Rotational Isomeric State Analysis of Poly(oxyethylene). Conformational Energies and the Random-Coil Configuration

1985 ◽  
Vol 17 (7) ◽  
pp. 883-893 ◽  
Author(s):  
Akihiro Abe ◽  
Kenzabu Tasaki ◽  
James E Mark
Keyword(s):  
Isomeric State ◽  
Random Coil ◽  
Rotational Isomeric State ◽  
Conformational Energies ◽  
State Analysis

Thermoelastic Properties of Rubberlike Networks and Their Thermodynamic and Molecular Interpretation

1973 ◽  
Vol 46 (3) ◽  
pp. 593-618 ◽  
Author(s):  
J. E. Mark
Keyword(s):  
Isomeric State ◽  
State Theory ◽  
Thermoelastic Properties ◽  
Chain Molecules ◽  
Rotational Isomeric State ◽  
Theoretical Investigations ◽  
Molecular Interpretation ◽  
Molecular Aspects ◽  
Insight Into ◽  
Conformational Energies

Abstract Thermoelastic measurements and their interpretation by means of rotational isomeric state theory provide a great deal of insight into both thermodynamic and molecular aspects of rubberlike elasticity. Furthermore, conformational energies obtained in part from thermoelastic studies can in turn be used in the interpretation and even prediction of a variety of configurationally dependent properties of chain molecules, as is shown in many of the theoretical investigations cited in Sections IV and VII of this review.

Conformational energies and random‐coil configuration of poly(3,3‐dimethyl oxetane) (PDO)

1980 ◽  
Vol 73 (2) ◽  
pp. 958-964 ◽  
Author(s):  
E. Saiz ◽  
E. Riande ◽  
J. Guzmán ◽  
J. de Abajo
Keyword(s):  
Random Coil ◽  
Conformational Energies

scholarly journals Application of Rotational Isomeric State Theory to Ionic Polymer Stiffness Predictions

2005 ◽  
Vol 20 (9) ◽  
pp. 2443-2455 ◽  
Author(s):  
Lisa Mauck Weiland ◽  
Emily K. Lada ◽  
Ralph C. Smith ◽  
Donald J. Leo
Keyword(s):  
Isomeric State ◽  
Mechanical Response ◽  
Physical Structure ◽  
State Theory ◽  
Chain Conformation ◽  
Ionic Polymer ◽  
Polymer Morphology ◽  
Rotational Isomeric State ◽  
Material Stiffness ◽  
Chain Lengths

Presently, rotational isomeric state (RIS) theory directly addresses polymer chain conformation as it relates to mechanical response trends. The primary goal of this work is to explore the adaptation of this methodology to the prediction of material stiffness. This multiscale modeling approach relies on ionomer chain conformation and polymer morphology and thus has potential as both a predictive modeling tool and a synthesis guide. The Mark–Curro Monte Carlo methodology is applied to generate a statistically valid number of end-to-end chain lengths via RIS theory for four solvated Nafion® cases. For each case, a probability density function for chain length is estimated using various statistical techniques, including the classically applied cubic spline approach. It is found that the stiffness prediction is sensitive to the fitting strategy. The significance of various fitting strategies, as they relate to the physical structure of the polymer, are explored so that a method suitable for stiffness prediction may be identified.

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