Computational modeling of the structure relaxation and dispersion thermodynamics of pristine and modified cellulose nanocrystals in solution

Nordic Pulp and Paper Research Journal

Volumn 29, Issue 1 Special Issue, 2014, Pages 144-155

  Stoyanov, Stanislav R ^a,b,c   Lyubimova, Olga ^a,b   Gusarov, Sergey ^a   Kovalenko, Andriy ^a,b  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITY OF ALBERTA   (Canada)

^c NATURAL RESOURCES CANADA   (Canada)

Author keywords

Aqueous electrolyte solution; Effective interaction; Functionalized cellulose nanocrystals; Hydrogen bonding; Ionic liquid; Non polar solvent; Solvation free energy; Solvation thermodynamics; Statistical mechanical 3d rism kh molecular theory of solvation

Indexed keywords

ADDITIVES; CELLULOSE; CELLULOSE DERIVATIVES; COMPUTATION THEORY; DISPERSIONS; ELECTROLYTES; FREE ENERGY; HYDROGEN BONDS; IONIC LIQUIDS; MECHANICAL PROPERTIES; NANOCOMPOSITES; NANOCRYSTALS; SODIUM CHLORIDE;

AQUEOUS ELECTROLYTE SOLUTIONS; CELLULOSE NANO-CRYSTALS; EFFECTIVE INTERACTIONS; MOLECULAR THEORY OF SOLVATION; NON-POLAR SOLVENTS; SOLVATION FREE ENERGIES; SOLVATION THERMODYNAMICS;

SOLVATION;

CELLULOSE; HYDROGEN BONDS; SOLVENTS;

EID: 84991408442     PISSN: 02832631     EISSN: 20000669     Source Type: Journal    
DOI: 10.3183/npprj-2014-29-01-p144-155     Document Type: Article

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