Polymer(Korea), Vol.23, No.4, 533-541, July, 1999
폴리페닐렌숙시네이트 입체배좌의 통계적 해석
Conformational Statistics of Poly(p-phenylene succinate) (PPSc)
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초록
폴리페닐렌숙시네이트(PPSc)의 각 결합의 통계적 가중치를 실험적으로 결정된 PPScdml 비섭동 크기 (Kθ)를 바탕으로 결정하였다. 결정된 통계적 가중치는 γ=1, σκ=1.4, ση=1.4 그리고 ωηκ=0.1 이었다. 이 가중치를 이용하여 PPSc 용융시의 분자내에서 입체형태의 변화에 의한 엔트로피의 변화(ΔSconf)와 용융 엔탈피의 변화 (ΔEconf)그리고 PPSc 사슬의 비섭동 크기의 온도 의존성을 계산하였다. 계산된 ΔSconf 는 PET와 PPSc가 큰 차이가 없었으며 ΔEconf는 PET가 양의 값을, PPSc가 음의 값을 가졌다. 또한 비서동 크기의 온도 의존성은 PET는 양의 값을 갖는데 반하여 PPSc의 경우는 음의 값을 보였다.
The statistical weight parameters of poly(p-phenylene succinate) (PPSc) were determined by the best fit of Kθη = 1.4 and ωηκ = 0.1. The change of conformational entropy (ΔEconf) of fusion, and the temperature dependence of unperturbed dimension of PPSc were calculated. Even though
ΔSconf of poly(ethylene terephthalate) (PET) and PPSc were close to each other, the ΔEconf of PET was positive but that of PPSc was negative. For the temperature dependence of unperturbed dimension, PET showed positive value contrary to negative value for PPSc.
Keywords:poly(p-phenylene succinate) (PPSc);unperturbed dimension;conformational statistics;conformational entropy and energy of fusion;temperature dependence of unpertrubed dimension
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