On-the-Fly Kinetic Monte Carlo Simulation of Aqueous Phase Advanced Oxidation Processes

Environmental Science and Technology

Volumn 49, Issue 15, 2015, Pages 9230-9236

  Guo, Xin ^a   Minakata, Daisuke ^b   Crittenden, John ^a  

^a Georgia Institute of Technology   (United States)

^b Michigan Technological University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONE; BYPRODUCTS; COMPUTATIONAL EFFICIENCY; DEGRADATION; DIFFERENTIAL EQUATIONS; INTELLIGENT SYSTEMS; MOLECULAR WEIGHT; MOLECULAR WEIGHT DISTRIBUTION; MOLECULES; NUMERICAL METHODS; ORDINARY DIFFERENTIAL EQUATIONS; OXIDATION RESISTANCE; RATE CONSTANTS; REACTION INTERMEDIATES; REACTION KINETICS;

ADVANCED OXIDATION PROCESS; ADVANCED OXIDATION PROCESSES; AVERAGE MOLECULAR WEIGHT; DEGRADATION MECHANISM; DEGRADATION PATHWAYS; KINETIC MONTE CARLO MODELING; KINETIC MONTE CARLO SIMULATION; POLYACRYLAMIDE(PAM);

MONTE CARLO METHODS;

ACETONE; CARBOXYLIC ACID; HYDROGEN; HYDROGEN PEROXIDE; HYDROXYL RADICAL; MACROGOL; NATURAL ORGANIC MATTER; POLYACRYLAMIDE; TITANIUM DIOXIDE; ACRYLIC ACID RESIN; CARBON; TITANIUM; WATER;

BIODEGRADATION; COMPUTER SIMULATION; MOLECULAR ANALYSIS; MONTE CARLO ANALYSIS; NUMERICAL MODEL; ORGANIC COMPOUND; OXIDATION; OXIDE; POLYMER; QUANTITATIVE ANALYSIS; SIMULATION; ULTRAVIOLET RADIATION;

AQUEOUS PHASE ADVANCED OXIDATION PROCESS; ARTICLE; DEGRADATION; ELECTRON TRANSPORT; KINETICS; MOLECULAR WEIGHT; MONTE CARLO METHOD; OXIDATION; PHYSICAL PHASE; QUANTUM YIELD; REACTION ANALYSIS; ULTRAVIOLET RADIATION; CHEMISTRY; COMPUTER SIMULATION; OXIDATION REDUCTION REACTION; REPRODUCIBILITY; THEORETICAL MODEL; TIME FACTOR;

ACRYLIC RESINS; CARBON; COMPUTER SIMULATION; KINETICS; MODELS, THEORETICAL; MONTE CARLO METHOD; OXIDATION-REDUCTION; REPRODUCIBILITY OF RESULTS; TIME FACTORS; TITANIUM; ULTRAVIOLET RAYS; WATER;

EID: 84938674762     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/acs.est.5b02034     Document Type: Article

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