Filho, PIO;
Carmalt, CJ;
Angeli, P;
Fraga, ES;
(2020)
Mathematical Modeling for the Design and Scale-Up of a Large Industrial Aerosol-Assisted Chemical Vapor Deposition Process under Uncertainty.
Industrial & Engineering Chemistry Research
10.1021/acs.iecr.9b05869.
(In press).
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Abstract
Aerosol-assisted chemical vapor deposition (AACVD) can be used to produce coatings and thin films such as transparent conducting oxide (TCO) films, which are used in self-cleaning surfaces, solar cells, and other electronic and optoelectronic applications. A process based on AACVD consists of a number of steps: aerosol generation, aerosol transport, aerosol delivery, and chemical deposition. Predicting the behavior of such a process at an industrial scale is challenging due to a number of factors: the aerosol generation creates droplets of different sizes, losses are incurred in the transport, the delivery must evaporate the solvent to release the precursors, and the reactions on the surface of the deposition target may be complex. This paper describes a full process model, including the prediction of the size distribution of the generated aerosol, the number and size of droplets delivered, the carrier gas temperature profile at the reaction site, the solvent evaporation time, and the rate of film formation. The key modeling challenges addressed include incorporating the impact of uncertainties in parameters such as heat and mass transfer coefficients and reaction rate constants. Preliminary simulations demonstrate a proof of concept for the use of simulation for gaining insights into the feasibility of a process scale-up for an industrial-scale AACVD.
| Type: | Article |
|---|---|
| Title: | Mathematical Modeling for the Design and Scale-Up of a Large Industrial Aerosol-Assisted Chemical Vapor Deposition Process under Uncertainty |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1021/acs.iecr.9b05869 |
| Publisher version: | https://doi.org/10.1021/acs.iecr.9b05869 |
| Language: | English |
| Additional information: | This is an open access article published under a Creative Commons Attribution (CC-BY) License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html), which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Chemical Engineering UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10089711 |
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