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1Environmental Stress Cracking
1Molecular Simulation
1Polyethylene
1Polymer properties

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1Thesis

Supervisors

1Joao Soares (Department of Chemical and Material Engineering)
1Phillip Choi (Department of Chemical and Material Engineering)

Author / Creator / Contributor

1Kavyani Baghbaderani, Sajjad

Year

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1Graduate and Postdoctoral Studies (GPS), Faculty of
1Graduate and Postdoctoral Studies (GPS), Faculty of/Theses and Dissertations

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1English

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1Department of Chemical and Materials Engineering

Investigation of the Molecular Mechanism of the Environmental Stress Cracking of Polyethylene by Molecular Simulation
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Fall 2024

Kavyani Baghbaderani, Sajjad

In this molecular dynamics (MD) simulation study, we investigated the impact of an environmental stress cracking (ESC) agent, nonyl ethoxylate (NE), on the packing and free volume coalescence in between polyethylene chains and the ESC agent, focusing on linear polyethylene (LPE) and branched...

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Investigation of the Molecular Mechanism of the Environmental Stress Cracking of Polyethylene by Molecular Simulation