Does ethylene gas collapse on polymerization to polyethylene?
Authors Satheesh N, Padmanabhan A
Received 18 May 2015
Accepted for publication 15 December 2015
Published 18 March 2016 Volume 2016:4 Pages 1—9
Checked for plagiarism Yes
Review by Single-blind
Peer reviewers approved by Dr Ronei Miotto
Peer reviewer comments 4
Editor who approved publication: Dr Jorge Llano
Nisha Satheesh, AS Padmanabhan
School of Chemical Sciences and Centre for High Performance Computing, Mahatma Gandhi University, Kottayam, Kerala, India
Abstract: In this paper, we consider the question whether ethylene gas on polymerizing to linear polyethylene (PE) collapses from a coil-like state to a globular state on completion of the reaction. Our calculations seem to indicate that this is the case. In an attempt to explain this phenomenon, we define a statistic called the average atmosphere of a self-avoiding walk (SAW). We further demonstrate by means of exact enumeration that the expectation of this average and its variance differ for SAW with uniform probability distribution and growing SAW. For growing PE, we use the distribution used for growing self-avoiding walks with attraction between atoms being accounted for by means of an empirical potential energy function.
Keywords: coil, globular, average atmosphere, self-avoiding walk, repulsion, attraction
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