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Monte Carlo simulation for the micellar behavior of amphiphilic comb-like copolymers

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Abstract

Micellar behaviors in 2D and 3D lattice models for amphiphilic comb-like copolymers in water phase and in water/oil mixtures were simulated. A dynamical algorithm together with chain reptation movements was used in the simulation. Three-dimension displaying program was programmed and free energy was estimated by Monte Carlo technique. The results demonstrate that reduced interaction energy influences morphological structures of micelle and emulsion systems greatly; 3D simulation showing can display more direct images of morphological structures; the amphiphilic comb-like polymers with a hydrophobic main chain and hydrophilic side chains have lower energy in water than in oil.

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Authors and Affiliations

  1. Qingdao Institute of Chemical Technology, 266042, Qingdao, China

    Ying Feng & Jiaxian Sui

  2. Material Department of Jilin University, 130021, Changchun, China

    Jiruo Zhao & Xinfang Chen

Authors
  1. Ying Feng
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  2. Jiaxian Sui
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  3. Jiruo Zhao
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  4. Xinfang Chen
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Correspondence to Xinfang Chen.

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Feng, Y., Sui, J., Zhao, J. et al. Monte Carlo simulation for the micellar behavior of amphiphilic comb-like copolymers. Sc. China Ser. B-Chem. 43, 366–374 (2000). https://doi.org/10.1007/BF02969442

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  • DOI: https://doi.org/10.1007/BF02969442

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