COMPUTER SIMULATION OF A SINGLE POLYMER CHAIN IN DIFFERENT SOLVENTS

来源 :Chinese Journal of Polymer Science | 被引量 : 0次 | 上传用户:deskleg
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In the present paper, the behavior of a single polymer chain under various solvent conditions was modeled by self-avoiding walks (SAW) with nearest neighbors attraction Δε on a simple cubic lattice. Determination of the θ-condition wasbased on the numerical results of the mean square radius of gyration and end-to-end distance. It was found that at the θtemperatue Δε/kT equals -0.27. The exponents a in the Mark-Houwink equation with different interaction parameters areconsistent with the results of experiments: under θ-condition, a = 0.5, and for a good solvent α= 0.74-0.84, respectively. In the present paper, the behavior of a single polymer chain under various solvent conditions was modeled by self-avoided walks (SAW) with nearest neighbors attraction Δε on a simple cubic lattice. Determination of the θ-condition was based on the numerical results of the mean square radius of gyration and end-to-end distance. It was found that at the θtemperatue Δε / kT equals -0.27. The exponents a in the Mark-Houwink equation with different interaction parameters areconsistent with the results of experiments: under θ- condition, a = 0.5, and for a good solvent α = 0.74-0.84, respectively.
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