Theoretical insights into the surface growth of rutile TiO2

Combustion and Flame

Volumn 158, Issue 10, 2011, Pages 1868-1876

  Shirley, Raphael ^a   Akroyd, Jethro ^a   Miller, Luke A ^a   Inderwildi, Oliver R ^c   Riedel, Uwe ^b   Kraft, Markus ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF STUTTGART   (Germany)

^c UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

Surface growth; Titanium dioxide; Titanium tetrachloride

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION PROCESS; ERROR BOUND; GAS-PHASE CONCENTRATION; GROWTH PROCESS; KINETIC CONSTANT; KINETIC MODELS; PHENOMENOLOGICAL MODELS; PLANE-WAVE BASIS SET; PLUG FLOW REACTOR; PSEUDOPOTENTIALS; QUANTITATIVE PREDICTION; RATE LIMITING; RUTILE TIO2; SECONDARY REACTIONS; SURFACE GROWTH; THEORETICAL CALCULATIONS; THEORETICAL LIMITS; TIO; TITANIUM TETRACHLORIDE; TRANSITION STATE THEORIES;

ACTIVATION ENERGY; ADSORPTION; ERROR ANALYSIS; OXIDE MINERALS; RATE CONSTANTS; TITANIUM; TITANIUM DIOXIDE;

DENSITY FUNCTIONAL THEORY;

OXYGEN; TITANIUM DIOXIDE; TITANIUM TETRACHLORIDE;

ADSORPTION KINETICS; ANALYTICAL ERROR; ARTICLE; CHEMICAL REACTION; COMBUSTION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; ENERGY CONVERSION; EQUILIBRIUM CONSTANT; GAS; MOLECULAR DYNAMICS; PHASE TRANSITION; PLUG FLOW REACTOR; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; SIMULATION; SURFACE PROPERTY; THEORETICAL STUDY; VIBRATION;

EID: 80052374768     PISSN: 00102180     EISSN: 15562921     Source Type: Journal    
DOI: 10.1016/j.combustflame.2011.06.007     Document Type: Article

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