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oxygen permeation rate through pbat: a molecular dynamics simulation
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نویسنده
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irajian bardia ,barari paria
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منبع
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پانزدهمين همايش بين المللي علوم و فناوري پليمر - 1401 - دوره : 15 - پانزدهمین همایش بین المللی علوم و فناوری پلیمر - کد همایش: 01220-96957 - صفحه:0 -0
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چکیده
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In this study, material studio software was used to simulate the structure of poly(butylene adipate-co-terephtalate) (pbat) and calculate the oxygen permeation rate. compass force field was also used for optimization. the results from the simulation were compared to experimental results and the relative error was calculated.
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کلیدواژه
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modeling ,molecular dynamics ,material studio ,permeation ,pbat
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آدرس
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, iran, , iran
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Authors
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