Center for Molecular Modeling - S. Heylen https://molmod.ugent.be/publication-authors/s-heylen en Entropy-Driven Chemisorption of NOx on Phosphotungstic Acid https://molmod.ugent.be/publications/entropy-driven-chemisorption-nox-phosphotungstic-acid <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> S. Heylen, L. Joos, V. Van Speybroeck, C. Kirschhock, J.A. Martens </span> </div> <div class="field field-name-field-journal-title field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> Angewandte Chemie int. Ed. </span> </div> <div class="field field-name-field-vol-iss field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">51 (44), 11010-11013</div> </div> </div> <div class="field field-name-field-a1year field-type-datestamp field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2012-01-01T00:00:00+01:00">2012</span></div> </div> </div> <div class="field field-name-field-a1-type field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">A1</div> </div> </div> <div class="field field-name-field-not-a-cmm-publication field-type-list-boolean field-label-hidden"> <div class="field-items"> <div class="field-item even"></div> </div> </div> <div class="field field-name-body field-type-text-with-summary field-label-above"> <h3><div class="field-label">Abstract&nbsp;</div></h3> <div class="field-items"> <div class="field-item even" property="content:encoded"><div class="tex2jax"><p>Nitrogen oxides, NOx, are formed in combustion engines. They contribute to acid rain and the formation of ozone and are hazardous for men and environment. In this article, a process was investigated that can 'capture' the NOx from the exhaust gases using heteropoly acids and can later release them for processing. One of the main conclusions is that the mobility of the captured and released molecules is the key to control the reaction. This can now be used to optimize and commercialize the technology. </p> <p>Stikstofoxiden, aangeduid als NOx, worden gevormd in verbrandingsmotoren. Ze dragen bij tot zure regen, de vorming van ozon en zijn dus schadelijk voor mens en milieu. In dit artikel werd een proces onderzocht dat de NOx kan ‘vangen’ uit de uitlaatgassen aan de hand van heteropolyzuren en later terug kan vrijgeven voor verdere verwerking. Een van de belangrijkste vaststellingen is dat de mobiliteit van de opgeslagen en vrijgegeven moleculen de sleutel is voor het controleren van het proces. De conclusies van het onderzoek kunnen nu verder gebruikt worden voor de optimalisering en commercialisering van het proces.</p> <p><a href="http://www.ugent.be/nl/actueel/nieuws/persberichten/stikstofoxide-nox-verbrandingsmotor.htm/?searchterm=NOx">http://www.ugent.be/nl/actueel/nieuws/persberichten/stikstofoxide-nox-ve...</a></p> <p>NOx adsorption on Phosphotungstic acid is entropy-driven due to the watermolecules that are released.</p> <p><img src="https://dl.dropbox.com/u/16792168/CMMwebsite/HPW.jpg" width="50%" /></p> </div></div> </div> </div> <div class="field field-name-field-open-access field-type-list-boolean field-label-hidden"> <div class="field-items"> <div class="field-item even"></div> </div> </div> <div class="field field-name-field-doi field-type-text field-label-above"> <h3><div class="field-label">DOI&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><div class="tex2jax"><p><a href="http://dx.doi.org/10.1002/ange.201205636">http://dx.doi.org/10.1002/ange.201205636</a></p> </div></div> </div> </div> <div class="field field-name-field-a1-file field-type-file field-label-above"> <h3><div class="field-label">Private attachment&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/12%20angewandte%20chem%2051%2844%2911010%20Heylen.pdf" type="application/pdf; length=757754">12 angewandte chem 51(44)11010 Heylen.pdf</a></span></div> </div> </div> Fri, 17 Aug 2012 06:49:36 +0000 michel 1404 at https://molmod.ugent.be https://molmod.ugent.be/publications/entropy-driven-chemisorption-nox-phosphotungstic-acid#comments Entropy-driven chemisorption of NOx on phosphotungstic acid https://molmod.ugent.be/c1_c3_publications/entropy-driven-chemisorption-nox-phosphotungstic-acid <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/l-joos" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">L. Joos</a>, <a href="/publication-authors/s-heylen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Heylen</a>, <a href="/publication-authors/t-parac-vogt" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Parac-Vogt</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a>, <a href="/publication-authors/c-kirschhock" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">C. Kirschhock</a>, <a href="/publication-authors/ja-martens" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J.A. Martens</a> </span> </div> <div class="field field-name-field-isbn-issn field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">ISBN/ISSN:</div> </div> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Talk</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">ACS Fall 2014</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">San