Prediction of Hildebrand solubility parameters of acrylate and methacrylate monomers and their mixtures by molecular simulation

Journal of Applied Polymer Science

Volumn 116, Issue 1, 2010, Pages 1-9

  Lewin, John L ^a,b,c   Maerzke, Katie A ^a,b   Schultz, Nathan E ^d   Ross, Richard B ^d   Siepmann, J Ilja ^a,b  

^a University of Minnesota   (United States)

^b UNIVERSITY OF MINNESOTA   (United States)

^c AUGSBURG COLLEGE   (United States)

^d 3M COMPANY   (United States)

Author keywords

Acrylates; Methacrylates; Monte Carlo simulations; Solubility parameter

Indexed keywords

2-ETHYL HEXYL ACRYLATE; ACRYLIC ACIDS; ALKYL ACRYLATES; COHESIVE ENERGIES; DREIDING FORCE FIELD; FORCE FIELDS; HILDEBRAND; HILDEBRAND SOLUBILITY; HYDROXYETHYL ACRYLATE; ISOOCTYL ACRYLATE; LINEAR INTERPOLATION; METHACRYLATE MONOMERS; METHACRYLIC ACIDS; METHYL METHACRYLATES; MICROHETEROGENEITY; MOLAR VOLUMES; MOLECULAR SIMULATIONS; MONTE CARLO SIMULATION; NORMAL BOILING POINTS; PURE COMPOUNDS; SOLUBILITY PARAMETERS; TRANSFERABLE POTENTIALS; UNITED ATOMS;

CARBOXYLIC ACIDS; COMPUTER SIMULATION; ESTERIFICATION; ESTERS; MOLECULAR STRUCTURE; MONOMERS; MONTE CARLO METHODS; ORGANIC ACIDS; PHASE EQUILIBRIA; POLYACRYLATES; REFRACTIVE INDEX; SALTS; SOLUBILITY; TERNARY SYSTEMS;

BINARY MIXTURES;

ACRYLIC ACID; MONOMER; PREDICTIVE MODEL; SIMULATION; SOLUBILITY;

EID: 75449106179     PISSN: 00218995     EISSN: 10974628     Source Type: Journal    
DOI: 10.1002/app.31232     Document Type: Article

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