Distribution and thermophysical properties of n-heptacosane molecules confined in carbon nanotube

References

• Han P, Zheng XH, Hou WS, et al. Study on heat-storage and release characteristics of multi-cavity-structured phase-change microcapsules. Phase Transitions. 2015;88(7):704–715.
   Web of Science ®Google Scholar
• Sinha-Ray S, Sinha-Ray S, Sriram H, et al. Flow of suspensions of carbon nanotubes carrying phase change materials through microchannels and heat transfer enhancement. Lab Chip. 2014;14(3):494–508.
   PubMed Web of Science ®Google Scholar
• Sinha-Ray S, Pelot DD, Zhou ZP, et al. Encapsulation of self-healing materials by coelectrospinning, emulsion electrospinning, solution blowing and intercalation. J Mater Chem. 2012;22(18):9138–9146.
   Web of Science ®Google Scholar
• Jeong N, Park YC, Yoo JH. Preparation of highly pure and crystalline carbon nanotubes and their infiltration by paraffin wax. Carbon. 2013;63:240–252.
   Web of Science ®Google Scholar
• Sinha-Ray S, Sahu RP, Yarin AL. Nano-encapsulated smart tunable phase change materials. Soft Matter. 2011;7(19):8823–8827.
   Web of Science ®Google Scholar
• Chaban VV, Prezhdo VV, Prezhdo OV. Confinement by carbon nanotubes drastically alters the boiling and critical behavior of water droplets. ACS Nano. 2012;6(3):2766–2773.
   PubMed Web of Science ®Google Scholar
• Chaban VV, Prezhdo OV. Water boiling inside carbon nanotubes: toward efficient drug release. ACS Nano. 2011;5(7):5647–5655.
   PubMed Web of Science ®Google Scholar
• Pascal TA, Goddard WA, Jung Y. Entropy and the driving force for the filling of carbon nanotubes with water. Proc Natl Acad Sci USA. 2011;108(29):11794–11798.
   PubMed Web of Science ®Google Scholar
• Rao ZH, Wang SF, Peng FF. Self diffusion and heat capacity of n-alkanes based phase change materials: a molecular dynamics study. Int J Heat Mass Transfer. 2013;64:581–589.
   Web of Science ®Google Scholar
• Salaway RN, Zhigilei LV. Molecular dynamics simulations of thermal conductivity of carbon nanotubes: resolving the effects of computational parameters. Int J Heat Mass Transfer. 2014;70:954–964.
   Web of Science ®Google Scholar
• Zhang Y, Maginn EJ. A comparison of methods for melting point calculation using molecular dynamics simulations. J Chem Phys. 2012;136(14):144116.
   PubMed Web of Science ®Google Scholar
• Chaban V. Should carbon nanotubes be degasified before filling? Chem Phys Lett. 2010;500(1–3):35–40.
   Web of Science ®Google Scholar
• Chaban V. Filling carbon nanotubes with liquid acetonitrile. Chem Phys Lett. 2010;496(1–3):50–55.
   Web of Science ®Google Scholar
• Rao ZH, Wang SF, Zhang YL. Molecular dynamics simulations of phase transition of n-nonadecane under high pressure. Phase Transitions. 2012;85(5):400–408.
   Web of Science ®Google Scholar
• Sosso GC, Miceli G, Caravati S, et al. Fast crystallization of the phase change compound GeTe by large-scale molecular dynamics simulations. J Phys Chem Lett. 2013;4(24):4241–4246.
   PubMed Web of Science ®Google Scholar
• Gai L, Vogel T, Maerzke KA, et al. Examining the phase transition behavior of amphiphilic lipids in solution using statistical temperature molecular dynamics and replica-exchange Wang–Landau methods. J Chem Phys. 2013;139(5):054505.
   Web of Science ®Google Scholar
• Khakbaz P, Klauda J. Investigating lipid phase changes from liquid crystalline to ripple to gel phases with all-atom molecular dynamics simulations. Biophys J. 2015;108(2):410a.
   Web of Science ®Google Scholar
• Rao ZH, You XY, Huo YT, et al. Dissipative particle dynamics study of nano-encapsulated thermal energy storage phase change material. RSC Adv. 2014;4:39552–39557.
