TY - JOUR
T1 - Conformational characteristics of poly(vinylpyrrolidone). solvent‐dependence of the chain dimensions
AU - Tarazona, María Pilar
AU - Saiz, Enrique
AU - Gargallo, Ligia
AU - Radic, Deodato
PY - 1993/9
Y1 - 1993/9
N2 - Conformational energies as function of rotational angles over two consecutive skeletal bonds for both meso and racemic diads of poly(Nvinyl‐2‐pyrrolidone) have been computed. The results of these calculations were used to formulate a statistical model that was then employed to calculate the unperturbed dimensions of this polymer. The conformational energies are sensitive to the Coulombic interactions, which are governed by the dielectric constant, of the solvent, and to the size of the solvent molecules. Consequently, the calculated values of the polymeric chain dimensions are strongly dependent on the nature of the solvent, as it was experimentally found before.
AB - Conformational energies as function of rotational angles over two consecutive skeletal bonds for both meso and racemic diads of poly(Nvinyl‐2‐pyrrolidone) have been computed. The results of these calculations were used to formulate a statistical model that was then employed to calculate the unperturbed dimensions of this polymer. The conformational energies are sensitive to the Coulombic interactions, which are governed by the dielectric constant, of the solvent, and to the size of the solvent molecules. Consequently, the calculated values of the polymeric chain dimensions are strongly dependent on the nature of the solvent, as it was experimentally found before.
UR - https://www.scopus.com/pages/publications/84981386025
U2 - 10.1002/mats.1993.040020507
DO - 10.1002/mats.1993.040020507
M3 - Article
AN - SCOPUS:84981386025
SN - 1022-1344
VL - 2
SP - 697
EP - 710
JO - Macromolecular Theory and Simulations
JF - Macromolecular Theory and Simulations
IS - 5
ER -