Dataset for NEMD with automatic shear rate sampling to model viscosity and correction of systematic errors in modeling density: Application to linear and light branched alkanes
收藏DataCite Commons2024-12-17 更新2024-08-25 收录
下载链接:
https://www.repository.cam.ac.uk/handle/1810/312536
下载链接
链接失效反馈官方服务:
资源简介:
Density and viscosity results that can otherwise be found in the more concise form in the manuscript. The density sheet comprises experimental values, that have been collected from the TRC Thermodynamic tables, API 44, as well as the molecular dynamics predictions obtained through LAMMPS, and their uncertainties. The viscosity column sheet comprises all the results of viscosity molecular dynamics simulations before fitting to the Carreau model. For each viscosity result, state point (density), shear rate, dynamic and kinematic viscosity and uncertainty in them are listed.
提供机构:
Apollo - University of Cambridge Repository
创建时间:
2020-08-26



