Adsorption of propane,propylene and isobutane on a metal–organic framework : molecular simulation and experiment

• Tipo: Artigo em Revista Científica Internacional
• Data: 2009

Autores

Nabil Lamia (Autor) FEUP; Miguel Jorge (Autor) FEUP; Miguel A. Granato (Autor) FEUP; Filipe A. Almeida Paz (Autor) Outra; Hubert Chevreau (Autor) FEUP; Alírio E. Rodrigues (Autor) FEUP

Revista

Título: Chemical Engineering Science

Vol. 64 Nº 14

Páginas: 3246-3259

ISSN: 0009-2509

Editora: Elsevier

Indexação

ISI Web of Science

Scopus

INSPEC

Classificação Científica

FOS: Ciências da engenharia e tecnologias > Engenharia química

CORDIS: Ciências Tecnológicas > Engenharia > Engenharia química

Outras Informações

DOI: 10.1016/j.ces.2009.04.010

Abstract (EN): The separation of propane/propylene mixtures is the most energy-intensive operation practiced in the petrochemical industry. Adsorptive processes are currently viewed as a promising alternative to cryogenic distillation for the separation of these mixtures. In this paper, we explore the possibility of using a new metal¿organic framework material, CuBTC, in adsorptive separation processes, particularly in a simulated moving bed (SMB) context using isobutane as a potential desorbent. A gravimetric method has been used to measure the adsorption equilibrium isotherms of propylene, propane and isobutane onto a commercial CuBTC powder over a temperature range from 323 to 423 K and pressures up to 100 kPa. These were complemented by a detailed experimental characterization of the structure of CuBTC using XRD and SEM techniques. Comparison of experimental isotherms with grand canonical Monte Carlo simulations in CuBTC showed that propane adsorption occurs preferentially in small octahedral pockets, while isobutane is excluded from these pockets due to its bulky structure. Propylene was seen to interact strongly with unsaturated metal sites, due to specific -Cu bonds. These interactions significantly enhance the affinity of this MOF for unsaturated hydrocarbons. Furthermore, in a range of temperatures and pressures, the affinity of CuBTC for isobutane is intermediate to that of propane and propylene. Our results suggest that CuBTC¿isobutane is a very promising adsorbent¿desorbent pair for use in SMB processes for propane/propylene separations.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 14