Modeling the thermal destruction of toluene (C7H8) as tar-related species for fuel gas cleanup

Taralas, G; Kontominas, MG; Kakatsios, X

dc.contributor.author	Taralas, G	en
dc.contributor.author	Kontominas, MG	en
dc.contributor.author	Kakatsios, X	en
dc.date.accessioned	2014-03-01T01:53:00Z
dc.date.available	2014-03-01T01:53:00Z
dc.date.issued	2003	en
dc.identifier.issn	08870624	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/26817
dc.subject.other	Activation energy	en
dc.subject.other	Chemical reactors	en
dc.subject.other	Cleaning	en
dc.subject.other	Free radical reactions	en
dc.subject.other	Gas fuels	en
dc.subject.other	Mathematical models	en
dc.subject.other	Molecules	en
dc.subject.other	Oxygen	en
dc.subject.other	Pyrolysis	en
dc.subject.other	Tar	en
dc.subject.other	Vaporization	en
dc.subject.other	Volatile organic compounds	en
dc.subject.other	Chemical reaction network	en
dc.subject.other	Free radical mechanism	en
dc.subject.other	Fuel gas cleanup	en
dc.subject.other	Residence time	en
dc.subject.other	Thermal destruction	en
dc.subject.other	Thermochemical conversion	en
dc.subject.other	Toluene	en
dc.title	Modeling the thermal destruction of toluene (C7H8) as tar-related species for fuel gas cleanup	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/ef0201533	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ef0201533	en
heal.publicationDate	2003	en
heal.abstract	Thermal destruction of vaporized toluene in the presence of a [N2 + H2O + O2] in air and [N2 + H2 + H2O] gas mixtures are examined. Toluene (P[C7H8] = 0.93-1.85 kPa) is used as model species present in tar-related volatile organic compounds from advanced thermochemical conversion technologies. Experiments were performed in a nonisothermal tubular flow reactor at a total pressure of ca. 101.3 kPa, temperature range of 973-1223 K. In presence of oxygen-containing molecules (molar ratios of [H2O + O2]/C7H8 were varied between 1.78 and 3.52), a first-order reaction rate could express the effects of temperature and residence time. Thermal destruction of toluene in [N2 + H2 + H2O] gas mixture ([H2 + H2O]/C7H8 = 3.52, and 0.40 < τ < 0.90 s) was studied as reference. Activation energies of the thermal destruction of toluene are: 356 ± 5 kJ mol-1 in [N2 + H2O + O2] atmosphere and 250 ± 10 kJ mol-1 in [N2 + H2 + H2O] gas mixture. A chemical reaction network and a free-radical mechanism have been suggested to explain the products concentration distribution. The free-radical mechanism has been used to interpret the experimental trends at gas residence times (τ < 5 s).	en
heal.journalName	Energy and Fuels	en
dc.identifier.doi	10.1021/ef0201533	en
dc.identifier.volume	17	en
dc.identifier.issue	2	en
dc.identifier.spage	329	en
dc.identifier.epage	337	en