Loading…

Experimental and computational phase behavior investigation for the CO2 + 1H, 1H-perfluorooctyl acrylate and CO2 + 1H, 1H-perfluorooctyl methacrylate systems at high pressure

[Display omitted] •The thermodynamics equilibrium properties for the two-component mixture of 1H, 1H-perfluorooctyl acrylate (PFOA) and 1H, 1H-perfluorooctyl methacrylate (PFOMA) in supercritical CO2 were investigated.•The phase behaviour of PFOA + SC-CO2 and PFOMA + SC-CO2 exhibits a type-I model.•...

Full description

Saved in:
Bibliographic Details
Published in:Arabian journal of chemistry 2023-07, Vol.16 (7), p.104862, Article 104862
Main Authors: Dhamodharan, Duraisami, Park, Min-Soo, Mubarak, Suhail, Byun, Hun-Soo
Format: Article
Language:English
Subjects:
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by
cites cdi_FETCH-LOGICAL-c367t-11847626455a89d537601f19eb7f23cd40ed2e44fff8f840c87ac53caf3870b23
container_end_page
container_issue 7
container_start_page 104862
container_title Arabian journal of chemistry
container_volume 16
creator Dhamodharan, Duraisami
Park, Min-Soo
Mubarak, Suhail
Byun, Hun-Soo
description [Display omitted] •The thermodynamics equilibrium properties for the two-component mixture of 1H, 1H-perfluorooctyl acrylate (PFOA) and 1H, 1H-perfluorooctyl methacrylate (PFOMA) in supercritical CO2 were investigated.•The phase behaviour of PFOA + SC-CO2 and PFOMA + SC-CO2 exhibits a type-I model.•The vapor and liquid curves of as-proposed two-component models (PFOA + SC-CO2 and PFOMA + SC-CO2) were investiagted by experimentaly as well as numerically (Peng-Robinson equation of state).•The as-proposed binary models (PFOA + SC-CO2 and PFOMA + SC-CO2) experimental results were shows a good fit with the numerical simulated results (Peng-Robinson equation of state). The solubility information of fluoro-monomer (meth) acrylate in organic solvents is an important factor affecting their use in numerous engineering practices. This study investigated the phase equilibria of 1H, 1H-perfluorooctyl acrylate (PFOA) and 1H, 1H-perfluorooctyl methacrylate (PFOMA) in supercritical CO2 using optical fiber and contact lenses. The solubility curves investigations were conducted at different temperatures (313.2 to 393.2) K and pressures (3.31 to 16.84) MPa, and the mole fraction of (0.032 to 0.630).Results revealed that the PFOA + SC-CO2 and PFOMA + SC-CO2 systems exhibited a type-I behavior. The RMSD (%) for the PFOA + SC-CO2 [kij = 0.075, ηij = 0.0], and PFOMA + SC-CO2 [kij = 0.075, ηij = 0.0] models using two factors determined at 353.2 K evaluated with the alterable parameters at each T were 5.08 %, and 5.36 %, respectively. The correlation of the experimental response for the PFOA + SC-CO2 and PFOMA + SC-CO2 two component models were examined using Peng-Robinson (PR) equation of state (EOS) involving two parameters (kij, ηij) base on a fluid mixture rule. Additionally, the critical properties (pc, Tc and ω) and vapor pressure of PFOA and PFOMA were assessed using the Joback-Lyderson group impact.
