Molecular dynamics simulations of melting behavior of alkane as phase change materials slurry

Zhonghao Rao, Shuangfeng Wang, Maochun Wu, Yanlai Zhang, Fuhuo Li

Research output: Journal article publicationJournal articleAcademic researchpeer-review

28 Citations (Scopus)


The alkane based phase change materials slurry, with high latent heat storage capacity, is effective to enhance the heat transfer rate of traditional fluid. In this paper, the melting behavior of composite phase change materials slurry which consists of n-nonadecane and water was investigated by using molecular dynamics simulation. Four different systems including pure water and water/n-nonadecane composite were constructed with amorphous structure and periodic boundary conditions. The results showed that the simulated density and melting temperature were very close to the published experimental values. Mixing the n-nonadecane into water decreased the mobility but increased the energy storage capacity of composite systems. To describe the melting behavior of alkane based phase change materials slurry on molecular or atomic scale, molecular dynamics simulation is an effective method.

Original languageEnglish
Pages (from-to)152-156
Number of pages5
JournalEnergy Conversion and Management
Publication statusPublished - Dec 2012
Externally publishedYes


  • Melting behavior
  • Molecular dynamics simulation
  • n-Nonadecane
  • Phase change materials slurry

ASJC Scopus subject areas

  • Renewable Energy, Sustainability and the Environment
  • Nuclear Energy and Engineering
  • Fuel Technology
  • Energy Engineering and Power Technology


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