Estimation of environment-related properties of chemicals for design of sustainable processes: Development of group-contribution+ (GC +) property models and uncertainty analysis

Journal of Chemical Information and Modeling

Volumn 52, Issue 11, 2012, Pages 2823-2839

  Hukkerikar, Amol Shivajirao ^a   Kalakul, Sawitree ^b   Sarup, Bent ^c   Young, Douglas M ^d   Sin, Gürkan ^a   Gani, Rafiqul ^a  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b CHULALONGKORN UNIVERSITY   (Thailand)

^c ALFA LAVAL   (Denmark)

^d U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AGRICULTURAL ROBOTS; CHEMICAL ANALYSIS; CHEMICAL RESISTANCE; ECODESIGN; ENVIRONMENTAL PROTECTION AGENCY; GLOBAL WARMING; ORGANIC CHEMICALS; OZONE LAYER; PARAMETER ESTIMATION; QUALITY CONTROL; RELIABILITY ANALYSIS; SUSTAINABLE DEVELOPMENT;

BIO-CONCENTRATION FACTORS; GLOBAL WARMING POTENTIAL; OZONE DEPLETION POTENTIAL; PERMISSIBLE EXPOSURE LIMITS; PHOTOCHEMICAL OXIDATION; STATISTICAL INFORMATION; SYSTEMATIC METHODOLOGY; US ENVIRONMENTAL PROTECTION AGENCY;

UNCERTAINTY ANALYSIS;

AIR; ANIMAL; ARTICLE; CHEMICAL DATABASE; CYPRINIFORMES; DAPHNIA; ENVIRONMENT; ENVIRONMENTAL EXPOSURE; ENVIRONMENTAL MONITORING; GREEN CHEMISTRY; LD 50; METHODOLOGY; POLLUTANT; PROPORTIONAL HAZARDS MODEL; RAT; REPRODUCIBILITY; SOIL; SOLUBILITY; STATISTICS;

AIR; ANIMALS; CYPRINIDAE; DAPHNIA; DATABASES, CHEMICAL; ENVIRONMENT; ENVIRONMENTAL EXPOSURE; ENVIRONMENTAL MONITORING; ENVIRONMENTAL POLLUTANTS; GREEN CHEMISTRY TECHNOLOGY; LETHAL DOSE 50; PROPORTIONAL HAZARDS MODELS; RATS; REPRODUCIBILITY OF RESULTS; RESEARCH DESIGN; SOIL; SOLUBILITY;

EID: 84870014665     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300350r     Document Type: Article

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