doi_str_mv 10.1016/j.arabjc.2023.104862
format article
fullrecord <record><control><sourceid>elsevier_doaj_</sourceid><recordid>TN_cdi_doaj_primary_oai_doaj_org_article_fbc5816bfde14f8e9c94cc71526d826f</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><els_id>S1878535223003246</els_id><doaj_id>oai_doaj_org_article_fbc5816bfde14f8e9c94cc71526d826f</doaj_id><sourcerecordid>S1878535223003246</sourcerecordid><originalsourceid>FETCH-LOGICAL-c367t-11847626455a89d537601f19eb7f23cd40ed2e44fff8f840c87ac53caf3870b23</originalsourceid><addsrcrecordid>eNp9kcFu2zAMho1iA9Z1e4MddO-cSrIsyZcBQ9AuBQr00p0FWaZiGY5lSEqwvE2foY_QJ6saDzn2ROIn-YHkXxQ_CF4RTPjNsNJBt4NZUUyrLDHJ6UVxSaSQZV2J5tM5r-mX4muMA8YC44pfFi-3_2YIbgdT0iPSU4eM3837pJPzU1bmXkdALfT64HxAbjpATG57KiObldQDWj_S1-fr12ey-YnIpsxAO-598N6kY4aacBx1ghP949YdpP7cHo8xwS4inVDvtj2aA8S4D_Ct-Gz1GOH7_3hV_L27fVpvyofHP_fr3w-lqbhIJSGSCU45q2stmy7_gWNiSQOtsLQyHcPQUWDMWiutZNhIoU1dGW0rKXBLq6vifuF2Xg9qzk_S4ai8duok-LBVOiRnRlC2NbUkvLUdEGYlNKZhxghSU95Jym1msYVlgo8xgD3zCFbvHqpBLR6qdw_V4mEe-7WMQb7z4CCoaBxMBjoXwKS8iPsY8AYhNKyq</addsrcrecordid><sourcetype>Open Website</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Experimental and computational phase behavior investigation for the CO2 + 1H, 1H-perfluorooctyl acrylate and CO2 + 1H, 1H-perfluorooctyl methacrylate systems at high pressure</title><source>ScienceDirect</source><source>Free Full-Text Journals in Chemistry</source><creator>Dhamodharan, Duraisami ; Park, Min-Soo ; Mubarak, Suhail ; Byun, Hun-Soo</creator><creatorcontrib>Dhamodharan, Duraisami ; Park, Min-Soo ; Mubarak, Suhail ; Byun, Hun-Soo</creatorcontrib><description>[Display omitted] •The thermodynamics equilibrium properties for the two-component mixture of 1H, 1H-perfluorooctyl acrylate (PFOA) and 1H, 1H-perfluorooctyl methacrylate (PFOMA) in supercritical CO2 were investigated.•The phase behaviour of PFOA + SC-CO2 and PFOMA + SC-CO2 exhibits a type-I model.•The vapor and liquid curves of as-proposed two-component models (PFOA + SC-CO2 and PFOMA + SC-CO2) were investiagted by experimentaly as well as numerically (Peng-Robinson equation of state).•The as-proposed binary models (PFOA + SC-CO2 and PFOMA + SC-CO2) experimental results were shows a good fit with the numerical simulated results (Peng-Robinson equation of state). The solubility information of fluoro-monomer (meth) acrylate in organic solvents is an important factor affecting their use in numerous engineering practices. This study investigated the phase equilibria of 1H, 1H-perfluorooctyl acrylate (PFOA) and 1H, 1H-perfluorooctyl methacrylate (PFOMA) in supercritical CO2 using optical fiber and contact lenses. The solubility curves investigations were conducted at different temperatures (313.2 to 393.2) K and pressures (3.31 to 16.84) MPa, and the mole fraction of (0.032 to 0.630).Results revealed that the PFOA + SC-CO2 and PFOMA + SC-CO2 systems exhibited a type-I behavior. The RMSD (%) for the PFOA + SC-CO2 [kij = 0.075, ηij = 0.0], and PFOMA + SC-CO2 [kij = 0.075, ηij = 0.0] models using two factors determined at 353.2 K evaluated with the alterable parameters at each T were 5.08 %, and 5.36 %, respectively. The correlation of the experimental response for the PFOA + SC-CO2 and PFOMA + SC-CO2 two component models were examined using Peng-Robinson (PR) equation of state (EOS) involving two parameters (kij, ηij) base on a fluid mixture rule. Additionally, the critical properties (pc, Tc and ω) and vapor pressure of PFOA and PFOMA were assessed using the Joback-Lyderson group impact.</description><identifier>ISSN: 1878-5352</identifier><identifier>EISSN: 1878-5379</identifier><identifier>DOI: 10.1016/j.arabjc.2023.104862</identifier><language>eng</language><publisher>Elsevier B.V</publisher><subject>Carbon dioxide ; High-pressure phase behavior ; PFOA ; PFOMA</subject><ispartof>Arabian journal of chemistry, 2023-07, Vol.16 (7), p.104862, Article 104862</ispartof><rights>2023 The Author(s)</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c367t-11847626455a89d537601f19eb7f23cd40ed2e44fff8f840c87ac53caf3870b23</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S1878535223003246$$EHTML$$P50$$Gelsevier$$Hfree_for_read</linktohtml><link.rule.ids>314,780,784,3549,27924,27925,45780</link.rule.ids></links><search><creatorcontrib>Dhamodharan, Duraisami</creatorcontrib><creatorcontrib>Park, Min-Soo</creatorcontrib><creatorcontrib>Mubarak, Suhail</creatorcontrib><creatorcontrib>Byun, Hun-Soo</creatorcontrib><title>Experimental and computational phase behavior investigation for the CO2 + 1H, 1H-perfluorooctyl acrylate and CO2 + 1H, 1H-perfluorooctyl methacrylate systems at high pressure</title><title>Arabian journal of chemistry</title><description>[Display omitted] •The thermodynamics equilibrium properties for the two-component mixture of 1H, 1H-perfluorooctyl acrylate (PFOA) and 1H, 1H-perfluorooctyl methacrylate (PFOMA) in supercritical CO2 were investigated.