مطالعه اثر وزن مولکولی پلی دی ال-لاکتیک اسید بر پارامترهای حافظه شکلی به کمک شبیه‌سازی دینامیک مولکولی

الموضوعات :

محمد امینی ¹ , عباس منتظری ²

1 - دانشجوی مهندسی و علم مواد، دانشگاه خواجه نصیرالدین طوسی، تهران، ایران.
2 - دانشیار، دانشکده مهندسی و علم مواد، دانشگاه خواجه نصیرالدین طوسی، تهران، ایران.

تاريخ الإرسال : 05 الخميس , جمادى الأولى, 1443 تاريخ التأكيد : 03 الأحد , شعبان, 1443 تاريخ الإصدار : 23 الأربعاء , ذو القعدة, 1443

الکلمات المفتاحية: وزن مولکولی, شبیه‌سازی دینامیک مولکولی, پلی‌لاکتیک اسید, خاصیت حافظه شکلی, دمای انتقال شیشه‌ای,

ملخص المقالة :

پلیمرهای حافظه دار زیرمجموعه‌ای از مواد هوشمند هستند که می‌توانند شکل اولیه‌شان را بعد از تغییر شکل موقت بازیابی نمایند. این دسته از پلیمرها دارای کاربردهای فراوانی بوده و در سال های اخیر نظر بسیاری از صنایع (به‌خصوص پزشکی) را به خود جلب کرده‌اند. هدف اصلی این مطالعه، بررسی تأثیر وزن مولکولی بر پارامترهای مختلف حافظه شکلی پلیمر می‌باشد. علاوه بر این، مکانیزم های حاکم بر رفتار حافظه‌داری پلیمرها مورد مطالعه قرار می‌گیرد. محاسبه‌ی دمای انتقال شیشه ای و تأثیر این پارامتر بر رفتار حافظه شکلی پلیمر از دیگر اهداف این پژوهش می باشند. در این مطالعه، همه مدل‌ها با نرم‌افزار متریالز استودیو ساخته شده و تمامی شبیه‌سازی‌ها با استفاده از نرم‌افزار لمپس انجام شده است. طبق نتایج حاصل، دمای انتقال شیشه‌ای پلیمر با افزایش درجه پلیمریزاسیون افزایش می‌یابد. ادامه‌ی مطالعات در راستای دستیابی به ریزساختاری بهینه نشان داد که با افزایش وزن مولکولی از g/mol 36000 به g/mol108000، پارامتر تثبیت شکل از 90% به 94% افزایش می‌یابد. برخلاف تثبیت شکل، پارامتر بازیابی شکل روندی نزولی را با افزایش وزن مولکولی دنبال می‌کند. این روند کاهشی، ناشی از افزایش نسبت فاز ثابت به فاز بازگشت‌پذیر با افزایش وزن مولکولی پلیمر است.

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