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Thermodynamics of high‐temperature aluminum, zirconium, and yttrium hydroxide and oxyhydroxide vapor species

https://doi.org/10.1111/jace.17213
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Prospects for Ultra-High-Temperature Ceramic Composites
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Vaporization of Protective Oxide Films into Different Gas Atmospheres
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The effect of H2O gas on volatilities of planet-forming major elements: I. Experimental determination of thermodynamic properties of Ca-, Al-, and Si-hydroxide gas molecules and its application to the solar nebula
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Thermodynamic properties of individual substances
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Vapor transport of fission products under nuclear accident conditions
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Thermodynamics and vaporization of ceramics based on the Y2O3-ZrO2 system studied by KEMS
inferredcites →https://doi.org/10.1016/j.jeurceramsoc.2010.02.011openalex-snapshot
Stability of rare earth oxides in a moist environment at high temperatures—Experimental and thermodynamic studies. Part I: The way to assess thermodynamic parameters from volatilisation rates
inferredcites →https://doi.org/10.1016/j.jeurceramsoc.2010.02.012openalex-snapshot
Stability of rare earth oxides in a moist environment at elevated temperatures—Experimental and thermodynamic studies
inferredcites →https://doi.org/10.1016/j.jeurceramsoc.2015.11.016openalex-snapshot
A method for assessing the volatility of oxides in high-temperature high-velocity water vapor
inferredcites →https://doi.org/10.1016/j.jpcs.2004.06.044openalex-snapshot
Interactions of water vapor with oxides at elevated temperatures
inferredcites →https://doi.org/10.1016/s0009-2614(89)87395-6openalex-snapshot
A fifth-order perturbation comparison of electron correlation theories
inferredcites →https://doi.org/10.1016/s0364-5916(02)00035-4openalex-snapshot
FactSage thermochemical software and databases
inferredcites →https://doi.org/10.1016/s0364-5916(02)00037-8openalex-snapshot
Thermo-Calc & DICTRA, computational tools for materials science
inferredcites →https://doi.org/10.1021/acs.jpca.7b08614openalex-snapshot
Computational and Experimental Study of Thermodynamics of the Reaction of Titania and Water at High Temperatures
inferredcites →https://doi.org/10.1021/j100041a052openalex-snapshot
Theoretical Study of the Thermochemistry of Molecules in the Si-O-H System
inferredcites →https://doi.org/10.1021/j100096a001openalex-snapshot
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
inferredcites →https://doi.org/10.1021/jp013128ropenalex-snapshot
BAC-G2 Predictions of Thermochemistry for Gas-Phase Aluminum Compounds
inferredcites →https://doi.org/10.1021/jp0647380openalex-snapshot
Theoretical and Experimental Investigation of the Thermochemistry of CrO 2 (OH) 2 (g)
inferredcites →https://doi.org/10.1039/fs9730800121openalex-snapshot
Mass spectrometer studies of Al + H2O reactions in effusion cells and in atmospheric H2+ O2 flames
inferredcites →https://doi.org/10.1063/1.1515314openalex-snapshot
The generalized Douglas–Kroll transformation
inferredcites →https://doi.org/10.1063/1.1520138openalex-snapshot
Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited
inferredcites →https://doi.org/10.1063/1.1723744openalex-snapshot
Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation I. Rigid Frame with Attached Tops
inferredcites →https://doi.org/10.1063/1.2647019openalex-snapshot
Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y–Pd
inferredcites →https://doi.org/10.1063/1.456153openalex-snapshot
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
inferredcites →https://doi.org/10.1063/1.462569openalex-snapshot
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
inferredcites →https://doi.org/10.1063/1.464303openalex-snapshot
Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1063/1.465990openalex-snapshot
Coupled cluster theory for high spin, open shell reference wave functions
inferredcites →https://doi.org/10.1063/1.473863openalex-snapshot
Basis-set convergence of correlated calculations on water
inferredcites →https://doi.org/10.1063/1.475616openalex-snapshot
Identification and treatment of internal rotation in normal mode vibrational analysis
inferredcites →https://doi.org/10.1111/j.1551-2916.2004.01701.xopenalex-snapshot
Alumina Volatility in Water Vapor at Elevated Temperatures
inferredcites →https://doi.org/10.1111/jace.15922openalex-snapshot
Thermodynamic properties of Si( OH ) 4 (g) based on combined experimental and quantum chemistry data
inferredcites →https://doi.org/10.1111/jace.16410openalex-snapshot
Quantum chemical calculations of the thermochemistry of tantalum oxyhydroxide species
inferredcites →https://doi.org/10.1111/jace.16915openalex-snapshot
Stability of the Y 2 O 3 –SiO 2 system in high‐temperature, high‐velocity water vapor
inferredcites →https://doi.org/10.1146/annurev-matsci-071312-121636openalex-snapshot
Water Vapor–Mediated Volatilization of High-Temperature Materials
inferredcites →https://doi.org/10.1146/annurev.pc.32.100181.002043openalex-snapshot
Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules
inferredcites →https://doi.org/10.4028/www.scientific.net/kem.122-124.527openalex-snapshot
Applications of Zirconia Ceramics

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4798152openalex-extracted
Compound Database for Gaseous Metal Hydroxides and Oxyhydroxides
inferred← citeshttps://doi.org/10.1007/s00214-022-02867-9openalex-snapshot
The reliability of the small-core lanthanide effective core potentials
inferred← citeshttps://doi.org/10.1016/j.calphad.2024.102707openalex-snapshot
Compound database for gaseous metal hydroxides and oxyhydroxides
inferred← citeshttps://doi.org/10.1021/acs.jpca.1c01059openalex-snapshot
Thermochemistry of Gaseous Ytterbium and Gadolinium Hydroxides and Oxyhydroxides
inferred← citeshttps://doi.org/10.1021/acs.jpca.2c00764openalex-snapshot
Computational Chemistry Derivation of Cr, Mn, and La Hydroxide and Oxyhydroxide Thermodynamics
inferred← citeshttps://doi.org/10.1021/acs.jpca.4c07024openalex-snapshot
The Heat Capacity of Al(OH)3 Revisited
inferred← citeshttps://doi.org/10.1021/acsearthspacechem.1c00332openalex-snapshot
Thermodynamic Modeling of Solubility of Corundum in Water at Supercritical Conditions
inferred← citeshttps://doi.org/10.1111/jace.19777openalex-snapshot
Holistic comparison of environmental barrier coating material candidates through design of a figure of merit
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