phase is assessed using the ionic two-sublattice model. Good agreement between calculated and experimental values is achieved.

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“…The heat capacity has been obtained by calorimetry, and the thermal stability and phase transitions have been analysed by TG, differential TG and DTA [26][27][28][29]. Quantum mechanical sim- ulations have been performed to study the formation energies of this series by adopting different density functionals (PW91 [25] and, PBE, PBE+U, PBE0 and HSE [30]).…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic stability of LaMnO3and its competing oxides: A hybrid density functional study of an alkaline fuel cell catalyst

et al. 2011

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The phase stability of LaMnO 3 with respect to its competing oxides is studied using hybridexchange density functional theory (DFT) as implemented in CRYSTAL09. The underpinning DFT total energy calculations are embedded in a thermodynamic framework that takes optimal advantage of error cancellation within DFT. It has been been found that by using the ab initio thermodynamic techniques described here, the standard Gibbs formation energies can be calculated to a significantly greater accuracy than was previously reported (a mean error of 1.6% with a maximum individual error of -3.0%). This is attributed to both the methodology for isolating the chemical potentials of the reference states, as well as the use of the B3LYP functional to thoroughly investigate the ground state energetics of the competing oxides.

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Low-temperature molar heat capacities and entropies of MnO2 (pyrolusite), Mn3O4 (hausmanite), and Mn2O3 (bixbyite)

Cited by 63 publications

References 30 publications

Assessment of the Mn-O system

Assessment of the Mn-O system

Thermodynamic Assessment of the Fe-Mn-O System

Thermodynamic stability of LaMnO3and its competing oxides: A hybrid density functional study of an alkaline fuel cell catalyst

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