CAJ | 학술논문

建立了PET固相缩聚反应的数学模型，对相对分子质量及粒子内部相对分子质量的梯度分布的模拟与实验结果相符。实验假定粒子内任一微小体积元内聚合物的相对分子质量服从Flory分布，计算产物相对分子质量多分散系数MWD，发现粒子内相对分子质量的梯度分布对产物相对分子质量分布的加宽无明显的贡献。认为相对分子质量分布的加宽是由于晶区被排除在反应体系以外造成的，且反应条件越苛刻，相对分子质量分布越宽。
건립료PET고상축취반응적수학모형，대상대분자질량급입자내부상대분자질량적제도분포 적모의여실험결과상부。실험가정입자내임일미소체적원내취합물적상대분자질량복종Flory분포， 계산산물상대분자질량다분산계수MWD，발현입자내상대분자질량적제도분포대산물상대분자질 량분포적가관무명현적공헌。인위상대분자질량분포적가관시유우정구피배제재반응체계이외조성적，차반응조건월 가각，상대분자질량분포월관。
A mathematical model for solid-state polycondensation (SSP ) of poly(ethylene terephthalate) (PET) was developed. The relative molecular ma ss at different reaction times and the gradient of average molecular mass along the radius that were predicted by the model were validated with experimental dat a. In addition, assuming that the normal MWD holds locally for each different de pth in a planar particle, the relative molecular mass distribution MWD of the en tire particle was calculated. The calculation demonstrated that the MWD increase little during SSP process. The broadening of the molecular weight distribution is attributed to the mechanism that the crystalline fraction was excluded from t he reactive system, but not to the gradient of average molecular weight. The str icter the reaction conditions, the wider the relative molecular mass distribution.