Vapor pressures and thermodynamics of oxygen-containing polycyclic aromatic hydrocarbons measured using knudsen effusion
Polycyclic aromatic hydrocarbons (PAHs) and their oxygenated derivatives (OPAHs) are ubiquitous environmental pollutants resulting from the incomplete combustion of coal and fossil fuels. Their vapor pressures are key thermodynamic data essential for modeling fate and transport within the environmen...
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| Veröffentlicht in: | Environmental toxicology and chemistry 2008-06, Vol.27 (6), p.1244-1249 |
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| creator | Goldfarb, Jillian L. Suuberg, Eric M. |
| description | Polycyclic aromatic hydrocarbons (PAHs) and their oxygenated derivatives (OPAHs) are ubiquitous environmental pollutants resulting from the incomplete combustion of coal and fossil fuels. Their vapor pressures are key thermodynamic data essential for modeling fate and transport within the environment. The present study involved nine PAHs containing oxygen heteroatoms, including aldehyde, carboxyl, and nitro groups, specifically 2‐nitrofluorene, 9‐fluorenecarboxylic acid, 2‐fluorenecarboxaldehyde, 2‐anthracenecarboxylic acid, 9‐anthracenecarboxylic acid, 9‐anthraldehyde, 1‐nitropyrene, 1‐pyrenecarboxaldehyde, and 1‐bromo‐2‐naphthoic acid. The vapor pressures of these compounds, with molecular weights ranging from 194 to 251 g/mol, were measured using the isothermal Knudsen effusion technique in the temperature range of 329 to 421 K. The corresponding enthalpies of sublimation, calculated via the Clausius‐Clapeyron equation, are compared to parent, nonoxygenated PAH compound data to determine the effect of the addition of these oxygen‐containing heteroatoms. As expected, the addition of –CHO, –COOH, and –NO2 groups onto these PAHs increases the enthalpy of sublimation and decreases the vapor pressure as compared to the parent PAH; the position of substitution also plays a significant role in determining the vapor pressure of these OPAHs. |
| doi_str_mv | 10.1897/07-486.1 |
| format | Article |
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Their vapor pressures are key thermodynamic data essential for modeling fate and transport within the environment. The present study involved nine PAHs containing oxygen heteroatoms, including aldehyde, carboxyl, and nitro groups, specifically 2‐nitrofluorene, 9‐fluorenecarboxylic acid, 2‐fluorenecarboxaldehyde, 2‐anthracenecarboxylic acid, 9‐anthracenecarboxylic acid, 9‐anthraldehyde, 1‐nitropyrene, 1‐pyrenecarboxaldehyde, and 1‐bromo‐2‐naphthoic acid. The vapor pressures of these compounds, with molecular weights ranging from 194 to 251 g/mol, were measured using the isothermal Knudsen effusion technique in the temperature range of 329 to 421 K. The corresponding enthalpies of sublimation, calculated via the Clausius‐Clapeyron equation, are compared to parent, nonoxygenated PAH compound data to determine the effect of the addition of these oxygen‐containing heteroatoms. As expected, the addition of –CHO, –COOH, and –NO2 groups onto these PAHs increases the enthalpy of sublimation and decreases the vapor pressure as compared to the parent PAH; the position of substitution also plays a significant role in determining the vapor pressure of these OPAHs.</description><identifier>ISSN: 0730-7268</identifier><identifier>EISSN: 1552-8618</identifier><identifier>DOI: 10.1897/07-486.1</identifier><language>eng</language><publisher>Hoboken: Wiley Periodicals, Inc</publisher><subject>01 COAL, LIGNITE, AND PEAT ; ENTHALPY ; Environmental health ; Fossil fuels ; Heat transfer ; Knudsen effusion ; KNUDSEN FLOW ; Molecular weight ; ORGANIC OXYGEN COMPOUNDS ; Oxygen ; Oxygenated polycyclic aromatic hydrocarbons ; POLYCYCLIC AROMATIC HYDROCARBONS ; Pressure measurement ; Studies ; SUBLIMATION ; Sublimation enthalpy ; Temperature ; THERMODYNAMIC PROPERTIES ; THERMODYNAMICS ; VAPOR PRESSURE</subject><ispartof>Environmental toxicology and chemistry, 2008-06, Vol.27 (6), p.1244-1249</ispartof><rights>Copyright © 2008 SETAC</rights><rights>Copyright Alliance Communications Group, A Division of Allen Press, Inc. Jun 2008</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c5573-641174d829d3486b01bed1e7be910ccdf1dbbb2b6996baf871b5a9c05db0d3453</citedby><cites>FETCH-LOGICAL-c5573-641174d829d3486b01bed1e7be910ccdf1dbbb2b6996baf871b5a9c05db0d3453</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1897%2F07-486.1$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1897%2F07-486.1$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>230,314,776,780,881,1411,27903,27904,45553,45554</link.rule.ids><backlink>$$Uhttps://www.osti.gov/biblio/21059026$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Goldfarb, Jillian L.</creatorcontrib><creatorcontrib>Suuberg, Eric M.