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題 名 | Phase Transitions in a Collapsed Macromolecule: A Histogram Monte Carlo Simulation |
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作 者 | Lai,Pik-yin; | 書刊名 | Chinese Journal of Physics |
卷 期 | 36:3 1998.06[民87.06] |
頁 次 | 頁494-500 |
分類號 | 333.22 |
關鍵詞 | |
語 文 | 英文(English) |
英文摘要 | Using the histogram Monte Carlo simulation method and the bond-fluctuation model, I investigate the coil-globule collapse transition of a macromolecular chain under variable solvent conditions. The critical transition temperature (θ -point) is accurately determined. Finite-size scaling results near the transition point are verified. Furthermore, the first-order transition associated with the freezing/crystallization of a polymer at a temperature below the θ -point is also observed. The free energy profiles associated with these two transitions are explicitly computed. PACS. 05.70.Jk - Critical point phenomena. PACS. 05.70.Fh - Phase transitions: general aspects. PACS. 61.41.+e - Polymers, elastomers, and plastics. |
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