Molecular simulation design of a multisite solid for the abatement of cold start emissions

B. Puértolas; M. Navlani-García; J. M. López; T. García; R. Murillo; A. M. Mastral; M. V. Navarro; D. Lozano-Castelló; A. Bueno-López; D. Cazorla-Amorós

doi:10.1039/C2CC30688C

Molecular simulation design of a multisite solid for the abatement of cold start emissions†

B. Puértolas,^a M. Navlani-García,^b J. M. López,^a T. García,*^a R. Murillo,^a A. M. Mastral,^a M. V. Navarro,^a D. Lozano-Castelló,*^b A. Bueno-López^b and D. Cazorla-Amorós^b

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^a Instituto de Carboquímica, ICB-CSIC, C/Miguel Luesma Castán, 50018 Zaragoza, Spain
E-mail: tomas@icb.csic.es
Fax: +34 976733977

^b Departamento de química inorgánica, Universidad de Alicante, Apartado 99, Alicante, Spain
E-mail: d.lozano@ua.es

Abstract

A highly effective hydrocarbon (HC) trap for the abatement of cold start HC emissions with specific adsorption sites for the different molecules present in the exhaust gases has been designed by means of molecular simulation tools, and later synthesized.

Chemical Communications

Molecular simulation design of a multisite solid for the abatement of cold start emissions†

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Molecular simulation design of a multisite solid for the abatement of cold start emissions

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