</creatorcontrib><title>Vapor pressures and thermodynamics of oxygen-containing polycyclic aromatic hydrocarbons measured using knudsen effusion</title><title>Environmental toxicology and chemistry</title><addtitle>Environmental Toxicology and Chemistry</addtitle><description>Polycyclic aromatic hydrocarbons (PAHs) and their oxygenated derivatives (OPAHs) are ubiquitous environmental pollutants resulting from the incomplete combustion of coal and fossil fuels. Their vapor pressures are key thermodynamic data essential for modeling fate and transport within the environment. The present study involved nine PAHs containing oxygen heteroatoms, including aldehyde, carboxyl, and nitro groups, specifically 2‐nitrofluorene, 9‐fluorenecarboxylic acid, 2‐fluorenecarboxaldehyde, 2‐anthracenecarboxylic acid, 9‐anthracenecarboxylic acid, 9‐anthraldehyde, 1‐nitropyrene, 1‐pyrenecarboxaldehyde, and 1‐bromo‐2‐naphthoic acid. The vapor pressures of these compounds, with molecular weights ranging from 194 to 251 g/mol, were measured using the isothermal Knudsen effusion technique in the temperature range of 329 to 421 K. The corresponding enthalpies of sublimation, calculated via the Clausius‐Clapeyron equation, are compared to parent, nonoxygenated PAH compound data to determine the effect of the addition of these oxygen‐containing heteroatoms. As expected, the addition of –CHO, –COOH, and –NO2 groups onto these PAHs increases the enthalpy of sublimation and decreases the vapor pressure as compared to the parent PAH; the position of substitution also plays a significant role in determining the vapor pressure of these OPAHs.</description><subject>01 COAL, LIGNITE, AND PEAT</subject><subject>ENTHALPY</subject><subject>Environmental health</subject><subject>Fossil fuels</subject><subject>Heat transfer</subject><subject>Knudsen effusion</subject><subject>KNUDSEN FLOW</subject><subject>Molecular weight</subject><subject>ORGANIC OXYGEN COMPOUNDS</subject><subject>Oxygen</subject><subject>Oxygenated polycyclic aromatic hydrocarbons</subject><subject>POLYCYCLIC AROMATIC HYDROCARBONS</subject><subject>Pressure measurement</subject><subject>Studies</subject><subject>SUBLIMATION</subject><subject>Sublimation enthalpy</subject><subject>Temperature</subject><subject>THERMODYNAMIC 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and chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Goldfarb, Jillian L.</au><au>Suuberg, Eric M.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Vapor pressures and thermodynamics of oxygen-containing polycyclic aromatic hydrocarbons measured using knudsen effusion</atitle><jtitle>Environmental toxicology and chemistry</jtitle><addtitle>Environmental Toxicology and Chemistry</addtitle><date>2008-06</date><risdate>2008</risdate><volume>27</volume><issue>6</issue><spage>1244</spage><epage>1249</epage><pages>1244-1249</pages><issn>0730-7268</issn><eissn>1552-8618</eissn><abstract>Polycyclic aromatic hydrocarbons (PAHs) and their oxygenated derivatives (OPAHs) are ubiquitous environmental pollutants resulting from the incomplete combustion of coal and fossil fuels. Their vapor pressures are key thermodynamic data essential for modeling fate and transport within the environment. The present study involved nine PAHs containing oxygen heteroatoms, including aldehyde, carboxyl, and nitro groups, specifically 2‐nitrofluorene, 9‐fluorenecarboxylic acid, 2‐fluorenecarboxaldehyde, 2‐anthracenecarboxylic acid, 9‐anthracenecarboxylic acid, 9‐anthraldehyde, 1‐nitropyrene, 1‐pyrenecarboxaldehyde, and 1‐bromo‐2‐naphthoic acid. The vapor pressures of these compounds, with molecular weights ranging from 194 to 251 g/mol, were measured using the isothermal Knudsen effusion technique in the temperature range of 329 to 421 K. The corresponding enthalpies of sublimation, calculated via the Clausius‐Clapeyron equation, are compared to parent, nonoxygenated PAH compound data to determine the effect of the addition of these oxygen‐containing heteroatoms. As expected, the addition of –CHO, –COOH, and –NO2 groups onto these PAHs increases the enthalpy of sublimation and decreases the vapor pressure as compared to the parent PAH; the position of substitution also plays a significant role in determining the vapor pressure of these OPAHs.</abstract><cop>Hoboken</cop><pub>Wiley Periodicals, Inc</pub><doi>10.1897/07-486.1</doi><tpages>6</tpages><oa>free_for_read</oa></addata></record> |
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| ispartof | Environmental toxicology and chemistry, 2008-06, Vol.27 (6), p.1244-1249 |
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| source | Wiley Online Library Journals Frontfile Complete |
| subjects | 01 COAL, LIGNITE, AND PEAT ENTHALPY Environmental health Fossil fuels Heat transfer Knudsen effusion KNUDSEN FLOW Molecular weight ORGANIC OXYGEN COMPOUNDS Oxygen Oxygenated polycyclic aromatic hydrocarbons POLYCYCLIC AROMATIC HYDROCARBONS Pressure measurement Studies SUBLIMATION Sublimation enthalpy Temperature THERMODYNAMIC PROPERTIES THERMODYNAMICS VAPOR PRESSURE |
| title | Vapor pressures and thermodynamics of oxygen-containing polycyclic aromatic hydrocarbons measured using knudsen effusion |
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