Contribution of the Hydroxyl Group on Interfacial Heat Conduction of Monohydric Alcohols: A Molecular Dynamics Study

2020 ◽  
Vol 142 (3) ◽  
Author(s):  
Biao Feng ◽  
Li-Wu Fan ◽  
Yi Zeng

Abstract Monohydric alcohols have been used as promising phase change materials (PCMs) for low-temperature latent heat storage. However, the heat storage/retrieval rates are limited due to the low thermal conductivity of such alcohols. In this work, nonequilibrium molecular dynamics (NEMD) simulations were performed to study the microscopic heat conduction in example monohydric alcohols, i.e., 1-dodecanol (C12H26O), 1-tetradecanol (C14H30O), and 1-hexadecanol (C16H34O). A simplified ideal crystal model was proposed to exploit the potential for improving the thermal conductivity of monohydric alcohols. The effect of ideal crystalline structures, especially the contribution of the hydroxyl group, on the microscopic heat conduction process was analyzed. The thermal conductivity of the ideal crystals of the various monohydric alcohols was predicted to be more than twice as compared to that of their respective solids. The major thermal resistance in the ideal crystals was found around the molecular interfaces, as a result of the excellent heat conduction performance along the linear molecular chains. The calculated vibrational density of states (VDOS) and interfacial heat transfer were then investigated. When the interfaces are surrounded by hydroxyl groups as walls, strong hydrogen bond (HB) interactions were observed. The interfacial heat transfer coefficient of the ideal crystalline structures of 1-tetradecanol was found to reach up to ∼735.6 MW/m2 W. It was elucidated that the high interfacial heat transfer rate is clearly related to the stronger intermolecular interactions.

2019 ◽  
Vol 11 (1) ◽  
pp. 153-156
Author(s):  
István Padrah ◽  
Judit Pásztor ◽  
Rudolf Farmos

Abstract Thermal conduction is a heat transfer mechanism. It is present in our everyday lives. Studying thermal conductivity helps us better understand the phenomenon of heat conduction. The goal of this paper is to measure the thermal conductivity of various materials and compare results with the values provided by the manufacturers. To achieve this we assembled a measuring instrument and performed measurements on heat insulating materials.


2013 ◽  
Vol 860-863 ◽  
pp. 590-593
Author(s):  
Cha Xiu Guo ◽  
Ding Bao Wang ◽  
Gao Lin Hu

High conductivity porosity materials are proposed to enhance the phase change materials (PCM) in order to solve the problem of low conductivity of PCM in the latent heat storage device (LHSD), and two-dimensional numerical simulation is conducted to predict the performance of the PCM by CFD software. During the phase change process, the PCM is heated from the solid state to the liquid phase in the process of melting and from the liquid phase to the solid state in the solidification process. The results show that porosity materials can improve heat transfer rate effectively, but the effect of heat transfer of Al foam is superior to that of graphite foam although the heat storage capacity is almost the same for both. The heat transfer is enhanced and the solidification time of PCM is decreased since the effective thermal conductivity of composite PCM is increased.


2019 ◽  
Vol 141 (5) ◽  
Author(s):  
S. Arunachalam

Energy storage helps in waste management, environmental protection, saving of fossil fuels, cost effectiveness, and sustainable growth. Phase change material (PCM) is a substance which undergoes simultaneous melting and solidification at certain temperature and pressure and can thereby absorb and release thermal energy. Phase change materials are also called thermal batteries which have the ability to store large amount of heat at fixed temperature. Effective integration of the latent heat thermal energy storage system with solar thermal collectors depends on heat storage materials and heat exchangers. The practical limitation of the latent heat thermal energy system for successful implementation in various applications is mainly from its low thermal conductivity. Low thermal conductivity leads to low heat transfer coefficient, and thereby, the phase change process is prolonged which signifies the requirement of heat transfer enhancement techniques. Typically, for salt hydrates and organic PCMs, the thermal conductivity range varies between 0.4–0.7 W/m K and 0.15–0.3 W/m K which increases the thermal resistance within phase change materials during operation, seriously affecting efficiency and thermal response. This paper reviews the different geometry of commercial heat exchangers that can be used to address the problem of low thermal conductivity, like use of fins, additives with high thermal conductivity materials like metal strips, microencapsulated PCM, composite PCM, porous metals, porous metal foam matrix, carbon nanofibers and nanotubes, etc. Finally, different solar thermal applications and potential PCMs for low-temperature thermal energy storage were also discussed.


2015 ◽  
Vol 1096 ◽  
pp. 520-523
Author(s):  
Yun Peng Song ◽  
Yan He ◽  
Yuan Zheng Tang

The thermal conductivity at 300K of (6, 6) carbon nanotubes and chemi-adsorbed carbon nanotubes with methyl groups at random positions through covalent bonding (chemisorption) has been calculated as a function of adsorption density using molecular dynamics. The results exhibit a rapid drop in thermal conductivity with chemisorptions, even chemisorption as little as 1.0% of the nanotube carbon atoms reduces the thermal conductivity significantly. Investigate its reason, defects caused by chemisorption blocking the transmission of phonons which plays a leading role in the heat conduction of nanotubes, affecting the temperature distribution and energy transmission, leading to the thermal conductivity decline.


2012 ◽  
Vol 452-453 ◽  
pp. 1384-1388
Author(s):  
Zeng Yan ◽  
Xiao Yang Huang ◽  
Wei Dong Zhou ◽  
Sheng Kai Yu

Heat transfer and lubricant depletion in a HAMR system with multilayer disk substrate are numerically simulated in this study. Cases under two types of multilayer disk substrates with different materials on the top layer as well as different laser powers are examined. The results show the significant effects of the material property and the laser power. Compared with pure glass disk substrate, larger thermal conductivity of top-layer material in the multilayer disk substrate causes faster heat conduction and thus substantial reductions in the temperature increase and lubricant depletion on the top surface. Hence it is necessary and important to incorporate the real multilayer structure in modeling heat transfer and lubricant depletion in practical HAMR systems.


Open Physics ◽  
2013 ◽  
Vol 11 (8) ◽  
Author(s):  
Partner Ndlovu ◽  
Rasselo Moitsheki

AbstractSome new conservation laws for the transient heat conduction problem for heat transfer in a straight fin are constructed. The thermal conductivity is given by a power law in one case and by a linear function of temperature in the other. Conservation laws are derived using the direct method when thermal conductivity is given by the power law and the multiplier method when thermal conductivity is given as a linear function of temperature. The heat transfer coefficient is assumed to be given by the power law function of temperature. Furthermore, we determine the Lie point symmetries associated with the conserved vectors for the model with power law thermal conductivity.


Author(s):  
Peter Vadasz

Spectacular heat transfer enhancement has been measured in nanofluid suspensions. Attempts in explaining these experimental results did not yield yet a definite answer. Modeling the heat conduction process in nanofluid suspensions is being shown to be a special case of heat conduction in porous media subject to Lack of Local thermal equilibrium (LaLotheq). The topic of heat conduction in porous media subject to Lack of Local thermal equilibrium (LaLotheq) is reviewed, introducing one of the most accurate methods of measuring the thermal conductivity, the transient hot wire method, and discusses its possible application to dual-phase systems. Maxwell’s concept of effective thermal conductivity is then introduced and theoretical results applicable for nanofluid suspensions are compared with published experimental data.


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