Academic Journal
Performance Evaluation of Nonacosan-10-ol-Based Polyethylene Packaging Material Using Molecular Dynamics Simulations
| العنوان: | Performance Evaluation of Nonacosan-10-ol-Based Polyethylene Packaging Material Using Molecular Dynamics Simulations |
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| المؤلفون: | Chandra Mouli R. Madhuranthakam, Sudharsan Pandiyan, Alexander Penlidis |
| المصدر: | Polymers, Vol 14, Iss 1779, p 1779 (2022) |
| بيانات النشر: | MDPI AG |
| سنة النشر: | 2022 |
| المجموعة: | Directory of Open Access Journals: DOAJ Articles |
| مصطلحات موضوعية: | nonacosan-10-ol, amorphous polyethylene, oxygen diffusion, molecular simulations, glass transition temperature, Organic chemistry, QD241-441 |
| الوصف: | Packaging material has a significant role in maintaining or altering the shelf life of different products. Polymer materials are extensively used as packaging materials for different perishable and non-perishable products both during transportation and storage. This article aims at developing a new polymer composite which can be used as packaging material. This new composite addresses the challenge of controlling oxygen diffusion rates during the storage of perishable goods such as vegetables, meat and produce, etc. The proposed new composite primarily consists of nonacosan-10-ol and polyethylene. Molecular dynamics simulations (MDS) are performed by mixing 5.2%, 17.1%, 29.2%, 40.8% and 45.2% (wt/wt) of nonacosan-10-ol to amorphous polyethylene. Mechanical properties such as Young’s modulus/glass transition temperature, and gas transport properties such as diffusion coefficient and diffusion volume are estimated from the MDS and diffusion related simulations consisting of different oxygen concentrations in polyethylene-alone system and polyethylene- nonacosan-10-ol blends. The impact of adding different weight percent of nonacosan-10-ol to polyethylene is quantitatively assessed and optimal composition of the proposed additive is suggested corresponding to minimal oxygen diffusion rate, high elastic modulus and good thermal stability. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| تدمد: | 2073-4360 |
| Relation: | https://www.mdpi.com/2073-4360/14/9/1779; https://doaj.org/toc/2073-4360; https://doaj.org/article/b8926d588bcf4a538cf7fc99f572b321 |
| DOI: | 10.3390/polym14091779 |
| الاتاحة: | https://doi.org/10.3390/polym14091779 https://doaj.org/article/b8926d588bcf4a538cf7fc99f572b321 |
| رقم الانضمام: | edsbas.4E9F1E59 |
| قاعدة البيانات: | BASE |
Full Text Finder | تدمد: | 20734360 |
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| DOI: | 10.3390/polym14091779 |