Modeling the Thermal Decomposition of Solids on the Basis of Lattice Energy Changes

Croix, Annemarie de La; English, Robin B.; Brown, Michael E.; Glasser, Leslie

doi:10.1006/jssc.1997.7746

Cited by 15 publications

(9 citation statements)

References 46 publications

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“…The reaction model is more reasonable to be R2 according to the results of the model‐free and model‐fitting methods. It should be pointed out that there are many decomposition pathways in which the crystal structure of calcium carbonate is converted into the product while losing the gaseous constituent 20 . R2 is the apparent reaction mechanism that may be the overall presentation of many basic reaction pathways.…”

Section: Resultsmentioning

confidence: 99%

Application of Non‐Arrhenius Equations in Interpreting Calcium Carbonate Decomposition Kinetics: Revisited

Chen

Liu

2010

Journal of the American Ceramic Society

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Thermal decomposition kinetics of calcium carbonate was studied by non‐isothermal thermogravimetric analysis at different heating rates. The reaction mechanism was found to follow a two‐dimensional phase boundary‐controlled model by model‐free and model‐fitting methods. Two non‐Arrhenius equations (Harcourt–Esson equation and Berthelot–Hood equation) were used to interpret the decomposition kinetics and the results were correlated with those by using the Arrhenius equation. The ambiguous operations in kinetic analysis in the literature, including the determination of reaction mechanism by the shape of thermogravimetry/DTG curves and the correlation of the kinetic parameters of non‐Arrhenius and Arrhenius equations, were discussed. Some suggestions were proposed when using non‐Arrhenius equations in interpreting solid decomposition kinetics.

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Section: Resultsmentioning

confidence: 99%

Application of Non‐Arrhenius Equations in Interpreting Calcium Carbonate Decomposition Kinetics: Revisited

Chen

Liu

2010

Journal of the American Ceramic Society

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“…In the future the decomposition of MgF in the electron beam would be a very interesting subject for real-time TV images. Model calculations for this system seem to be promissing, too, as they are reported for the decomposition of alkaline earth carbonates (2) and for the respective peroxides (3).…”

Section: Mg#hmentioning

confidence: 94%

Decomposition of MgF2 in the Transmission Electron Microscope

Zenser

Gruehn

Liebscher

2001

Journal of Solid State Chemistry

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“…The enthalpy changes for the decompositions, calculated from standard enthalpies of formation (9) Lattice energies are formally calculated at 0 K, but crystal structure data refer to room temperature, so that fitting is effectively at room temperature. Now, H" º# »+ º# nRT, where n ( "2 for reactions [1] and [2]) is the change in the number of gaseous molecules. Therefore, using ¹"298 K, nRT+5 kJ mol\.…”

Section: Setting the Decomposition Pathwaymentioning

confidence: 99%

“…Table 6 gives the enthalpies for reactions [1] to [5] for Sr and Ba. The processes involved are summarized in Fig.…”

Section: Setting the Decomposition Pathwaymentioning

confidence: 99%

Modeling the Thermal Decomposition of Solids on the Basis of Lattice Energy Changes

Croix¹,

English²,

Brown³

et al. 1998

Journal of Solid State Chemistry

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In Part 1, the decompositions of the alkaline-earth metal (Ca, Sr, Ba) carbonates to their oxides, with the release of CO 2 gas, were modeled by devising a symmetry-based sequence of steps by which the reactant structure is converted to the product structure. Lattice energies were evaluated at each step to yield energy profiles for the postulated reaction processes. The observed (apparent) activation energies were comparable to the energy barriers for the postulated mechanisms, suggesting that the postulated mechanisms are energetically feasible. The calculations are repeated here (in Part 2) for the decompositions of the corresponding alkaline-earth peroxides. The energy barriers found are low compared to the observed activation energies. This result is taken to suggest that the postulated processes are energetically inaccessible. Academic Press 346

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Modeling the Thermal Decomposition of Solids on the Basis of Lattice Energy Changes

Cited by 15 publications

References 46 publications

Application of Non‐Arrhenius Equations in Interpreting Calcium Carbonate Decomposition Kinetics: Revisited

Application of Non‐Arrhenius Equations in Interpreting Calcium Carbonate Decomposition Kinetics: Revisited

Decomposition of MgF2 in the Transmission Electron Microscope

Modeling the Thermal Decomposition of Solids on the Basis of Lattice Energy Changes

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