Effect of the range of interactions on the properties of fluids. 2. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acid.
Identifieur interne : 002F13 ( Main/Exploration ); précédent : 002F12; suivant : 002F14Effect of the range of interactions on the properties of fluids. 2. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acid.
Auteurs : Ariel A. Chialvo [États-Unis] ; Matthias Kettler ; Ivo NezbedaSource :
- The journal of physical chemistry. B [ 1520-6106 ] ; 2005.
Abstract
To complete the study on the effect of the long-range part of Coulombic interactions on properties of complex polar and associating fluids, we have investigated in detail three compounds with extreme features: acetonitrile for its unusually large dipole moment, hydrogen fluoride with very strong hydrogen bonding, and formic acid for its potential formation of different n-mers in liquid and gaseous phases. The effect of the long-range Coulombic interactions on both the structure and thermodynamics of the homogeneous phase, and on the vapor-liquid equilibria has been examined using the same decomposition of realistic potential models into a short-range part and a residual part as in the previous paper [Kettler, M.; et al. J. Phys. Chem. B 2002, 106, 7537-7546]. The present results fully confirm the previous findings that the properties of polar and associating systems are determined primarily by the short-range interactions regardless of their nature, i.e., contributions arising from the long-range interactions constitute only a small portion of the total properties, and thus that the short-range potential counterpart of full realistic models can be used as a convenient reference for a successful perturbation expansion.
DOI: 10.1021/jp050922u
PubMed: 16852173
Affiliations:
Links toward previous steps (curation, corpus...)
- to stream PubMed, to step Corpus: 002239
- to stream PubMed, to step Curation: 002239
- to stream PubMed, to step Checkpoint: 002212
- to stream Ncbi, to step Merge: 000451
- to stream Ncbi, to step Curation: 000451
- to stream Ncbi, to step Checkpoint: 000451
- to stream Main, to step Merge: 002F44
- to stream Main, to step Curation: 002F13
Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Effect of the range of interactions on the properties of fluids. 2. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acid.</title><author><name sortKey="Chialvo, Ariel A" sort="Chialvo, Ariel A" uniqKey="Chialvo A" first="Ariel A" last="Chialvo">Ariel A. Chialvo</name><affiliation wicri:level="1"><nlm:affiliation>Chemical Sciences Division, Aqueous Chemistry and Geochemistry Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110, USA. chialvoaa@ornl.gov</nlm:affiliation><country xml:lang="fr">États-Unis</country><wicri:regionArea>Chemical Sciences Division, Aqueous Chemistry and Geochemistry Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110</wicri:regionArea><wicri:noRegion>Tennessee 37831-6110</wicri:noRegion></affiliation></author><author><name sortKey="Kettler, Matthias" sort="Kettler, Matthias" uniqKey="Kettler M" first="Matthias" last="Kettler">Matthias Kettler</name></author><author><name sortKey="Nezbeda, Ivo" sort="Nezbeda, Ivo" uniqKey="Nezbeda I" first="Ivo" last="Nezbeda">Ivo Nezbeda</name></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2005">2005</date><idno type="RBID">pubmed:16852173</idno><idno type="pmid">16852173</idno><idno type="doi">10.1021/jp050922u</idno><idno type="wicri:Area/PubMed/Corpus">002239</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">002239</idno><idno type="wicri:Area/PubMed/Curation">002239</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">002239</idno><idno type="wicri:Area/PubMed/Checkpoint">002212</idno><idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">002212</idno><idno type="wicri:Area/Ncbi/Merge">000451</idno><idno type="wicri:Area/Ncbi/Curation">000451</idno><idno type="wicri:Area/Ncbi/Checkpoint">000451</idno><idno type="wicri:doubleKey">1520-6106:2005:Chialvo A:effect:of:the</idno><idno type="wicri:Area/Main/Merge">002F44</idno><idno type="wicri:Area/Main/Curation">002F13</idno><idno type="wicri:Area/Main/Exploration">002F13</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Effect of the range of interactions on the properties of fluids. 2. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acid.</title><author><name sortKey="Chialvo, Ariel A" sort="Chialvo, Ariel A" uniqKey="Chialvo A" first="Ariel A" last="Chialvo">Ariel A. Chialvo</name><affiliation wicri:level="1"><nlm:affiliation>Chemical Sciences Division, Aqueous Chemistry and Geochemistry Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110, USA. chialvoaa@ornl.gov</nlm:affiliation><country xml:lang="fr">États-Unis</country><wicri:regionArea>Chemical Sciences Division, Aqueous Chemistry and Geochemistry Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110</wicri:regionArea><wicri:noRegion>Tennessee 37831-6110</wicri:noRegion></affiliation></author><author><name sortKey="Kettler, Matthias" sort="Kettler, Matthias" uniqKey="Kettler M" first="Matthias" last="Kettler">Matthias Kettler</name></author><author><name sortKey="Nezbeda, Ivo" sort="Nezbeda, Ivo" uniqKey="Nezbeda I" first="Ivo" last="Nezbeda">Ivo Nezbeda</name></author></analytic><series><title level="j">The journal of physical chemistry. B</title><idno type="ISSN">1520-6106</idno><imprint><date when="2005" type="published">2005</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">To complete the study on the effect of the long-range part of Coulombic interactions on properties of complex polar and associating fluids, we have investigated in detail three compounds with extreme features: acetonitrile for its unusually large dipole moment, hydrogen fluoride with very strong hydrogen bonding, and formic acid for its potential formation of different n-mers in liquid and gaseous phases. The effect of the long-range Coulombic interactions on both the structure and thermodynamics of the homogeneous phase, and on the vapor-liquid equilibria has been examined using the same decomposition of realistic potential models into a short-range part and a residual part as in the previous paper [Kettler, M.; et al. J. Phys. Chem. B 2002, 106, 7537-7546]. The present results fully confirm the previous findings that the properties of polar and associating systems are determined primarily by the short-range interactions regardless of their nature, i.e., contributions arising from the long-range interactions constitute only a small portion of the total properties, and thus that the short-range potential counterpart of full realistic models can be used as a convenient reference for a successful perturbation expansion.</div></front></TEI><affiliations><list><country><li>États-Unis</li></country></list><tree><noCountry><name sortKey="Kettler, Matthias" sort="Kettler, Matthias" uniqKey="Kettler M" first="Matthias" last="Kettler">Matthias Kettler</name><name sortKey="Nezbeda, Ivo" sort="Nezbeda, Ivo" uniqKey="Nezbeda I" first="Ivo" last="Nezbeda">Ivo Nezbeda</name></noCountry><country name="États-Unis"><noRegion><name sortKey="Chialvo, Ariel A" sort="Chialvo, Ariel A" uniqKey="Chialvo A" first="Ariel A" last="Chialvo">Ariel A. Chialvo</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Sante/explor/MersV1/Data/Main/Exploration
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 002F13 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 002F13 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien
|wiki= Sante
|area= MersV1
|flux= Main
|étape= Exploration
|type= RBID
|clé= pubmed:16852173
|texte= Effect of the range of interactions on the properties of fluids. 2. Structure and phase behavior of acetonitrile, hydrogen fluoride, and formic acid.
}}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/Main/Exploration/RBID.i -Sk "pubmed:16852173" \
| HfdSelect -Kh $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd \
| NlmPubMed2Wicri -a MersV1
| This area was generated with Dilib version V0.6.33. |  |