Upcoming Events

Extraction, Sorption and Retention Processes: Molecular-level Insights from Monte Carlo Simulations

March 26, 2013 11:00AM to 12:00PM
Presenter 
J. Ilja Siepmann, University of Minnesota
Location 
Building 205
Type 
Colloquium
Series 
CSE Colloquium
Abstract:
Molecular simulations using efficient Monte Carlo algorithms and accurate force fields are used to explore complex separation processes:

  • (i) the liquid-liquid extraction of ethanol from aqueous solution,
  • (ii) the adsorption of binary and ternary mixtures of alcohols and water onto silicalite-1, and
  • (iii) the retention of alkanes, alcohols, and arenes in reversed-phase liquid chromatography.

The simulations yield molecular-level information on the factors that govern selectivity and capacity and aid in the design of more efficient separation processes.