Dissipative particle dynamics simulations of centrifugal melt electrospinning
Source abstract
Abstract
The fibers obtained by centrifugal melt electrospinning exhibit high production efficiency, controllable morphology, and excellent mechanical properties. Therefore, centrifugal electrospinning technology is in alignment with the industrial development trend of superfine fiber preparation. However, during the rapid development of this new spin method, some fundamental understanding of the relationships between the fiber performance and centrifugal force, electric field force, and gravity is unclear. In this study, the effect of the spin factors on the fiber properties (diameter, yield, and molecular chain formation) is investigated by dissipative particle dynamics simulation. The results show that in an electrostatic field, if the rotating speed, temperature, and electric field intensity increases, the fiber diameter decreases, and fiber productivity and chain length increase. In a pulsed electric field, the fiber diameter is very small when the duty ratio is 70% and the chain length is long when the duty ratio is 100%. However, as the frequency increases, the fiber diameter decreases sharply, whereas the chain length increases gradually. When the fiber drops rapidly, the chain length generally becomes longer with increasing steps. The above knowledge of the fiber performance and spin factors will contribute significantly to obtain high-quality fibers using centrifugal melt electrospinning.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Electrospun Nanofibers in Biomedical Applications · Microfluidic and Bio-sensing Technologies · Electrohydrodynamics and Fluid Dynamics
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (42)
Show source-provided references
1. Wu S, Peng H, Li X, Streubel PN, Liu Y, Duan B (2017) Effect of scaffold morphology and cell co-culture on tenogenic differentiation of HADMSC on centrifugal melt electrospun poly (L-lactic acid) fibrous meshes. Biofabrication 9:044106410.1088/1758-5090/aa8fb8 ↗
2. Wang L, Wang B, Ahmad Z, Li J, Chang M (2019) Dual rotation centrifugal electrospinning: a novel approach to engineer multi-directional and layered fiber composite matrices. Drug Deliv Transl Res 9:204–21410.1007/s13346-018-00594-y ↗
3. Wang L, Ahmad Z, Huang J, Li J, Chang M (2017) Multi-compartment centrifugal electrospinning based composite fibers. J Chem Eng 330:541–54910.1016/j.cej.2017.07.179 ↗
4. Erickson AE, Edmondson D, Chang FC, Wood D, Gong A, Levengood SL, Zhang MQ (2015) High-throughput and high-yield fabrication of uniaxially-aligned chitosan-based nanofibers by centrifugal electrospinning. Carbohydr Polym 134:467–47410.1016/j.carbpol.2015.07.097 ↗
5. Larrondo L, St. John Manley R (1981) Electrostatic fiber spinning from polymer melts. I. Experimental observations on fiber formation and properties. J Polym Sci Pol Phys 6:909–92010.1002/pol.1981.180190601 ↗
6. Visser J, Melchels FPW, Jeon JE et al (2015) Reinforcement of hydrogels using three-dimensionally printed microfibres. Nat Commun 6:693310.1038/ncomms7933 ↗
7. Castilho M, Hochleitner G, Wilson W, Van Rietbergen B, Dalton PD, Groll Jürgen, Groll JM, Keita I (2018) Mechanical behavior of a soft hydrogel reinforced with three-dimensional printed microfibre scaffolds. Sci Rep 8:124510.1038/s41598-018-19502-y ↗
