Multi-scale simulation method for multiphase electrohydrodynamics of core-shell structure

Abstract

The invention discloses a multi-scale simulation method for multiphase electrohydrodynamics of core-shell structure. According to the method, three-phase fluids are considered and include core and shell printing fluids and surrounding wrapping air; tensions at different fluid interfaces are calculated by adopting a micro-scale all-atomic molecular dynamics method; a viscosity pressure tensor is calculated by adopting a meso-scale lattice Boltzmann method; information obtained by micro-scale and meso-scale calculation is substituted into a macro-scale; a multi-scale calculation model is built;and an injection characteristic is obtained. The multi-scale calculation model can improve the calculation efficiency, save the calculation resources and take the calculation precision into account, and has important theoretical significance for perfecting a multiphase electrohydrodynamics theory of the core-shell structure.

Description

technical field [0001] The invention relates to the technical field of computer simulation, in particular to a multi-scale simulation method for simulating multi-phase electrohydrodynamics of a core-shell structure. Background technique [0002] At present, various inorganic and organic polymers and composite nanofibers have been prepared based on the principle of electrohydrodynamics. These nanomaterials have applications in the fields of reinforcing materials, textiles, photoelectric sensors, pharmaceutical release bodies, and tissue engineering. Coaxial printing is that the shell material passes through a coaxial core inner and outer capillary, and a certain gap is maintained between the two tube layers. The outer layer liquid and the core liquid flow between the two tube layers respectively, and finally meet at the end of the capillary to form a core-shell Structure; in the traditional preparation technology, the simple mixing of two materials can easily lead to the dist...

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Problems solved by technology

[0003] Most of the existing simulation methods are single-scale (such as a single micro-scale or macro-scale) simulation, and there are very few multi-scale simulation methods Lysgaard M O, Herdes C, et al. A multiscale method for simulating fluid interfaces covered with large molecules such as asphaltenes [J]. Journal of Computational Physics, 2016, 327:576-611.), related reports involving multi-scale simulation experiments, The calculation of surface tension at the interface between internal and external fluids is also not considered in depth (Yan W, Tong Y W, Wang C. Coaxial Electrohydrodynamic Atomization towards Large Scale Production of Core‐shell Structured Microparticles [J]. Aiche Journal, 2017, 63(12): 5303-5319 ; Xu Q, Hao Q, Yin Z, et al.Coaxial electrohydrodynamic atomization process for production of polymeric composite microspheres[J].Chemical Engineering Science,2013,104(104):330-346; Bhuptani D K,Sathian S P.Effect of axialelectric field on the Rayleigh instability at small length scales[J].Phys.review,2017,95(5-1):053115; Chiu Y,Tseng H,Lo Y,et al.Plateau–Rayleigh Instability Morphology Evolution(PRIME):From Electrospun Core–Shell PolymerFibers to Polymer Microbowls[J].Macromolecular Rapid Communications,2017, 38(5):1600689; Yan W, Davoodi P, Tong Y W, et al. Computational study of core‐shelldroplet formation in c oaxial electrohydrodynamicatomization process[J].AicheJournal,2016, 62(12):4259-4276.), for the electrohydrodynamics of the core-shell structure, in fact, it is necessary to comprehensively consider the multiphase flow field (three-phase coexistence, two liquid phases ( core and shell) and a surrounding atmospheric phase), especially the calculation of the tension and viscosity pressure tensor at the interface of different fluids, the existing core-shell printing electrohydrodynamics considers multiphase fluids and refines surface tension and viscosity The multi-scale model of pressure tensor calculation has not been reported

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