Stability of nanoparticle laden aerosol liquid droplets
We develop a model for the thermodynamics and evaporation dynamics of aerosol droplets of a liquid, such as water, surrounded by gas. When the temperature and the chemical potential (or equivalently the humidity) are such that the vapor phase is in the thermodynamic equilibrium state, then, of cours...
Gespeichert in:
Veröffentlicht in: | The Journal of chemical physics 2023-11, Vol.159 (19) |
---|---|
Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
container_end_page | |
---|---|
container_issue | 19 |
container_start_page | |
container_title | The Journal of chemical physics |
container_volume | 159 |
creator | Archer, A. J. Goddard, B. D. Roth, R. |
description | We develop a model for the thermodynamics and evaporation dynamics of aerosol droplets of a liquid, such as water, surrounded by gas. When the temperature and the chemical potential (or equivalently the humidity) are such that the vapor phase is in the thermodynamic equilibrium state, then, of course, droplets of the pure liquid evaporate over a relatively short time. However, if the droplets also contain nanoparticles or any other non-volatile solute, then the droplets can become thermodynamically stable. We show that the equilibrium droplet size depends strongly on the amount and solubility of the nanoparticles within, i.e., on the nature of the particle interactions with the liquid and, of course, also on the vapor temperature and chemical potential. We develop a simple thermodynamic model for such droplets and compare predictions with results from a lattice density functional theory that takes as input the same particle interaction properties, finding very good agreement. We also use dynamical density functional theory to study the evaporation/condensation dynamics of liquid from/to droplets as they equilibrate with the vapor, thereby demonstrating droplet stability. |
doi_str_mv | 10.1063/5.0172137 |
format | Article |
fullrecord | <record><control><sourceid>proquest_scita</sourceid><recordid>TN_cdi_scitation_primary_10_1063_5_0172137</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2892010247</sourcerecordid><originalsourceid>FETCH-LOGICAL-c360t-686a24a11d602ab37651a5c20d23b0822b05f1c5d3a8491ce5be1b4b899719203</originalsourceid><addsrcrecordid>eNp90L1OwzAUBWALgUQpDLxBJBZASrnXdpx4RBV_UiUGYI4cx5FcuXFqO0PfnlTpxMB0lk9H9x5CbhFWCII9FSvAkiIrz8gCoZJ5KSSckwUAxVwKEJfkKsYtwJHxBSm_kmqss-mQ-S7rVe8HFZLVzmROtabPlAk-epc5ux9tm7XBD86keE0uOuWiuTnlkvy8vnyv3_PN59vH-nmTayYg5aISinKF2AqgqmGlKFAVmkJLWQMVpQ0UHeqiZariErUpGoMNbyopS5QU2JLcz71D8PvRxFTvbNTGOdUbP8aaVpNCoLyc6N0fuvVj6KfrjopJzpFWk3qYlZ7-isF09RDsToVDjVAfJ6yL-jThZB9nG7VNKlnf_4N_ARBHbf8</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2893944128</pqid></control><display><type>article</type><title>Stability of nanoparticle laden aerosol liquid droplets</title><source>AIP Journals Complete</source><source>Alma/SFX Local Collection</source><creator>Archer, A. J. ; Goddard, B. D. ; Roth, R.</creator><creatorcontrib>Archer, A. J. ; Goddard, B. D. ; Roth, R.</creatorcontrib><description>We develop a model for the thermodynamics and evaporation dynamics of aerosol droplets of a liquid, such as water, surrounded by gas. When the temperature and the chemical potential (or equivalently the humidity) are such that the vapor phase is in the thermodynamic equilibrium state, then, of course, droplets of the pure liquid evaporate over a relatively short time. However, if the droplets also contain nanoparticles or any other non-volatile solute, then the droplets can become thermodynamically stable. We show that the equilibrium droplet size depends strongly on the amount and solubility of the nanoparticles within, i.e., on the nature of the particle interactions with the liquid and, of course, also on the vapor temperature and chemical potential. We develop a simple thermodynamic model for such droplets and compare predictions with results from a lattice density functional theory that takes as input the same particle interaction properties, finding very good agreement. We also use dynamical density functional theory to study the evaporation/condensation dynamics of liquid from/to droplets as they equilibrate with the vapor, thereby demonstrating droplet stability.