(138e) Molecular Modeling and New Naphtha Reforming Catalysts
AIChE Spring Meeting and Global Congress on Process Safety
2012
2012 Spring Meeting & 8th Global Congress on Process Safety
15th Topical on Refinery Processing
Advances in Catalysis for Refining Applications
Wednesday, April 4, 2012 - 3:30pm to 4:00pm
Continued research and development in catalytic naphtha reforming has led to new catalysts that increase reformate, hydrogen and aromatic yields for the transportation and petrochemical industries. In order to make the next significant improvement in yield selectivity, advanced characterization and molecular modeling tools have been employed to understand the current catalyst systems and to design improved catalysts.
The presentation will discuss how molecular modeling is being used to understand the coordination and bonding of aluminum, hydrogen and chloride as a function of alumina crystal face, water and HCl addition. The partial charge of the hydrogen atom can be either positive or negative depending upon the local interaction conditions which will impact the hydrocarbon reactions at these sites. Work is in progress to investigate the effect of aluminum defect sites, impurities and other elements on the alumina surface.
Topics
Checkout
This paper has an Extended Abstract file available; you must purchase the conference proceedings to access it.
Do you already own this?
Log In for instructions on accessing this content.
Pricing
Individuals
2012 Spring Meeting & 8th Global Congress on Process Safety
AIChE Pro Members | $150.00 |
AIChE Graduate Student Members | Free |
AIChE Undergraduate Student Members | Free |
AIChE Explorer Members | $225.00 |
Non-Members | $225.00 |
15th Topical on Refinery Processing only
AIChE Pro Members | $100.00 |
Fuels and Petrochemicals Division Members | Free |
AIChE Graduate Student Members | Free |
AIChE Undergraduate Student Members | Free |
AIChE Explorer Members | $150.00 |
Non-Members | $150.00 |