Francisco, USA</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-range"><span class="date-display-start" property="dc:date" datatype="xsd:dateTime" content="2014-08-10T00:00:00+02:00">Sunday, 10 August, 2014</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2014-08-14T00:00:00+02:00">Thursday, 14 August, 2014</span></span></div> </div> </div> Mon, 30 Jun 2014 19:06:13 +0000 lennart 3085 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/entropy-driven-chemisorption-nox-phosphotungstic-acid#comments The superacid that can keep our air superclean https://molmod.ugent.be/c1_c3_publications/superacid-can-keep-our-air-superclean <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/l-joos" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">L. Joos</a>, <a href="/publication-authors/s-heylen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Heylen</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a>, <a href="/publication-authors/c-kirschhock" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">C. Kirschhock</a>, <a href="/publication-authors/ja-martens" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J.A. Martens</a> </span> </div> <div class="field field-name-field-isbn-issn field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">ISBN/ISSN:</div> </div> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Talk</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">TEDxGhent</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Gent</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-single" property="dc:date" datatype="xsd:dateTime" content="2013-06-22T00:00:00+02:00">Saturday, 22 June, 2013</span></div> </div> </div> Wed, 12 Jun 2013 19:15:54 +0000 lennart 2411 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/superacid-can-keep-our-air-superclean#comments Mechanism of NOx Chemisorption on Solid Phosphotungstic Acid https://molmod.ugent.be/c1_c3_publications/mechanism-nox-chemisorption-solid-phosphotungstic-acid <div class="field field-name-field-a1-authors field-type-taxonomy-term-reference field-label-hidden"> <span class="field-items"> <a href="/publication-authors/s-heylen" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">S. Heylen</a>, <a href="/publication-authors/l-joos" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">L. Joos</a>, <a href="/publication-authors/v-van-speybroeck" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">V. Van Speybroeck</a>, <a href="/publication-authors/c-kirschhock" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">C. Kirschhock</a>, <a href="/publication-authors/t-parac-vogt" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">T. Parac-Vogt</a>, <a href="/publication-authors/ja-martens" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">J.A. Martens</a> </span> </div> <div class="field field-name-field-abstract-page field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">p. --</div> </div> </div> <div class="field field-name-field-poster-or-talk field-type-list-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Poster</div> </div> </div> <div class="field field-name-field-conference-name field-type-text field-label-above"> <h3><div class="field-label">Conference / event / venue&nbsp;</div></h3> <div class="field-items"> <div class="field-item even">(presenting author: L. Joos), SMARTER 3 Conference</div> </div> </div> <div class="field field-name-field-conference-location field-type-text field-label-hidden"> <div class="field-items"> <div class="field-item even">Versailles, France</div> </div> </div> <div class="field field-name-field-conference-dates field-type-date field-label-hidden"> <div class="field-items"> <div class="field-item even"><span class="date-display-range"><span class="date-display-start" property="dc:date" datatype="xsd:dateTime" content="2012-09-10T00:00:00+02:00">Monday, 10 September, 2012</span> to <span class="date-display-end" property="dc:date" datatype="xsd:dateTime" content="2012-09-13T00:00:00+02:00">Thursday, 13 September, 2012</span></span></div> </div> </div> <div class="field field-name-field-abstract-private field-type-file field-label-above"> <h3><div class="field-label">Abstract (private)&nbsp;</div></h3> <div class="field-items"> <div class="field-item even"><span class="file"><img class="file-icon" alt="PDF icon" title="application/pdf" src="/modules/file/icons/application-pdf.png" /> <a href="https://molmod.ugent.be/system/files/2012%20Smarter3%20Joos_Lennart.pdf" type="application/pdf; length=489810">2012 Smarter3 Joos_Lennart.pdf</a></span></div> </div> </div> <div class="field field-name-field-conference-reference field-type-taxonomy-term-reference field-label-above"> <h3 class="field-label">Conference reference</h3> <span class="field-items"> <a href="/conferences/smarter-3" typeof="skos:Concept" property="rdfs:label skos:prefLabel" datatype="">SMARTER 3</a> </span> </div> Mon, 03 Sep 2012 14:00:45 +0000 wim 1444 at https://molmod.ugent.be https://molmod.ugent.be/c1_c3_publications/mechanism-nox-chemisorption-solid-phosphotungstic-acid#comments