</description><identifier>ISSN: 0021-9606</identifier><identifier>EISSN: 1089-7690</identifier><identifier>DOI: 10.1063/5.0172137</identifier><identifier>CODEN: JCPSA6</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Aerosols ; Chemical potential ; Density functional theory ; Droplets ; Evaporation ; Nanoparticles ; Particle interactions ; Physics ; Stability ; Thermodynamic equilibrium ; Thermodynamic models ; Thermodynamics ; Vapor phases</subject><ispartof>The Journal of chemical physics, 2023-11, Vol.159 (19)</ispartof><rights>Author(s)</rights><rights>2023 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c360t-686a24a11d602ab37651a5c20d23b0822b05f1c5d3a8491ce5be1b4b899719203</citedby><cites>FETCH-LOGICAL-c360t-686a24a11d602ab37651a5c20d23b0822b05f1c5d3a8491ce5be1b4b899719203</cites><orcidid>0000-0001-6271-7646 ; 0000-0002-8781-014X ; 0000-0002-4706-2204</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/jcp/article-lookup/doi/10.1063/5.0172137$$EHTML$$P50$$Gscitation$$Hfree_for_read</linktohtml><link.rule.ids>314,776,780,790,4498,27901,27902,76126</link.rule.ids></links><search><creatorcontrib>Archer, A. J.</creatorcontrib><creatorcontrib>Goddard, B. D.</creatorcontrib><creatorcontrib>Roth, R.</creatorcontrib><title>Stability of nanoparticle laden aerosol liquid droplets</title><title>The Journal of chemical physics</title><description>We develop a model for the thermodynamics and evaporation dynamics of aerosol droplets of a liquid, such as water, surrounded by gas. When the temperature and the chemical potential (or equivalently the humidity) are such that the vapor phase is in the thermodynamic equilibrium state, then, of course, droplets of the pure liquid evaporate over a relatively short time. However, if the droplets also contain nanoparticles or any other non-volatile solute, then the droplets can become thermodynamically stable. We show that the equilibrium droplet size depends strongly on the amount and solubility of the nanoparticles within, i.e., on the nature of the particle interactions with the liquid and, of course, also on the vapor temperature and chemical potential. We develop a simple thermodynamic model for such droplets and compare predictions with results from a lattice density functional theory that takes as input the same particle interaction properties, finding very good agreement. We also use dynamical density functional theory to study the evaporation/condensation dynamics of liquid from/to droplets as they equilibrate with the vapor, thereby demonstrating droplet stability.</description><subject>Aerosols</subject><subject>Chemical potential</subject><subject>Density functional theory</subject><subject>Droplets</subject><subject>Evaporation</subject><subject>Nanoparticles</subject><subject>Particle interactions</subject><subject>Physics</subject><subject>Stability</subject><subject>Thermodynamic equilibrium</subject><subject>Thermodynamic models</subject><subject>Thermodynamics</subject><subject>Vapor phases</subject><issn>0021-9606</issn><issn>1089-7690</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNp90L1OwzAUBWALgUQpDLxBJBZASrnXdpx4RBV_UiUGYI4cx5FcuXFqO0PfnlTpxMB0lk9H9x5CbhFWCII9FSvAkiIrz8gCoZJ5KSSckwUAxVwKEJfkKsYtwJHxBSm_kmqss-mQ-S7rVe8HFZLVzmROtabPlAk-epc5ux9tm7XBD86keE0uOuWiuTnlkvy8vnyv3_PN59vH-nmTayYg5aISinKF2AqgqmGlKFAVmkJLWQMVpQ0UHeqiZariErUpGoMNbyopS5QU2JLcz71D8PvRxFTvbNTGOdUbP8aaVpNCoLyc6N0fuvVj6KfrjopJzpFWk3qYlZ7-isF09RDsToVDjVAfJ6yL-jThZB9nG7VNKlnf_4N_ARBHbf8</recordid><startdate>20231121</startdate><enddate>20231121</enddate><creator>Archer, A. J.</creator><creator>Goddard, B. D.</creator><creator>Roth, R.</creator><general>American Institute of Physics</general><scope>AJDQP</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0001-6271-7646</orcidid><orcidid>https://orcid.org/0000-0002-8781-014X</orcidid><orcidid>https://orcid.org/0000-0002-4706-2204</orcidid></search><sort><creationdate>20231121</creationdate><title>Stability of nanoparticle laden aerosol liquid droplets</title><author>Archer, A. J. ; Goddard, B. D. ; Roth, R.