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Gibbs ensemble Monte Carlo simulations are used to describe the adsorption. The permanent chemical reaction between N2O4 and NO2, which occurs simultaneously to adsorption, is treated by the reactive Monte Carlo simulation. A very high selectivity has been found. For a low pressure and at T = 298 K, an adsorption\/reaction selectivity between NOx and N2 can reach values up to 3 \u00d7 103.<\/jats:p>","DOI":"10.1021\/acsomega.1c01459","type":"journal-article","created":{"date-parts":[[2021,6,29]],"date-time":"2021-06-29T13:15:02Z","timestamp":1624972502000},"page":"17342-17352","source":"Crossref","is-referenced-by-count":10,"title":["Adsorption and the Chemical Reaction N2O4 \u2194 2NO2 in the Presence of N2 in a Gas Phase Connected with a Carbon Nanotube"],"prefix":"10.1021","volume":"6","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3783-5883","authenticated-orcid":true,"given":"Somphob","family":"Thompho","sequence":"first","affiliation":[{"name":"Chulalongkorn University , , , ,","place":["Pathum Wan, Bangkok, Thailand, 10330"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Siegfried","family":"Fritzsche","sequence":"additional","affiliation":[{"name":"Leipzig University , , ,","place":["Leipzig, Germany, 04081"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7679-376X","authenticated-orcid":true,"given":"Tatiya","family":"Chokbunpiam","sequence":"additional","affiliation":[{"name":"Ramkhamhaeng University , , ,","place":["Bangkok, Thailand, 10240"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7169-4482","authenticated-orcid":true,"given":"Tawun","family":"Remsungnen","sequence":"additional","affiliation":[{"name":"Khon Kaen University , , ,","place":["Nong Khai, Thailand, 43000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5165-9097","authenticated-orcid":true,"given":"Wolfhard","family":"Janke","sequence":"additional","affiliation":[{"name":"Leipzig University , , ,","place":["Leipzig, Germany, 04081"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Supot","family":"Hannongbua","sequence":"additional","affiliation":[{"name":"Chulalongkorn University , , ,","place":["Bangkok, Thailand, 10330"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2021,6,29]]},"reference":[{"key":"2026081711242885600_cit1","doi-asserted-by":"publisher","first-page":"249","DOI":"10.1097\/MAJ.0b013e31803b900f","article-title":"Outdoor Air Pollution:\nNitrogen Dioxide, Sulfur Dioxide, and Carbon Monoxide Health Effects","volume":"333","author":"Chen","year":"2007","journal-title":"Am. 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