A computational study on thermo-mechanical characterization of carbon nanotube reinforced natural rubber
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MRS Advances © 2019 Materials Research Society DOI: 10.1557/adv.2018.680
A computational study on thermo-mechanical characterization of carbon nanotube reinforced natural rubber Manish Dhawan1, Raj Chawla1 1
Department of Mechanical Engineering, Lovely Professional University, Phagwara-144411, Punjab, India.
ABSTRACT
A computational study based on molecular dynamics simulation technique has been used to predict the mechanical and thermal behavior of carbon nanotube (CNT) reinforced natural rubber (NR) composites. A single-walled 5,5 armchair type CNT has been used for this purpose. In this study, a comparison has been made between pristine and functionalized CNTs. The functionalization groups used in this study were carboxylic (COOH), ester (COOCH3) and hydroxyl (OH). The studies show the improvement in elastic properties of developed composites in the presence of functionalization group. In addition, the effect of volume fraction and 1-25% addition of functionalization group has been studied. The obtained simulation results show the better load-transfer capacity in developed polymer system and improved elastic modulus. Thermal properties of developed composite systems were studied by non-equilibrium molecular dynamics method (NEMD). The addition of functionalized CNTs shows enhanced mechanical and thermal properties.
INTRODUCTION By now, CNTs have already attracted a lot of researchers because of their eminent physical properties that includes mechanical, thermal as well as electrical properties. CNTs were unknown three decades ago. It was year 1991 when CNTs were discovered by Iijima [1]. An expansive scope of warm, basic and electronic properties has been appeared by the CNT. A broad range of thermal, structural and electronic properties have been shown by the CNT. These properties vary with the nanotube types which are not just confined to SWNT or MWNT, but types are numerous based on their length, aspect ratio, functional group attached or angle of twist etc. Addition of
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additional functional groups to the surface of any material is called functionalization. In other words, it is the process of adding new features, functions, properties, or capabilities to a material by changing the surface properties of the material. It is a basic technique used throughout materials science, chemistry, biological engineering, and nanotechnology. Carbon nanotubes (CNTs)/rubber composites have aroused a tremendous attraction in the past decade due to the excellent mechanical and electrical properties of CNTs [2]. In the form of functionalization, carbon or hydrogen atoms introduced to form covalent bonds with carbon atoms on the CNT. These atoms may affect the properties of CNTs [3]. Covalent bonds which have been developed due to specific functional groups onto the surface of SW
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