Karbon Nanotüp-Polimer Nanokompozitlerde Çok Boyutlu Modelleme ile Arayüz Özelliklerinin İncelenmesi

Year 2017, Volume: 20 Issue: 3, 503 - 511, 15.09.2017

Elif Özden Yenigün

Abstract

Bu çalışmada, karbon nanotüp (KNT) takviyeli nanolif
üretiminde başarılı sonuçlar veren polistiren-ko-glisidil metakrilat
P(St-ko-GMA) ve polivinil bütral (PVB) gibi iki farklı polimer sisteminde
polimer-karbon nanotüp ilişkisi çok boyutlu modelleme ile moleküler düzeyde
incelenmiştir. Sıklıkla takviye elemanı olarak kullanılan KNT’lerin iki farklı
boyut mertebesinde veri aktarımına izin verecek şekilde, önce dağınık partikül
dinamiği (DPD) ardından, geri-haritalama ile sağlanan atom detayı esas alınarak
moleküler dinamik (MD) hesaplama yöntemleri ile çok-boyutlu modellenmesi
sağlanmıştır. KNT takviyesinin arayüz yapısına, matris mekanik özelliklerine ve
camsı geçiş sıcaklığına olan etkisi iki farklı polimer sisteminde
karşılaştırmalı olarak incelenmiştir. Yapısında aromatik grup bulunan P(St-ko-GMA) polimerlerinin KNT ile π-π
etkileşimine girebildiği ve bu çekici etkileşiminin camsı geçiş sıcaklığı ve
mekanik özelliklerin artmasına sebep olduğu görülmüştür. PVB sistemlerinde ise
mekanik artış KNT’lerin kendi mukavim yapısı ile sınırlı kalmıştır.  

Keywords

Çok boyutlu modelleme, karbon nanotüp, polimer nanokompozit, moleküler dinamik, dağınık partikül dinamiği

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