Brântuas, PedroHenrique, AdrianoRodrigues, AlírioSilva, José A.C.2020-02-212020-02-212019Brântuas, Pedro; Henrique, Adriano; Rodrigues, A.E.; Silva, José A.C. (2019). Fixed bed dynamics of multicomponent adsorption of pentane and hexane isomers in ZIF-8. In XXV Encontro Galego-Português de Química. Santiago de Compostela. ISBN 978-84-09-16320-5978-84-09-16320-5http://hdl.handle.net/10198/20659The separation of hydrocarbon mixtures is one of the most important topics in the petrochemical industry, including the separation of paraffins isomers in the C5/C6 range for the octane upgrading of gasoline. These processes separate low Research Octane Number (RON) linear paraffins, n-hexane (nC6) and n-pentane (nC5), from their respective branched isomers with higher RON content: 3-methylpentane (3MP), 2-methylpentane (2MP), iso-pentane (iC5), 2,3-dimethylbutane (23DMB) and 2,2-dimethylbutane (22DMB). In this context, metal organic frameworks (MOFs) have been studied for this process [1]. Due to their chemical and thermal stability, Zeolite Imidazolate Frameworks are of interest, specially ZIF-8 [2]. Septenary fixed bed breakthrough experiments of pentane and hexane isomers were performed with ZIF-8. The equimolar septenary studies were performed between 373 – 473 K and at a total hydrocarbon pressure of 25 kPa resulting in the following sorption hierarchy: nC6 > nC5 > 2MP > 3MP > iC5 > 23DMB > 22DMB as can be seen in Fig. 1 for the breakthrough experiment at 423 K. Results also show that the sorption of the linear nC5 and nC6 is equilibrium based in contrast with the sorption of branched isomers which is kinetically controlled. The equilibrium data were modelled by the Sips isotherm and the fitted parameters were used to simulate the breakthrough data through a mathematical model developed in a Matlab code using the method of lines (MOL).engSorptionAdsorptionDiffusionMetal organic frameworksconference object