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Molecular dynamics study on the evaporation of ethane, propane and their mixed fluids at the copper substrate

ABSTRACT
The organic Rankine cycle can harvest the cold energy from liquefied natural gas (LNG) by using non-azeotropic working fluids. The phase transition is one of the important processes in the thermodynamics cycles. In this paper, the interfacial evaporation characteristics of ethane, propane and their mixtures were investigated by molecular dynamics simulations. Several properties, including surface tension, diffusion coefficient, interaction energy were analyzed. The results show that the addition of ethane in the mixed working fluid increases the evaporation rate of propane, and the gas-liquid interfacial thermal resistance is relatively large in the total thermal resistance. The pure ethane system has the smallest thermal resistance, surface tension, intermolecular interaction energy and the largest diffusion coefficient, which make the evaporation energy barrier smaller.
KEYWORDS
PAPER SUBMITTED: 2024-08-19
PAPER REVISED: 2024-10-21
PAPER ACCEPTED: 2024-10-24
PUBLISHED ONLINE: 2024-12-07
DOI REFERENCE: https://doi.org/10.2298/TSCI240819266W
REFERENCES
  1. Burel, F., et al., Improving sustainability of maritime transport through utilization of Liquefied Natural Gas (LNG) for propulsion, Energy, 57 (2013), pp. 412-420, DOI No. doi.org/10.1016/j.energy.2013.05.002
  2. Kumar, S., et al., LNG: An eco-friendly cryogenic fuel for sustainable development, Applied Energy, 88 (2011), 12, pp. 4264-4273, DOI No. doi.org/10.1016/j.apenergy.2011.06.035
  3. Wang, S., et al., Selection principle of working fluid for organic Rankine cycle based on environmental benefits and economic performance, Applied Thermal Engineering, 178 (2020), p. 115598, DOI No. doi.org/10.1016/j.applthermaleng.2020.115598
  4. Cao, W., et al., Theoretical approach of freeze seawater desalination on flake ice maker utilizing LNG cold energy, Desalination, 355 (2015), pp. 22-32, DOI No. doi.org/10.1016/j.desal.2014.09.034
  5. Ghaebi, H., et al., Energy, exergy and thermoeconomic analysis of a novel combined cooling and power system using low-temperature heat source and LNG cold energy recovery, Energy Conversion and Management, 150 (2017), pp. 678-692, DOI No. doi.org/10.1016/j.enconman.2017.08.052
  6. Mehrpooya, M., et al., Optimum design and exergy analysis of a novel cryogenic air separation process with LNG (liquefied natural gas) cold energy utilization, Energy, 90 (2015), pp. 2047-2069, DOI No. doi.org/10.1016/j.energy.2015.07.101
  7. Al-musleh, E. I., et al., Efficient electrochemical refrigeration power plant using natural gas with ∼100% CO2 capture, Journal of Power Sources, 274 (2015), pp. 130-141, DOI No. doi.org/10.1016/j.jpowsour.2014.09.184
  8. Yao, S. G., et al., Design study on the integrated utilization system of medium-temperature waste heat and LNG vaporization cold energy for 200,000 DWT LNG-powered vessels, Thermal Science, 27 (2023), 2A, pp. 1289-1299, DOI No. 10.2298/TSCI220326146Y
  9. Jovijari, F., et al., Advanced exergy analysis of the natural gas liquid recovery process, Thermal Science, 26 (2022), 3, pp. 2287-2300, DOI No. 10.2298/TSCI210522311J
  10. He, T., et al., LNG cold energy utilization: Prospects and challenges, Energy, 170 (2019), pp. 557-568, DOI No. doi.org/10.1016/j.energy.2018.12.170
  11. Sun, Z., et al., Thermodynamic optimization and comparative study of different ORC configurations utilizing the exergies of LNG and low grade heat of different temperatures, Energy, 147 (2018), pp. 688-700, DOI No. doi.org/10.1016/j.energy.2018.01.085
  12. Arcuri, N., et al., LNG as cold heat source in OTEC systems, Ocean Engineering, 104 (2015), pp. 349-358, DOI No. doi.org/10.1016/j.oceaneng.2015.05.030
  13. Lee, S., Multi-parameter optimization of cold energy recovery in cascade Rankine cycle for LNG regasification using genetic algorithm, Energy, 118 (2017), pp. 776-782, DOI No. doi.org/10.1016/j.energy.2016.10.118
