دورية أكاديمية

Specific Heat Capacity of Confined Water in Extremely Narrow Graphene Nanochannels

التفاصيل البيبلوغرافية
العنوان: Specific Heat Capacity of Confined Water in Extremely Narrow Graphene Nanochannels
المؤلفون: Runfeng Zhou, Xinyi Ma, Haoxun Li, Chengzhen Sun, Bofeng Bai
المصدر: Frontiers in Energy Research, Vol 9 (2021)
بيانات النشر: Frontiers Media S.A., 2021.
سنة النشر: 2021
المجموعة: LCC:General Works
مصطلحات موضوعية: nanoconfined water, specific heat capacity, molecular dynamics simulation (MD), hydrogen bond (HB), vibrational density-of-states (VDOS), General Works
الوصف: Specific heat capacity of extremely confined water determines its performance in the heat transfer as the sizes of devices decrease to nanoscales. Here, we report the basic data of the specific heat capacity of water confined in narrow graphene nanochannels below 5 nm in height using molecular dynamics simulations. The results show that the specific heat capacity of confined water is size-dependent, and the commensurability effect of the specific heat capacity presents as the confinement decreases to 1.7 nm. The deviation of specific heat capacity of confined water with that of bulk water is attributed to the variation of configuration features, including density distribution and hydrogen bonds, and vibration features, including velocity auto-correlation function and vibrational density of states. This work unveils the confinement effects and their physical mechanisms of the specific heat capacity of nanoconfined water, and the data provided here have wide prospects for energy applications at nanoscales.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2296-598X
Relation: https://www.frontiersin.org/articles/10.3389/fenrg.2021.736713/full; https://doaj.org/toc/2296-598X
DOI: 10.3389/fenrg.2021.736713
URL الوصول: https://doaj.org/article/05eec7dbc1fa4f399cbc85da628e6e9b
رقم الأكسشن: edsdoj.05eec7dbc1fa4f399cbc85da628e6e9b
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:2296598X
DOI:10.3389/fenrg.2021.736713