Molecular dynamics simulation of ionic liquid electrospray: Revealing the effects of interaction potential models

作者: Jinrui Zhang , Guobiao Cai , Xuhui Liu , Bijiao He , Weizong Wang

DOI: 10.1016/J.ACTAASTRO.2020.11.018

关键词:

摘要: Abstract Electrospray thrusters with small size, high precision specific impulse, low power consumption are the most recommended propulsive equipments for micro-nano satellites. Molecular dynamics simulation is able to be used predict fundamental physics of electrospray and evaluate performance. However, accuracy molecular results critically depends on interaction potential models used. Therefore, present paper discusses effect different simulations ionic liquid 1-ethyl-3-methyl-imidazolium tetrafluoroborate. The reduced charge all-atoms model, full effective-force coarse-grained model Merlet reported in literature comparison, comparison also made experimental data elucidate which might realistic. process Taylor cone formation, currents, energy characteristics velocity distribution analyzed under varying operating conditions. Our calculations indicate that accurate electrospray. In contrast, fail reveal characteristics. not characterize underestimate overestimate performance respectively. It found particles within almost unchanged

参考文章(52)
Paulo Lozano, Manuel Martínez-Sánchez, Ionic liquid ion sources: characterization of externally wetted emitters. Journal of Colloid and Interface Science. ,vol. 282, pp. 415- 421 ,(2005) , 10.1016/J.JCIS.2004.08.132
Michel Cloupeau, Bernard Prunet-Foch, ELECTROHYDRODYNAMIC SPRAYING FUNCTIONING MODES - A CRITICAL-REVIEW Journal of Aerosol Science. ,vol. 25, pp. 1021- 1036 ,(1994) , 10.1016/0021-8502(94)90199-6
Ignacio G Loscertales, A Barrero, I Guerrero, R Cortijo, M Marquez, AM Ganan-Calvo, None, Micro/Nano Encapsulation via Electrified Coaxial Liquid Jets Science. ,vol. 295, pp. 1695- 1698 ,(2002) , 10.1126/SCIENCE.1067595
Mathieu Salanne, Mathieu Salanne, Simulations of room temperature ionic liquids: from polarizable to coarse-grained force fields. Physical Chemistry Chemical Physics. ,vol. 17, pp. 14270- 14279 ,(2015) , 10.1039/C4CP05550K
Steve Plimpton, Fast parallel algorithms for short-range molecular dynamics Journal of Computational Physics. ,vol. 117, pp. 1- 19 ,(1995) , 10.1006/JCPH.1995.1039
John W. Daily, Michael M. Micci, Ionic velocities in an ionic liquid under high electric fields using all-atom and coarse-grained force field molecular dynamics. Journal of Chemical Physics. ,vol. 131, pp. 094501- 094501 ,(2009) , 10.1063/1.3197850
Mohammad Hadi Ghatee, Morteza Zare, Amin Reza Zolghadr, Fatemeh Moosavi, Temperature dependence of viscosity and relation with the surface tension of ionic liquids Fluid Phase Equilibria. ,vol. 291, pp. 188- 194 ,(2010) , 10.1016/J.FLUID.2010.01.010
Nickolay N. Smirnov, V. F. Nikitin, V. V. Tyurenkova, NONEQUILIBRIUM DIFFUSION COMBUSTION OF LIQUID FUEL DROPLETS AND SPRAYS MODELING Heat Transfer Research. ,vol. 43, pp. 1- 17 ,(2012) , 10.1615/HEATTRANSRES.V43.I1.10
Yanting Wang, Sergei Izvekov, Tianying Yan, Gregory A. Voth, Multiscale Coarse-Graining of Ionic Liquids† Journal of Physical Chemistry B. ,vol. 110, pp. 3564- 3575 ,(2006) , 10.1021/JP0548220
V.B. Betelin, N.N. Smirnov, V.F. Nikitin, V.R. Dushin, A.G. Kushnirenko, V.A. Nerchenko, Evaporation and ignition of droplets in combustion chambers modeling and simulation Acta Astronautica. ,vol. 70, pp. 23- 35 ,(2012) , 10.1016/J.ACTAASTRO.2011.06.021