  14. Liu, Y.,K. Guo, A novel cryogenic power cycle for LNG cold energy recovery, Energy, 36 (2011), 5, pp. 2828-2833, DOI No. doi.org/10.1016/j.energy.2011.02.024
  15. Mosaffa, A. H., Farshi, L. G., Thermodynamic feasibility evaluation of an innovative salinity gradient solar ponds-based ORC using a zeotropic mixture as working fluid and LNG cold energy, Applied Thermal Engineering, 186 (2021), 116488, DOI No. doi.org/10.1016/j.applthermaleng.2020.116488
  16. Hillenbrand, T., Brüggemann, D., Evaporation of free falling droplets of binary alkane-ethanol blends, Fuel, 274 (2020), 117869, DOI No. doi.org/10.1016/j.fuel.2020.117869
  17. Zuo, Z., et al., Experimental investigation on energy and mass transport at steady-state evaporating interface in liquid methane storage tanks, Applied Thermal Engineering, 226 (2023), 120258, DOI No. doi.org/10.1016/j.applthermaleng.2023.120258
  18. Zhan, J., et al., Experimental study of ethane pulsating heat pipe with varying evaporator lengths based on pulse tube refrigerator, International Journal of Refrigeration, 145 (2023), pp. 40-49, DOI No. doi.org/10.1016/j.ijrefrig.2022.09.010
  19. Deng, X., et al., Evaporation of R1234yf, R1234ze(E) and R1234ze(Z) on Cu surface: A molecular dynamics study, Journal of Molecular Liquids, 344 (2021), 117844, DOI No. doi.org/10.1016/j.molliq.2021.117844
  20. Li, Y., et al., Interfacial anomaly in low global warming potential refrigerant blends as predicted by molecular dynamics simulations, Physical Chemistry Chemical Physics, 21 (2019), 39, pp. 22092-22102, DOI No. 10.1039/C9CP03231B
  21. Liang, Z., et al., Molecular simulation of steady-state evaporation and condensation: Validity of the Schrage relationships, International Journal of Heat and Mass Transfer, 114 (2017), pp. 105-114, DOI No. doi.org/10.1016/j.ijheatmasstransfer.2017.06.025
  22. Pu, J. H., et al., Stable and Efficient Nanofilm Pure Evaporation on Nanopillar Surfaces, Langmuir, 37 (2021), 12, pp. 3731-3739, DOI No. 10.1021/acs.langmuir.1c00236
  23. Heinz, H., et al., Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials, The Journal of Physical Chemistry C, 112 (2008), 44, pp. 17281-17290, DOI No. 10.1021/jp801931d
  24. Jorgensen, W. L., et al., Optimized intermolecular potential functions for liquid hydrocarbons, Journal of the American Chemical Society, 106 (1984), pp. 6638-6646
  25. Kaminski, G., et al., Free Energies of Hydration and Pure Liquid Properties of Hydrocarbons from the OPLS All-Atom Model, The Journal of Physical Chemistry, 98 (1994), 49, pp. 13077-13082, DOI No. 10.1021/j100100a043
  26. Delhommelle, J.,P. MilliÉ, Inadequacy of the Lorentz-Berthelot combining rules for accurate predictions of equilibrium properties by molecular simulation, Molecular Physics, 99 (2001), 8, pp. 619-625, DOI No. 10.1080/00268970010020041
  27. Hockney, R.W., et al., Quiet high-resolution computer models of a plasma, Journal of Computational Physics, 14 (1974), 2, pp. 148-158, DOI No. doi.org/10.1016/0021-9991(74)90010-2
  28. Plimpton, S., Fast Parallel Algorithms for Short-Range Molecular Dynamics, Journal of Computational Physics, 117 (1995), 1, pp. 1-19, DOI No. doi.org/10.1006/jcph.1995.1039
  29. Stukowski, A., Visualization and analysis of atomistic simulation data with OVITO-the Open Visualization Tool, Modelling and Simulation in Materials Science and Engineering, 18 (2010), 1, p. 015012, DOI No. 10.1088/0965-0393/18/1/015012
  30. Montazeri, K., et al., Solid-like Behaviors Govern Evaporative Transport in Adsorbed Water Nanofilms, ACS Applied Materials & Interfaces, 12 (2020), 47, pp. 53416-53424, DOI No. 10.1021/acsami.0c13647
  31. Gatapova, E. Y., et al., The temperature and pressure jumps at the vapor-liquid interface: Application to a two-phase cooling system, International Journal of Heat and Mass Transfer, 83 (2015), pp. 235-243
  32. Yong, X., et al., Nanoparticle-mediated evaporation at liquid-vapor interfaces, Extreme Mechanics Letters, 7 (2016), pp. 90-103, DOI No. doi.org/10.1016/j.eml.2016.04.001
  33. Topping, J., Investigations on the Theory of the Brownian Movement, Physics Bulletin, 7 (1956), 10, p. 281, DOI No. 10.1088/0031-9112/7/10/012