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Alternative Geometric Arrangements of the Nozzle Outlet Orifice for Liquid Micro-Jet Focusing in Gas Dynamic Virtual Nozzles

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 pattern...

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Autores principales: Šarler, Božidar, Zahoor, Rizwan, Bajt, Saša
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8005030/
https://www.ncbi.nlm.nih.gov/pubmed/33807027
http://dx.doi.org/10.3390/ma14061572
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author Šarler, Božidar
Zahoor, Rizwan
Bajt, Saša
author_facet Šarler, Božidar
Zahoor, Rizwan
Bajt, Saša
author_sort Šarler, Božidar
collection PubMed
description 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.
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spelling pubmed-80050302021-03-29 Alternative Geometric Arrangements of the Nozzle Outlet Orifice for Liquid Micro-Jet Focusing in Gas Dynamic Virtual Nozzles Šarler, Božidar Zahoor, Rizwan Bajt, Saša Materials (Basel) Article 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. MDPI 2021-03-23 /pmc/articles/PMC8005030/ /pubmed/33807027 http://dx.doi.org/10.3390/ma14061572 Text en © 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Šarler, Božidar
Zahoor, Rizwan
Bajt, Saša
Alternative Geometric Arrangements of the Nozzle Outlet Orifice for Liquid Micro-Jet Focusing in Gas Dynamic Virtual Nozzles
title Alternative Geometric Arrangements of the Nozzle Outlet Orifice for Liquid Micro-Jet Focusing in Gas Dynamic Virtual Nozzles
title_full Alternative Geometric Arrangements of the Nozzle Outlet Orifice for Liquid Micro-Jet Focusing in Gas Dynamic Virtual Nozzles
title_fullStr Alternative Geometric Arrangements of the Nozzle Outlet Orifice for Liquid Micro-Jet Focusing in Gas Dynamic Virtual Nozzles
title_full_unstemmed Alternative Geometric Arrangements of the Nozzle Outlet Orifice for Liquid Micro-Jet Focusing in Gas Dynamic Virtual Nozzles
title_short Alternative Geometric Arrangements of the Nozzle Outlet Orifice for Liquid Micro-Jet Focusing in Gas Dynamic Virtual Nozzles
title_sort alternative geometric arrangements of the nozzle outlet orifice for liquid micro-jet focusing in gas dynamic virtual nozzles
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8005030/
https://www.ncbi.nlm.nih.gov/pubmed/33807027
http://dx.doi.org/10.3390/ma14061572
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