8. Martine LC, Holzapfel BM, McGovern JA et al (2017) Engineering a humanized bone organ model in mice to study bone metastases. Nat Protoc 12:639–66310.1038/nprot.2017.002 ↗
9. Li T, Jiang Z, Yan D, Nies E (2010) A polyethylene chain investigated with replica exchange molecular dynamics simulation: equilibrium lamellar thickness and melting point, ordering and free energy. Polymer 51:5612–562210.1016/j.polymer.2010.09.019 ↗
10. Chudoba R, Heyda J, Dzubiella J (2017) Temperature-dependent implicit-solvent model of polyethylene glycol in aqueous solution. J Chem Theory Comput 13:6317–632710.1021/acs.jctc.7b00560 ↗
11. Español P, Warren PB (2017) Perspective: dissipative particle dynamics. J Chem Phys 146:15090110.1063/1.4979514 ↗
12. Groot RD, Warren PB (1997) Dissipative particle dynamics: bridging the gap between atomistic and mesoscopic simulation. J Chem Phys 11:4423–443510.1063/1.474784 ↗
13. Zhou B, Luo W, Yang J, Duan XB, Wen YW, Zhou HM, Chen R, Shan B (2017) Simulation of dispersion and alignment of carbon nanotubes in polymer flow using dissipative particle dynamics. Comput Mater Sci 126:35–4210.1016/j.commatsci.2016.09.012 ↗
14. Hu J, Zhang C, Li X, Han J, Ji F (2017) Architectural evolution of phase domains in shape memory polyurethanes by dissipative particle dynamics simulations. Polym Chem 8:260–27110.1039/C6PY01214K ↗
15. Marson RL, Huang Y, Huang M, Fu T, Larson RG (2018) Inertio-capillary cross-streamline drift of droplets in Poiseuille flow using dissipative particle dynamics simulations. Soft Matter 14:2267–228010.1039/C7SM02294H ↗
16. Liu H, Cavaliere S, Jones DJ, Roziere J, Paddison SJ (2018) Morphology of hydrated nafion through a quantitative cluster analysis: a case study based on dissipative particle dynamics simulations. J Phys Chem C 122:13130–1313910.1021/acs.jpcc.8b01842 ↗
17. Du CM, Ji YJ, Xue JW, Hou TJ, Tang JX, Lee ST, Li YY (2015) Morphology and performance of polymer solar cell characterized by DPD simulation and graph theory. Sci Rep 5:1685410.1038/srep16854 ↗
18. Lu T, Guo H (2018) Phase behavior of lipid bilayers: a dissipative particle dynamics simulation study. Adv Theory Simul 5:1–13
19. Liu Y, Wang X, Yan H, Guan C, Yang W (2011) Dissipative particle dynamics simulation on the fiber dropping process of melt electrospinning. J Mater Sci 46:7877–7882. https://doi.org/10.1007/s10853-011-5769-010.1007/s10853-011-5769-0 ↗
20. Song Q, Zhang J, Liu Y (2017) Mesoscale simulation of a melt electrospinning jet in a periodically changing electric field. Chem J Chin Univ 38:966–974
21. Wang X, Liu Y, Zhang C, An Y, He X, Yang W (2013) Simulation on electrical field distribution and fiber falls in melt electrospinning. J Nanosci Nanotechnol 13:4680–468510.1166/jnn.2013.7198 ↗
22. Liu Y, Kong B, Yang X (2005) Studies on some factors influencing the interfacial tension measurement of polymers. Polymer 46:2811–281610.1016/j.polymer.2005.01.073 ↗
23. Liu Y, Yang X, Yang M, Li T (2004) Mesoscale simulation on the shape evolution of polymer drop and initial geometry influence. Polymer 45:6985–699110.1016/j.polymer.2004.08.022 ↗
24. Lísal M, Šindelka K, Suchá L, Limpouchová Z, Procházka K (2017) Dissipative particle dynamics simulations of polyelectrolyte self-assemblies. methods with explicit electrostatics. Polym Sci Ser C 59:77–10110.1134/S1811238217010052 ↗
25. Alizadehrad D, Fedosov DA (2018) Static and dynamic properties of smoothed dissipative particle dynamics. J Comput Phys 356:303–31810.1016/j.jcp.2017.12.009 ↗
