Origin of the difference in structural behavior of poly(acrylic acid) and poly(methacrylic acid) in aqueous solution discerned by explicit-solvent explicit-ion MD simulations

Industrial and Engineering Chemistry Research

Volumn 50, Issue 21, 2011, Pages 11785-11796

  Sulatha, Muralidharan S ^a   Natarajan, Upendra ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY MADRAS   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC SIMULATIONS; BACKBONE STRUCTURES; CARBOXYLATE GROUPS; CONFORMATIONAL BEHAVIOR; CORRELATION DISTANCE; COUNTERIONS; DILUTE AQUEOUS SOLUTION; FORCE FIELD PARAMETERS; HYDRATION BEHAVIORS; MD SIMULATION; POLY (METHACRYLIC ACID); POLY(ACRYLIC ACID ); POLYACRYLIC ACIDS; POLYELECTROLYTE CHAIN; POLYIONS; POOR SOLVENTS; SOLVENT QUALITY; STRUCTURAL BEHAVIORS;

CARBOXYLATION; CARBOXYLIC ACIDS; POLYACRYLATES; SOLUTIONS; SOLVENTS;

BEHAVIORAL RESEARCH;

EID: 80055052682     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie2014845     Document Type: Article

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