Hindered diffusion of coal liquids. Quarterly report No. 4, June 18, 1993--September 17, 1993
- University of Southern California, Los Angeles, CA (United States). Dept. of Chemical Engineering
- Unocal Corp., Los Angeles, CA (United States)
The design of industrial catalysts requires that the diffusivity of the reacting species within the catalyst be accurately known. Nowhere is this more important than in the area of coal liquefaction and upgrading of coal liquids. In this area one is faced with the task of processing a number of heavy oils, containing metals and other contaminants, in a variety of process dependent solvents. It is important, therefore, on the basis of predicting catalyst activity, selectivity, and optimizing reactor performance, that the diffusivities of these oil species by accurately known. It is the purpose of this project to provide a correct concept of coal asphaltenes by careful and detailed investigations of asphaltene transport through porous systems under realistic process temperature and pressure conditions. The experimental studies will be coupled with detailed, in-depth statistical and molecular dynamics models intended to provide a fundamental understanding of the overall transport mechanisms. The project is of both experimental and theoretical nature and is divided into a number of tasks. Experimental tasks cover measuring asphaltene diffusivity in: model catalysts under realistic temperature and pressure conditions; sol-gel ceramic membranes; and model and real membranes under reactive conditions. Theoretical tasks include: study of hindered transport in a single pore; transport and reaction in networks of interconnected pores; Monte Carlo and molecular dynamics simulations; dilute simulations; low density diffusion with adsorption desorption; role of intramolecular, intermolecular and surface forces-accounting for aggregation and delamination phenomena; and molecular dynamics simulations.
- Research Organization:
- University of Southern California, Los Angeles, CA (United States). Dept. of Chemical Engineering
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG22-92PC92527
- OSTI ID:
- 10141106
- Report Number(s):
- DOE/PC/92527-T4; ON: DE94009700; BR: AA1525050
- Resource Relation:
- Other Information: PBD: [1993]
- Country of Publication:
- United States
- Language:
- English
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