Free Energy of a Wormlike Polymer Chain Confined in a Slit:  Crossover between Two Scaling Regimes

2006 ◽  
Vol 39 (22) ◽  
pp. 7769-7773 ◽  
Author(s):  
Jeff Z. Y. Chen ◽  
D. E. Sullivan
Keyword(s):  
Free Energy ◽  
Polymer Chain

The configurational free energy of a polymer chain

1992 ◽  
Vol 1 (5) ◽  
pp. 299-310 ◽  
Author(s):  
Fabio Ganazzoli ◽  
Giuseppe Allegra ◽  
Emanuele Colombo ◽  
Mario De Vitis
Keyword(s):  
Free Energy ◽  
Polymer Chain

scholarly journals Elucidating the Energetics and Effects of Solvents on Cellulose Hydrolysis Using a Polymeric Acid Catalyst

2018 ◽  
Vol 8 (10) ◽  
pp. 1767 ◽  
Author(s):  
Xiaoquan Sun ◽  
Xianghong Qian
Keyword(s):  
Free Energy ◽  
Catalytic Activity ◽  
Polymer Chain ◽  
Critical Role ◽  
Acid Catalyst ◽  
Cellulose Hydrolysis ◽  
Polymer Chains ◽  
Biomass Hydrolysis ◽  
Imidazolium Chloride ◽  
Polymeric Acid

A novel polymeric acid catalyst immobilized on a membrane substrate was found to possess superior catalytic activity and selectivity for biomass hydrolysis. The catalyst consists of two polymer chains, a poly(styrene sulfonic acid) (PSSA) polymer chain for catalyzing carbohydrate substrate, and a neighboring poly(vinyl imidazolium chloride) ionic liquid (PIL) polymer chain for promoting the solvation of the PSSA chain to enhance the catalytic activity. In order to elucidate the mechanism and determine the energetics of biomass catalytic processing using this unique catalyst, classical molecular dynamics (MD) coupled with metadynamics (MTD) simulations were conducted to determine the free energy surfaces (FES) of cellulose hydrolysis. The critical role that PIL plays in the catalytic conversion is elucidated. The solvation free energy and the interactions between PSSA, PIL, and cellulose chains are found to be significantly affected by the solvent.

Free energy of a long, flexible, self-avoiding polymer chain in a tube

1999 ◽  
Vol 59 (5) ◽  
pp. 5833-5838 ◽  
Author(s):  
Theodore W. Burkhardt ◽  
Ihnsouk Guim
Keyword(s):  
Free Energy ◽  
Polymer Chain

Polymer Chain Deformation in Stretched and Swollen Elastomers

1986 ◽  
Vol 79 ◽  
Author(s):  
Robert Ullman
Keyword(s):  
Free Energy ◽  
Polymer Chain ◽  
Small Angle Neutron Scattering ◽  
Experimental Information ◽  
Rubber Elasticity ◽  
Polymer Chains ◽  
New Developments ◽  
Dimensional Changes ◽  
The Mean ◽  
Actual Relation

AbstractIn the early theories of rubber elasticity, the retractive force and change in free energy of a stretched specimen were calculated from the deformation of the polymer chains of which the rubber network was formed. The mean chain deformation was presumed to be the same as that of the macroscopic specimen, an assumption which seemed reasonable, but could not be confirmed experimentally. Small angle neutron scattering (SANS) made measurement of chain dimensions possible, and it was soon discovered [1], [2] that the actual relation between dimensional changes of the polymer chain and deformation of the specimen was not at all what had been assumed.SANS studies of carefully prepared elastomeric networks provide the most direct experimental information required for a molecular theory of rubber elasticity, and have stimulated many new developments.

Encultured minds, not error reduction minds

2020 ◽  
Vol 43 ◽  
Author(s):  
Robert Mirski ◽  
Mark H. Bickhard ◽  
David Eck ◽  
Arkadiusz Gut
Keyword(s):  
Free Energy ◽  
Error Reduction ◽  
Energy Principle ◽  
Free Energy Principle ◽  
Current Article

Abstract There are serious theoretical problems with the free-energy principle model, which are shown in the current article. We discuss the proposed model's inability to account for culturally emergent normativities, and point out the foundational issues that we claim this inability stems from.

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