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Conformations of fold part in isotactic polypropylene lamella with diamond lattice model

Authors:

Zhiping Zhou Deyue Yan

Affiliation:

(1) Department of Applied Chemistry, Shanghai Jiao Tong University, 200030 Shanghai, China

Abstract:

Based on the perfect rotational isomeric state model of isotactic polypropylene, the separation distances between an initial left helix stem and its re-entry stems have been investigated. The intervals are defined by the formulae

$D_1 = frac{{1.54}}{3}sqrt {8(k_1^2 + k_2^2 + k_1 k_2 )/3} ( times 10^{ - 1} nm)$

for the left helix re-entry stem and

$D_2 = frac{{1.54}}{3}sqrt {8[k_1^2 + k_2^2 + (k_1 - 1)k_2 + 1/3]/3} ( times 10^{ - 1} nm)$

for the right helix re-entry stem, wherek ₁ andk ₂ are integers. The right helix one is less existing because of possessing high energy. The most plausible fold conformation is tg⁻ tg⁻ tg⁺ g⁺ g⁻ for the most adjacent (010) fold. The next minimum energy fold segments are tg⁻ g⁻ tg⁺ tg⁺ tg⁻, g⁺g⁻ tg⁻tg⁺g⁺ t and g⁺g⁻g⁻tg⁺ tg⁺ t. Project supported by the National Natural Science Foundation of China.

Keywords:

crystal polypropylene conformations in the fold part.

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