Monte Carlo simulations are used to simulate a single polymer chain in a more generalized model. The more generalized model differs from the simpler models by including dipole-dipole interactions. The polymer chain is modeled as a freely rotating chain where the neighboring beads are connected by harmonic spring. Excluded volume effects are included employing modified Lennard-Jones potential. As the extension in this work, each monomer unit carries permanently a freely-rotating electric dipole moment. After getting the system equilibrated the average values are measured and Θ-temperature of the system is determined. The effects of the presence of the dipole moments to the Θ-temperature of the system are investigated. The results are analyzed in comparison with a bare model.
Polymer Chain Theta Temperature Monte Carlo Dipole-dipole interaction
TÜBİTAK
101M459
Dr. Christian Seidel ve Prof. Dr. İdris Gümüş
101M459
Birincil Dil | İngilizce |
---|---|
Konular | Metroloji,Uygulamalı ve Endüstriyel Fizik |
Bölüm | Araştırma Makalesi |
Yazarlar | |
Proje Numarası | 101M459 |
Yayımlanma Tarihi | 1 Ekim 2020 |
Gönderilme Tarihi | 29 Mart 2020 |
Kabul Tarihi | 20 Haziran 2020 |
Yayımlandığı Sayı | Yıl 2020 |
This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.