   Web of Science ®Google Scholar
• Sun H. COMPASS: an ab initio force-field optimized for condensed-phase applications overview with details on alkane and benzene compounds[J]. J Phys Chem B. 1998;102(38):7338–7364.
   Web of Science ®Google Scholar
• Zhang XF, Lu GW, Wen XM, et al. Molecular dynamics investigation into the adsorption of oil-water-surfactant mixture on quartz. App Surf Sci. 2009;255(13–14):6493–6498.
   Web of Science ®Google Scholar
• Zhang YY, Pei QX, He XQ, et al. A molecular dynamics simulation study on thermal conductivity of functionalized bilayer graphene sheet. Chem Phys Lett. 2015;622:104–108.
   Web of Science ®Google Scholar
• Park J, Bifano MF, Prakash V. Sensitivity of thermal conductivity of carbon nanotubes to defect concentrations and heat-treatment. J Appl Phys. 2013;113(3):034312.
   Web of Science ®Google Scholar
• Liu X, Pan X, Zhang S, et al. Diffusion of water inside carbon nanotubes studied by pulsed field gradient NMR spectroscopy. Langmuir. 2014;30(27):8036–8045.
   PubMed Web of Science ®Google Scholar
• Jiang Y, Zhang K, Li H, et al. Spontaneous encapsulation behavior of ionic liquid into carbon nanotube. Nanoscale. 2012;4:7063–7069.
   PubMed Web of Science ®Google Scholar
• Hwang KS, Jang SP, Choi SUS. Flow and convective heat transfer characteristics of water-based Al2O3 nanofluids in fully developed laminar flow regime. Int J Heat Mass Transfer. 2009;52:193–199.
   Web of Science ®Google Scholar
• Zheng YG, Ye HF, Zhang ZQ, et al. Water diffusion inside carbon nanotubes: mutual effects of surface and confinement. Phys Chem Chem Phys. 2012;14:964–971.
   PubMed Web of Science ®Google Scholar
• Rao ZH, Zhang GQ. Thermal properties of paraffin wax-based composites containing graphite. Energ Source Part A. 2011;33:587–593.
   Google Scholar
• Sirota EB, King JHE, Singer DM, et al. Rotator phases of the normal alkanes: an x-ray scattering study. J Chem Phys. 1993;98(7):5809–5824.
   Web of Science ®Google Scholar
• Han Z, Fina A. Thermal conductivity of carbon nanotubes and their polymer nanocomposites: a review. Prog Polym Sci. 2011;36:914–944.
   Web of Science ®Google Scholar
• Babaei H, Keblinski P, Khodadadi JM. Thermal conductivity enhancement of paraffins by increasing the alignment of molecules through adding CNT/graphene. Int J Heat Mass Tran. 2013;58(1–2):209–216.
   Web of Science ®Google Scholar
• Warzoha RJ, Weigand RM, Fleischer AS. Temperature-dependent thermal properties of a paraffin phase change material embedded with herringbone style graphite nanofibers. Appl Energ. 2015;137:716–725.
   Web of Science ®Google Scholar
• Fethi A, Mohamed L, Mustapha K, et al. Investigation of a graphite/paraffin phase change composite. Int J Therm Sci. 2015;88:128–135.
   Web of Science ®Google Scholar
• Rao Z, Wang S, Wu M, et al. Molecular dynamics simulations of melting behavior of alkane as phase change materials slurry. Energ Convers Manage. 2012;64:152–156.
   Web of Science ®Google Scholar
• Fischer JE. Carbon nanotubes: structure and properties. In: Gogotsi Y, editor. Carbon nanomaterials. New York: Taylor and Francis Group; 2006.
   Google Scholar
• Bagri A, Kim SP, Ruoff RS, et al. Thermal transport across twin grain boundaries in polycrystalline graphene from nonequilibrium molecular dynamics simulations. Nano Lett. 2011;11:3917–3921.
   PubMed Web of Science ®Google Scholar
• Thomas JA, Iutzi RM, McGaughey AJH. Thermal conductivity and phonon transport in empty and water-filled carbon nanotubes. Phys Rev B. 2010;81:045413.
   Web of Science ®Google Scholar