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Full-Text Articles in Chemical Engineering
Statistical Mechanics Of Worm-Like Polymers From A New Generating Function, Gustavo A. Carri, Marcelo Marucho
Statistical Mechanics Of Worm-Like Polymers From A New Generating Function, Gustavo A. Carri, Marcelo Marucho
College of Polymer Science and Polymer Engineering
We present a mathematical approach to the worm-like chain model of semiflexible polymers. Our method is built on a novel generating function from which all the properties of the model can be derived. Moreover, this approach satisfies the local inextensibility constraint exactly. In this paper, we focus on the lowest order contribution to the generating function and derive explicit analytical expressions for the characteristic function, polymer propagator, single chain structure factor, and mean square end-to-end distance. These analytical expressions are valid for polymers with any degree of stiffness and contour length. We find that our calculations are able to capture …
Onset Of Tethered Chain Overcrowding, William Y. Chen, Joseph X. Zheng, Stephen Z. D. Cheng, Christopher Y. Li, Ping Huang, Huiming Xiong, Qing Ge, Ya Guo, Roderic P. Quirk, Bernard Lotz, Lingfeng Deng, Chi Wu, Edwin L. Thomas
Onset Of Tethered Chain Overcrowding, William Y. Chen, Joseph X. Zheng, Stephen Z. D. Cheng, Christopher Y. Li, Ping Huang, Huiming Xiong, Qing Ge, Ya Guo, Roderic P. Quirk, Bernard Lotz, Lingfeng Deng, Chi Wu, Edwin L. Thomas
College of Polymer Science and Polymer Engineering
We proposed an approach to precisely control the density of tethered chains on solid substrates using PEO-b-PS and PLLA-b-PS. As the crystallization temperature T-x increased, the PEO or PLLA lamellar crystal thickness d(L) increased as well as the reduced tethering density (σ) over tilde of the PS chains. The onset of tethered PS chains overcrowding in solution occurs at (σ) over tilde*similar to3.7-3.8 as evidenced by an abrupt change in the slope between (d(L))(-1) and T-x. This results from the extra surface free energy created by the tethered chain that starts to affect the growth barrier of the crystalline blocks.
Role Of Curvature Elasticity In Sectorization And Ripple Formation During Melt Crystallization Of Polymer Single Crystals, Rujul Mehta, Wirunya Keawwattana, Andrew L. Guenthner, Thein Kyu
Role Of Curvature Elasticity In Sectorization And Ripple Formation During Melt Crystallization Of Polymer Single Crystals, Rujul Mehta, Wirunya Keawwattana, Andrew L. Guenthner, Thein Kyu
College of Polymer Science and Polymer Engineering
The present article focuses on theoretical elucidation of possible effect of mechanical deformation on spatio-temporal emergence of unusual polymer morphology subjected to quiescent isothermal crystallization conditions. The present theory developed is based on a phase field model consisted of non-conserved time dependent Ginzburg-Landau equation having an asymmetric double well potential in the crystal order parameter signifying metastability for crystallization, coupled with the chain tilt angle involving curvature elasticity and strain recovery potentials. Under quiescent crystallization conditions, the curvature elasticity term is needed to discern the emergence of sectorized single crystals. Upon coupling with the strain recovery potential, the numerical calculation …
Modification Of Statistical Threading In Two-Component Pseudorotaxane Melts Using The Amphiphilic Approach And Variations In The Confinement Geometry, Sagar S. Rane, Wayne L. Mattice, Coleen Pugh
Modification Of Statistical Threading In Two-Component Pseudorotaxane Melts Using The Amphiphilic Approach And Variations In The Confinement Geometry, Sagar S. Rane, Wayne L. Mattice, Coleen Pugh
College of Polymer Science and Polymer Engineering
Recently we described a coarse-grained model of poly(ethylene oxide) and then employed that model to study the amount of spontaneous threading of cyclic molecules by linear chains in the melt [C. A. Helfer, G. Xu, W. L. Mattice, and C. Pugh, Macromolecules 36, 10071 (2003)]. Since the amount of statistical threading at equilibrium is small, there is interest in identifying physical changes in the system that will increase the threading. We now use that coarse-grained model to investigate the effect on threading of various hypothetical (but feasible) modifications to the two-component system of macrocycles and linear chains in the melt, …
Growth Dynamics Of Isotactic Polypropylene Single Crystals During Isothermal Crystallization From A Miscible Polymeric Solvent, Rujul Mehta, Wirunya Keawwattana, Thein Kyu
Growth Dynamics Of Isotactic Polypropylene Single Crystals During Isothermal Crystallization From A Miscible Polymeric Solvent, Rujul Mehta, Wirunya Keawwattana, Thein Kyu
College of Polymer Science and Polymer Engineering
The present article presents a spatiotemporal growth of isotactic polypropylene (iPP) single crystals, melt crystallized from a polymeric solvent, i.e., poly (ethylene octene) copolymer that is known to be miscible with iPP. Optical and atomic force microscopic investigations reveal that the melt grown single crystals of iPP develop in the form of two parallel rows of crystal lamellae, but these crystals merge at the tips. To elucidate the mechanism of these emerging parallel rows of iPP crystals, a phase field model pertaining to solidification phenomena has been employed that involves a nonconserved crystal order parameter and a chain-tilting angle. This …