26. Wang Z, Quik JTK, Song L, Wouterse M, Peijnenburg WJGM (2018) Dissipative particle dynamic simulation and experimental assessment of the impacts of humic substances on aqueous aggregation and dispersion of engineered nanoparticles. Environ Toxicol Chem 37:1024–103110.1002/etc.4059 ↗
27. Ketkaew R, Tantirungrotechai Y (2018) Dissipative particle dynamics study of SWCNT reinforced natural rubber composite system: an important role of self-avoiding model on mechanical properties. Macromol Theor Simul 27:170009310.1002/mats.201700093 ↗
28. Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comput Phys 117:1–1910.1006/jcph.1995.1039 ↗
29. Liu SL, Long YZ, Zhang ZH, Zhang HD, Sun B, Zhang JC, Han WP (2013) Assembly of oriented ultrafine polymer fibers by centrifugal electrospinning. J Nanomater 2013:713275
30. Erickson AE, Edmondson D, Chang FC, Wood D, Gong A, Levengood SL, Zhang MQ (2015) High-throughput and high-yield fabrication of uniaxially-aligned chitosan-based nanofibers by centrifugal electrospinning. Carbohydr Polym 134:467–47410.1016/j.carbpol.2015.07.097 ↗
31. Liu SL, Sun B, Yin HX, Zhang ZH, Tang CC, Long YZ, Han YM (2013) Fabrication of fluorescent polymer crossbar arrays and microropes via centrifugal electrospinning. Adv Mater Res 517:785–78610.4028/www.scientific.net/AMR.765-767.785 ↗
32. Li Z, Yuan Y, Chen B, Liu Y, Nie J, Ma G (2017) Photo and thermal cured silicon-containing diethynylbenzene fibers via melt electrospinning with enhanced thermal stability. J Polym Sci Pol Chem 55:2815–282310.1002/pola.28687 ↗
33. Peng H (2017) The experiment and simulation exploration of centrifugal melt electrospinning. Master Thesis, Beijing University of Chemical Technology
34. Luo C, Kröger M, Sommer J (2017) Molecular dynamics simulations of polymer crystallization under confinement: entanglement effect. Polymer 109:71–8410.1016/j.polymer.2016.12.011 ↗
35. Hagita K, Morita H, Takano H (2016) Molecular dynamics simulation study of a fracture of filler-filled polymer nanocomposites. Polymer 99:368–37510.1016/j.polymer.2016.07.030 ↗
36. Sliozberg YR, Mrozek RA, Schieber JD, Kröger M, Lenhart JL, Andzelm JW (2013) Effect of polymer solvent on the mechanical properties of entangled polymer gels: coarse-grained molecular simulation. Polymer 54:2555–256410.1016/j.polymer.2013.03.017 ↗
37. Kröger M (2005) Shortest multiple disconnected path for the analysis of entanglements in two- and three-dimensional polymeric systems. Comput Phys Commun 168:209–23210.1016/j.cpc.2005.01.020 ↗
38. Xie G, Wang Y, Han XT, Gong Y, Wang JP, Zhang JM, Deng DP, Liu Y (2016) Pulsed electric fields on poly-l-(lactic acid) melt electrospun fibers. Ind Eng Chem Res 55:7116–712310.1021/acs.iecr.6b00958 ↗
39. Li K, Wang Y, Xie G, Kang JX, He H, Wang KJ, Liu Y (2018) Solution electrospinning with a pulsed electric field. J Appl Polym Sci 135:4613010.1002/app.46130 ↗
40. Xie J, Jiang J, Davoodi P, Srinivasan MP, Wang C (2015) Electrohydrodynamic atomization: a two-decade effort to produce and process micro-/nanoparticulate materials. Chem Eng Sci 125:32–5710.1016/j.ces.2014.08.061 ↗
41. Sarkar S, Deevi S, Tepper G (2007) Biased AC electrospinning of aligned polymer nanofibers. Macromol Rapid Commun 28:1034–103910.1002/marc.200700053 ↗
42. Pokorny P, Kostakova E, Sanetrnik F (2014) Effective AC needleless and collectorless electrospinning for yarn production. Phys Chem Chem Phys 16:26816–2682210.1039/C4CP04346D ↗