•The phase behaviour of PFOA + SC-CO2 and PFOMA + SC-CO2 exhibits a type-I model.•The vapor and liquid curves of as-proposed two-component models (PFOA + SC-CO2 and PFOMA + SC-CO2) were investiagted by experimentaly as well as numerically (Peng-Robinson equation of state).•The as-proposed binary models (PFOA + SC-CO2 and PFOMA + SC-CO2) experimental results were shows a good fit with the numerical simulated results (Peng-Robinson equation of state). The solubility information of fluoro-monomer (meth) acrylate in organic solvents is an important factor affecting their use in numerous engineering practices. This study investigated the phase equilibria of 1H, 1H-perfluorooctyl acrylate (PFOA) and 1H, 1H-perfluorooctyl methacrylate (PFOMA) in supercritical CO2 using optical fiber and contact lenses. The solubility curves investigations were conducted at different temperatures (313.2 to 393.2) K and pressures (3.31 to 16.84) MPa, and the mole fraction of (0.032 to 0.630).Results revealed that the PFOA + SC-CO2 and PFOMA + SC-CO2 systems exhibited a type-I behavior. The RMSD (%) for the PFOA + SC-CO2 [kij = 0.075, ηij = 0.0], and PFOMA + SC-CO2 [kij = 0.075, ηij = 0.0] models using two factors determined at 353.2 K evaluated with the alterable parameters at each T were 5.08 %, and 5.36 %, respectively. The correlation of the experimental response for the PFOA + SC-CO2 and PFOMA + SC-CO2 two component models were examined using Peng-Robinson (PR) equation of state (EOS) involving two parameters (kij, ηij) base on a fluid mixture rule. Additionally, the critical properties (pc, Tc and ω) and vapor pressure of PFOA and PFOMA were assessed using the Joback-Lyderson group impact.</description><subject>Carbon dioxide</subject><subject>High-pressure phase behavior</subject><subject>PFOA</subject><subject>PFOMA</subject><issn>1878-5352</issn><issn>1878-5379</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><sourceid>DOA</sourceid><recordid>eNp9kcFu2zAMho1iA9Z1e4MddO-cSrIsyZcBQ9AuBQr00p0FWaZiGY5lSEqwvE2foY_QJ6saDzn2ROIn-YHkXxQ_CF4RTPjNsNJBt4NZUUyrLDHJ6UVxSaSQZV2J5tM5r-mX4muMA8YC44pfFi-3_2YIbgdT0iPSU4eM3837pJPzU1bmXkdALfT64HxAbjpATG57KiObldQDWj_S1-fr12ey-YnIpsxAO-598N6kY4aacBx1ghP949YdpP7cHo8xwS4inVDvtj2aA8S4D_Ct-Gz1GOH7_3hV_L27fVpvyofHP_fr3w-lqbhIJSGSCU45q2stmy7_gWNiSQOtsLQyHcPQUWDMWiutZNhIoU1dGW0rKXBLq6vifuF2Xg9qzk_S4ai8duok-LBVOiRnRlC2NbUkvLUdEGYlNKZhxghSU95Jym1msYVlgo8xgD3zCFbvHqpBLR6qdw_V4mEe-7WMQb7z4CCoaBxMBjoXwKS8iPsY8AYhNKyq</recordid><startdate>202307</startdate><enddate>202307</enddate><creator>Dhamodharan, Duraisami</creator><creator>Park, Min-Soo</creator><creator>Mubarak, Suhail</creator><creator>Byun, Hun-Soo</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>6I.</scope><scope>AAFTH</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>DOA</scope></search><sort><creationdate>202307</creationdate><title>Experimental and computational phase behavior investigation for the CO2 + 1H, 1H-perfluorooctyl acrylate and CO2 + 1H, 1H-perfluorooctyl methacrylate systems at high pressure</title><author>Dhamodharan, Duraisami ; Park, Min-Soo ; Mubarak, Suhail ; Byun, Hun-Soo</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c367t-11847626455a89d537601f19eb7f23cd40ed2e44fff8f840c87ac53caf3870b23</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Carbon dioxide</topic><topic>High-pressure phase behavior</topic><topic>PFOA</topic><topic>PFOMA</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Dhamodharan, Duraisami</creatorcontrib><creatorcontrib>Park, Min-Soo</creatorcontrib><creatorcontrib>Mubarak, Suhail</creatorcontrib><creatorcontrib>Byun, Hun-Soo</creatorcontrib><collection>ScienceDirect Open Access