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Reports in Theoretical Chemistry Volume 4, 2016 - Issue
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Original Research

Does ethylene gas collapse on polymerization to polyethylene?

Nisha SatheeshSchool of Chemical Sciences and Centre for High Performance Computing, Mahatma Gandhi University, Kottayam, Kerala, IndiaCorrespondence[email protected] [email protected]
&
AS PadmanabhanSchool of Chemical Sciences and Centre for High Performance Computing, Mahatma Gandhi University, Kottayam, Kerala, IndiaCorrespondence[email protected] [email protected]
Pages 1-9 | Published online: 18 Mar 2016

Figures & data

Table 1 Exact values of μG(n), σG(n), μU(n), σU(n), and in two dimensions

Table 2 Exact values of μG(n), σG(n), μU(n), σU(n), and in three dimensions

Figure 1 Plot of the characteristic ratio vs the number of bonds in PE with LJP at 1,080 K for uniform and GSAW distributions.

Abbreviations: PE, polyethylene; LJP, Lennard–Jones potential; GSAW, growing self-avoiding walk; UM, uniform.
Figure 1 Plot of the characteristic ratio vs the number of bonds in PE with LJP at 1,080 K for uniform and GSAW distributions.

Figure 2 Plot of the characteristic ratio vs the number of bonds in PE with Kihara potential at 1,000 K for uniform and GSAW distributions.

Abbreviations: PE, polyethylene; GSAW, growing self-avoiding walk; UM, uniform.
Figure 2 Plot of the characteristic ratio vs the number of bonds in PE with Kihara potential at 1,000 K for uniform and GSAW distributions.

Figure 3 Plot of the characteristic ratio vs the number of bonds in PE with Kihara potential at 413 K for uniform and GSAW distributions.

Abbreviations: PE, polyethylene; GSAW, growing self-avoiding walk; UM, uniform.
Figure 3 Plot of the characteristic ratio vs the number of bonds in PE with Kihara potential at 413 K for uniform and GSAW distributions.

Figure 4 Plot of the characteristic ratio vs the number of bonds in PE with Kihara potential at 298 K for uniform and GSAW distributions.

Abbreviations: PE, polyethylene; GSAW, growing self-avoiding walk; UM, uniform.
Figure 4 Plot of the characteristic ratio vs the number of bonds in PE with Kihara potential at 298 K for uniform and GSAW distributions.

Figure 5 Plot of the characteristic ratio vs the number of bonds in PE with Kihara potential at 100 K for uniform and GSAW distributions.

Abbreviations: PE, polyethylene; GSAW, growing self-avoiding walk; UM, uniform.
Figure 5 Plot of the characteristic ratio vs the number of bonds in PE with Kihara potential at 100 K for uniform and GSAW distributions.

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