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c360t-686a24a11d602ab37651a5c20d23b0822b05f1c5d3a8491ce5be1b4b899719203</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Aerosols</topic><topic>Chemical potential</topic><topic>Density functional theory</topic><topic>Droplets</topic><topic>Evaporation</topic><topic>Nanoparticles</topic><topic>Particle interactions</topic><topic>Physics</topic><topic>Stability</topic><topic>Thermodynamic equilibrium</topic><topic>Thermodynamic models</topic><topic>Thermodynamics</topic><topic>Vapor phases</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Archer, A. J.</creatorcontrib><creatorcontrib>Goddard, B. D.</creatorcontrib><creatorcontrib>Roth, R.</creatorcontrib><collection>AIP Open Access Journals</collection><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>The Journal of chemical physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Archer, A. J.</au><au>Goddard, B. D.</au><au>Roth, R.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Stability of nanoparticle laden aerosol liquid droplets</atitle><jtitle>The Journal of chemical physics</jtitle><date>2023-11-21</date><risdate>2023</risdate><volume>159</volume><issue>19</issue><issn>0021-9606</issn><eissn>1089-7690</eissn><coden>JCPSA6</coden><abstract>We develop a model for the thermodynamics and evaporation dynamics of aerosol droplets of a liquid, such as water, surrounded by gas. When the temperature and the chemical potential (or equivalently the humidity) are such that the vapor phase is in the thermodynamic equilibrium state, then, of course, droplets of the pure liquid evaporate over a relatively short time. However, if the droplets also contain nanoparticles or any other non-volatile solute, then the droplets can become thermodynamically stable. We show that the equilibrium droplet size depends strongly on the amount and solubility of the nanoparticles within, i.e., on the nature of the particle interactions with the liquid and, of course, also on the vapor temperature and chemical potential. We develop a simple thermodynamic model for such droplets and compare predictions with results from a lattice density functional theory that takes as input the same particle interaction properties, finding very good agreement. We also use dynamical density functional theory to study the evaporation/condensation dynamics of liquid from/to droplets as they equilibrate with the vapor, thereby demonstrating droplet stability.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/5.0172137</doi><tpages>14</tpages><orcidid>https://orcid.org/0000-0001-6271-7646</orcidid><orcidid>https://orcid.org/0000-0002-8781-014X</orcidid><orcidid>https://orcid.org/0000-0002-4706-2204</orcidid><oa>free_for_read</oa></addata></record> |
fulltext | fulltext |
identifier | ISSN: 0021-9606 |
ispartof | The Journal of chemical physics, 2023-11, Vol.159 (19) |
issn | 0021-9606 1089-7690 |
language | eng |
recordid | cdi_scitation_primary_10_1063_5_0172137 |
source | AIP Journals Complete; Alma/SFX Local Collection |
subjects | Aerosols Chemical potential Density functional theory Droplets Evaporation Nanoparticles Particle interactions Physics Stability Thermodynamic equilibrium Thermodynamic models Thermodynamics Vapor phases |
title | Stability of nanoparticle laden aerosol liquid droplets |
url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-05T17%3A22%3A37IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_scita&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Stability%20of%20nanoparticle%20laden%20aerosol%20liquid%20droplets&rft.jtitle=The%20Journal%20of%20chemical%20physics&rft.au=Archer,%20A.%20J.&rft.date=2023-11-21&rft.volume=159&rft.issue=19&rft.issn=0021-9606&rft.eissn=1089-7690&rft.coden=JCPSA6&rft_id=info:doi/10.1063/5.0172137&rft_dat=%3Cproquest_scita%3E2892010247%3C/proquest_scita%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2893944128&rft_id=info:pmid/&rfr_iscdi=true |