The chemical structure dependence of interaction strength between polymers and mobility of polymer chains in the polymer interface |
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| Affiliation: | 1. Red River College, 2055 Notre Dame Ave, Winnipeg, MB, R3H 0J8, Canada;2. H. K. College of Pharmacy, Jogeshwari (W), Mumbai, 400102, India;3. Dr. Bhanuben Nanavati College of Pharmacy, Vile Parle (W), Mumbai, 400056, India;1. Section of Urologic Oncology, Rutgers Cancer Institute of New Jersey, Rutgers, The State University of New Jersey, New Brunswick, NJ;2. Department of Biostatistics, Rutgers School of Public Health, Piscataway, NJ;3. Division of Urology, Rutgers Robert Wood Johnson Medical School, New Brunswick, NJ;4. Sungkyunkwan University School of Medicine, Seoul, Korea;5. Department of Urology, Kyungpook National University School of Medicine, Daegu, Korea;6. Department of Urology, Chungbuk National University College of Medicine, Cheongju, Korea;1. Instituto de Química, Universidade de São Paulo, Bioquímica Avenida Lineu Prestes, 748 05508000 São Paulo Brazil;2. In Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto (FFCLRP) Universidade de São Paulo, Brazil;3. In Departamento de Química Fundamental, Centro de Ciências Exatas e da Natureza, Universidade Federal de Pernambuco, Brazil;1. Physics Department, Lomonosov Moscow State University, Moscow 119991, Russian Federation;2. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow 119991, Russian Federation;3. National Research South Ural State University, Chelyabinsk 454080, Russian Federation |
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| Abstract: | The structural difference of the interface between polypropylene pair (PP/PP) and polypropylene and poly(ethylene-alt-propylene) pair (PP/EAP) was investigated using molecular dynamics and molecular mechanics, under a two-dimensional periodic boundary condition (2DPBC). From the position of the end group of each polymer chain, the influence of the chemical structure and the mobility of the polymer chain were considered. In the PP/PP system, the end group is mainly located in the middle region of each polymer layer. In the PP/EAP system, the PP end group and the ethylene end group of EAP are also located in the middle region of each polymer layer, but the propylene end group of EAP is located very near the interface. These results suggest that the mobility of the middle part of the polymer chain is not so small, and that the similarity in the chemical structure, which is a measure of the interaction strength between polymers, plays an important role in the early stage of adhesion. An easy and efficient estimation method of the interaction strength between polymer pairs is also proposed, and the influence of the component sequence in copolymer on the interaction strength is systematically estimated. |
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