کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5453092 1513873 2017 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular dynamics simulation of the effects of affinity of functional groups and particle-size on the behavior of a graphene sheet in nanofluid
ترجمه فارسی عنوان
شبیه سازی دینامیک مولکولی اثرات وابستگی گروه های کاربردی و اندازه ذرات بر رفتار ورق گرافن در نانوسیم
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
چکیده انگلیسی


- The employed factor, speed of nanoparticle, describes the quantitative dispersion of nanofluid systematically and reasonably.
- The nanoparticles with more functional groups with more attractive interations show more stable dispersion in nanofluid.
- The particle-size effect revealed that the larger nanoparticles produced more stable dispersion in nanofluid.
- The properties of functional groups, charge and mass influences the speed of nanoparticles.

The practical application of thermally enhanced nanofluids in automotive industries for higher energy efficiency requires that nanoparticles be buoyant, leading to Brownian motion in the base fluid without aggregation. Numerous studies have reported the long-term stability of dispersions resulting from steric hindrance and an affinity for the surrounding base fluid via modification of nanoparticles with functional groups. In this study, we performed molecular dynamics simulations of nanofluids containing a single graphene sheet with various functional groups to investigate the influence of affinity, as well as particle-size, on the behavior of the graphene sheet. Using the concept of the speed of nanoparticle, we quantitatively evaluated the dependence of behavior on affinity to investigate whether having more functional groups with more attractive interactions has an impact on the stable dispersion in nanofluid. In addition, the simulation results for the particle-size effect revealed that the larger nanoparticles produced more stable dispersion in nanofluid. We concluded that the behavior of the graphene sheet depends on a combination of two factors: different charge assigned to atoms due to a nitrogen atom, and the difference in mass, which influences the speed of the nanoparticles.

Molecular dynamics simulation model for quantitative dispersion analysis.257

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 139, November 2017, Pages 202-208
نویسندگان
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