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ID 51509
creator
Fujimitsu, Ryo
subject
Solubility
Supercritical carbon dioxide
PC-SAFT (perturbed-chain statistical associating fluid theory)
Metal acetylacetonate
Prediction
Deposition
abstract
Solubilities of metal precursors in supercritical carbon dioxide (scCO2) are needed to effectively design the scCO2-based deposition method. Herein, a method for predicting the solubilities of metal acetylacetonate (acac) precursors in scCO2 was developed using the perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state. Three PC-SAFT pure-component parameters viz., the segment diameter, segment number, and dispersion energy, for two metal acetylacetonates (Cr(acac)3 and Cu(acac)2) were determined by adjusting their values to the measured solubilities in organic solvents. The PC-SAFT parameters of Cr(acac)3 and Cu(acac)2 were then applied to predict the experimentally determined metal precursor solubilities in scCO2 from the literature. The PC-SAFT predictions accurately described the experimental solubilities in scCO2 over a wide range of pressures and temperatures even if the binary interaction parameter kij was set to 0. The isobaric solubilities in scCO2 were also calculated with the generalized kij values, which provided a successful PC-SAFT description.
description
This work was supported by a JSPS (Japan Society for the Promotion of Science)KAKENHI Grant-in-Aid for Scientific Research [grant number 18K14045].
journal title
The Journal of Supercritical Fluids
volume
Volume 164
start page
104909
date of issued
2020-10-01
publisher
Elsevier
issn
0896-8446
publisher doi
language
eng
nii type
Journal Article
HU type
Journal Articles
DCMI type
text
format
application/pdf
text version
author
rights
© 2020. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
This is not the published version. Please cite only the published version. この論文は出版社版ではありません。引用の際には出版社版をご確認、ご利用ください。
relation url
department
Graduate School of Advanced Science and Engineering
note
The full-text file will be made open to the public on 25 May 2022 in accordance with publisher's 'Terms and Conditions for Self-Archiving'