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- W2119067660 abstract "Molecular dynamics techniques were used to study oligomers that mimic cellulose and various derivatives in the amorphous phase, including cellulose (C), methyl cellulose (MC), hydroxypropyl cellulose (HPC), and carboxymethyl cellulose (CMC). Densities and solubility parameters were determined for a series of oligomers with increasing chain length. Both properties were found to change linearly with the degree of polymerization (from monomers to dodecamers). Extrapolated predictions of the densities (g/cm3) for long chain polymers are: C, 1.42; MC, 1.33; HPC, 1.30; and CMC, 1.42. Computed values for the solubility parameter (MPa1/2) are: C, 25.39; MC, 21.43; HPC, 21.70; and CMC, 24.35. We also evaluated the sensitivity of the solubility parameter to changes in the calculated density and found the dependence to be significant. The calculated solubility parameters were evaluated against experimental and other theoretical values as well as against selected ionic liquids comprised of cations in the imidazolium family and the chloride and trifluoroacetate anions." @default.
- W2119067660 created "2016-06-24" @default.
- W2119067660 creator A5017307672 @default.
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- W2119067660 date "2006-02-01" @default.
- W2119067660 modified "2023-10-06" @default.
- W2119067660 title "Molecular dynamic studies of the compatibility of some cellulose derivatives with selected ionic liquids" @default.
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- W2119067660 doi "https://doi.org/10.1080/08927020600669627" @default.
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