Titles</collection><collection>Elsevier:ScienceDirect:Open Access</collection><collection>CrossRef</collection><collection>DOAJ Directory of Open Access Journals</collection><jtitle>Arabian journal of chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Dhamodharan, Duraisami</au><au>Park, Min-Soo</au><au>Mubarak, Suhail</au><au>Byun, Hun-Soo</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Experimental and computational phase behavior investigation for the CO2 + 1H, 1H-perfluorooctyl acrylate and CO2 + 1H, 1H-perfluorooctyl methacrylate systems at high pressure</atitle><jtitle>Arabian journal of chemistry</jtitle><date>2023-07</date><risdate>2023</risdate><volume>16</volume><issue>7</issue><spage>104862</spage><pages>104862-</pages><artnum>104862</artnum><issn>1878-5352</issn><eissn>1878-5379</eissn><abstract>[Display omitted] •The thermodynamics equilibrium properties for the two-component mixture of 1H, 1H-perfluorooctyl acrylate (PFOA) and 1H, 1H-perfluorooctyl methacrylate (PFOMA) in supercritical CO2 were investigated.•The phase behaviour of PFOA + SC-CO2 and PFOMA + SC-CO2 exhibits a type-I model.•The vapor and liquid curves of as-proposed two-component models (PFOA + SC-CO2 and PFOMA + SC-CO2) were investiagted by experimentaly as well as numerically (Peng-Robinson equation of state).•The as-proposed binary models (PFOA + SC-CO2 and PFOMA + SC-CO2) experimental results were shows a good fit with the numerical simulated results (Peng-Robinson equation of state). The solubility information of fluoro-monomer (meth) acrylate in organic solvents is an important factor affecting their use in numerous engineering practices. This study investigated the phase equilibria of 1H, 1H-perfluorooctyl acrylate (PFOA) and 1H, 1H-perfluorooctyl methacrylate (PFOMA) in supercritical CO2 using optical fiber and contact lenses. The solubility curves investigations were conducted at different temperatures (313.2 to 393.2) K and pressures (3.31 to 16.84) MPa, and the mole fraction of (0.032 to 0.630).Results revealed that the PFOA + SC-CO2 and PFOMA + SC-CO2 systems exhibited a type-I behavior. The RMSD (%) for the PFOA + SC-CO2 [kij = 0.075, ηij = 0.0], and PFOMA + SC-CO2 [kij = 0.075, ηij = 0.0] models using two factors determined at 353.2 K evaluated with the alterable parameters at each T were 5.08 %, and 5.36 %, respectively. The correlation of the experimental response for the PFOA + SC-CO2 and PFOMA + SC-CO2 two component models were examined using Peng-Robinson (PR) equation of state (EOS) involving two parameters (kij, ηij) base on a fluid mixture rule. Additionally, the critical properties (pc, Tc and ω) and vapor pressure of PFOA and PFOMA were assessed using the Joback-Lyderson group impact.</abstract><pub>Elsevier B.V</pub><doi>10.1016/j.arabjc.2023.104862</doi><oa>free_for_read</oa></addata></record>
fulltext fulltext
identifier ISSN: 1878-5352
ispartof Arabian journal of chemistry, 2023-07, Vol.16 (7), p.104862, Article 104862
issn 1878-5352
1878-5379
language eng
recordid cdi_doaj_primary_oai_doaj_org_article_fbc5816bfde14f8e9c94cc71526d826f
source ScienceDirect; Free Full-Text Journals in Chemistry
subjects Carbon dioxide
High-pressure phase behavior
PFOA
PFOMA
title Experimental and computational phase behavior investigation for the CO2 + 1H, 1H-perfluorooctyl acrylate and CO2 + 1H, 1H-perfluorooctyl methacrylate systems at high pressure
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-25T22%3A05%3A39IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-elsevier_doaj_&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Experimental%20and%20computational%20phase%20behavior%20investigation%20for%20the%20CO2%C2%A0+%C2%A01H,%201H-perfluorooctyl%20acrylate%20and%20CO2%C2%A0+%C2%A01H,%201H-perfluorooctyl%20methacrylate%20systems%20at%20high%20pressure&rft.jtitle=Arabian%20journal%20of%20chemistry&rft.au=Dhamodharan,%20Duraisami&rft.date=2023-07&rft.volume=16&rft.issue=7&rft.spage=104862&rft.pages=104862-&rft.artnum=104862&rft.issn=1878-5352&rft.eissn=1878-5379&rft_id=info:doi/10.1016/j.arabjc.2023.104862&rft_dat=%3Celsevier_doaj_%3ES1878535223003246%3C/elsevier_doaj_%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c367t-11847626455a89d537601f19eb7f23cd40ed2e44fff8f840c87ac53caf3870b23%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true