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An algorithm for simulating equilibrium adsorption characteristics of branched copolymer chains at solid-liquid interface

DSpace at IIT Bombay

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Title An algorithm for simulating equilibrium adsorption characteristics of branched copolymer chains at solid-liquid interface
 
Creator AUSTINE, J
MOHITE, LV
JUVEKAR, VA
 
Subject statistical-mechanical treatment
adsorbed polymer-chains
block-copolymers
linear-polymers
star polymers
surfaces
systems
comb
thermodynamics
architecture
adsorption
branched
continuum model
copolymer
mean field theory
random flight model
 
Description An algorithm is developed for simulating adsorption of tree type block-branched copolymer chains, of arbitrary architecture, from dilute solutions to solid surfaces. A continuum form of the self-consistent field (SCF) theory is used. The chain architecture is first represented by a convergent tree-graph, which is then converted into a special type of the connectivity matrix. This matrix is used for computing the configurational statistics of the chains in the adsorbed layer. The crucial step in the algorithm is to compute the junction (branch point) probability weights. A stepwise procedure for computing these prob ability weights is described. The capability of the algorithm has been demonstrated using illustrative examples.
 
Publisher WILEY-V C H VERLAG GMBH
 
Date 2011-09-01T14:35:37Z
2011-12-26T12:59:41Z
2011-12-27T05:52:20Z
2011-09-01T14:35:37Z
2011-12-26T12:59:41Z
2011-12-27T05:52:20Z
2007
 
Type Article
 
Identifier MACROMOLECULAR THEORY AND SIMULATIONS, 16(4), 412-429
1022-1344
http://dx.doi.org/10.1002/mats.200600070
http://dspace.library.iitb.ac.in/xmlui/handle/10054/12801
http://hdl.handle.net/10054/12801
 
Language en