Molecular Simulation of the Adsorption of Cold Start Hydrocarbons Emission from Diesel Engines in Zeolite

Abstract:

A better understanding of the adsorption behaviors of hydrocarbons on adsorbent would help trap the hydrocarbons emitted from diesel engines during cold start period more efficiently. In this paper, the adsorption behaviors of hydrocarbons in LTA zeolite was studied using Grand Canonical Monte Carlo (GCMC) simulation. The adsorption isotherms and mass clouds are obtained for both pure component and binary mixtures under certain temperatures. The adsorption isotherms reveal that the average loading of ethylene and propylene has the similar trend. Both of them increase with the increase of pressure and decrease significantly with the increase of temperature. The binary mixtures show competitive adsorption behavior. Propylene is adsorbed much more strongly than ethylene in LTA zeolite. The obtained mass clouds show that propylene distributes in both the α cage and β cage of the LTA zeolite, while ethylene distributes mainly in the β cage of the LTA zeolite.

• Periodical: Advanced Materials Research (Volumes 779-780)
• Pages: 521-524
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.779-780.521
• Online since: September 2013
• Authors: Yuan Wang Deng, Wei Han, Liang Yin
• Keywords: Cold-Start, Diesel, Molecular Simulation, Monte Carlo, Zeolite

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