Literature DB >> 18465938

Flexible chain molecules in the marginal and concentrated regimes: universal static scaling laws and cross-over predictions.

Manuel Laso1, Nikos Ch Karayiannis.   

Abstract

We present predictions for the static scaling exponents and for the cross-over polymer volumetric fractions in the marginal and concentrated solution regimes. Corrections for finite chain length are made. Predictions are based on an analysis of correlated fluctuations in density and chain length, in a semigrand ensemble in which mers and solvent sites exchange identities. Cross-over volumetric fractions are found to be chain length independent to first order, although reciprocal-N corrections are also estimated. Predicted scaling exponents and cross-over regimes are compared with available data from extensive off-lattice Monte Carlo simulations [Karayiannis and Laso, Phys. Rev. Lett. 100, 050602 (2008)] on freely jointed, hard-sphere chains of average lengths from N=12-500 and at packing densities from dilute ones up to the maximally random jammed state.

Entities:  

Year:  2008        PMID: 18465938     DOI: 10.1063/1.2912189

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

Review 1.  Combined molecular algorithms for the generation, equilibration and topological analysis of entangled polymers: methodology and performance.

Authors:  Nikos Ch Karayiannis; Martin Kröger
Journal:  Int J Mol Sci       Date:  2009-11-23       Impact factor: 6.208

2.  Spontaneous crystallization in athermal polymer packings.

Authors:  Nikos Ch Karayiannis; Katerina Foteinopoulou; Manuel Laso
Journal:  Int J Mol Sci       Date:  2012-12-24       Impact factor: 5.923

3.  Self-Avoiding Random Walks as a Model to Study Athermal Linear Polymers under Extreme Plate Confinement.

Authors:  Oscar Parreño; Pablo Miguel Ramos; Nikos Ch Karayiannis; Manuel Laso
Journal:  Polymers (Basel)       Date:  2020-04-03       Impact factor: 4.329

  3 in total

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