Alternative geometric arrangements of the nozzle outlet orifice for liquid micro-jet focusing in gas dynamic virtual nozzles

Šarler, Božidar (author), Zahoor, Rizwan (author), Bajt, Saša (author)

Liquid micro-jets are crucial for sample delivery of protein crystals and other macromolecular samples in serial femtosecond crystallography. When combined with MHz repetition rate sources, such as the European X-ray free-electron laser (EuXFEL) facility, it is important that the diffraction patterns are collected before the samples are damaged. This requires extremely thin and very fast jets. In this paper we first explore numerically the influence of different nozzle orifice designs on jet parameters and finally compare our simulations with the experimental data obtained for one particular design. A gas dynamic virtual nozzle (GDVN) model, based on a mixture formulation of Newtonian, compressible, two-phase flow, is numerically solved with the finite volume method and volume of fluid approach to deal with the moving boundary between the gas and liquid phases. The goal is to maximize the jet velocity and its length while minimizing the jet thickness. The design studies incorporate differently shaped nozzle orifices, including an elongated orifice with a constant diameter and an orifice with a diverging angle. These are extensions of the nozzle geometry we investigated in our previous studies. Based on these simulations it is concluded that the extension of the constant diameter channel makes a negligible contribution to the jet's length and its velocity. A change in the angle of the nozzle outlet orifice, however, has a significant effect on jet parameters. We find these kinds of simulation extremely useful for testing and optimizing novel nozzle designs.

• Language: English
• Keywords: serial femtosecond crystallography, micro-jet, jetting, dripping, compressible two-phase flow, finite volume method, volume of fluid method, nozzle orifice design
• Work type: Article
• Typology: 1.01 - Original Scientific Article
• Organization: FS - Faculty of Mechanical Engineering
• Publication status: Published
• Publication version: Version of Record
• Year: 2021
• Number of pages: 17 str.
• Numbering: Vol. 14, iss. 6, art. 1572
• PID: 20.500.12556/RUL-135232
• UDC: 519.8:533(045)
• ISSN on article: 1996-1944
• DOI: 10.3390/ma14061572
• COBISS.SI-ID: 57106947
• Publication date in RUL: 02.03.2022

Record is a part of a journal

• Title: Materials
• Shortened title: Materials
• Publisher: Molecular Diversity Preservation International
• ISSN: 1996-1944
• COBISS.SI-ID: 33588485

Licences

• License: CC BY 4.0, Creative Commons Attribution 4.0 International
• Link: http://creativecommons.org/licenses/by/4.0/
• Description: This is the standard Creative Commons license that gives others maximum freedom to do what they want with the work as long as they credit the author.
• Licensing start date: 23.03.2021

Secondary language

• Language: Slovenian
• Keywords: serijska femtosekundna kristalografija, mikro-curek, brizganje, kapljanje stisljiv dvofazni tok, metoda končnih volumnov, metoda volumna tekočine, zasnova odprtine šobe