1985 — 1991 |
Shing, Katherine |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Presidential Young Investigator Award: Molecular Thermodynamics and Phase Equilibrium (Computer Simulation and Experimentation) @ University of Southern California
Molecular thermodynamics and phase-equilibrium in multicomponent systems are being investigated. This work involves the application of computer-simulation and statistical-sampling techniques to the computation of thermodynamic free energy and phase behavior of liquid systems consisting of complex polar molecules. Specific goals of the research in the area of statistical mechanics of liquid mixtures are to develop better mixture theories for highly non-ideal mixtures, especially those with significant size differences between molecules; and to improve the simpler thermodynamic molecular models commonly used in industry through the use of new local composition models. Specific goals in the area of computer simulation include: development of better computer algorithms in order to allow better testing of theories than possible with the use of chemical potentials; and application of computer simulation in highly non-ideal dilute mixtures that are important in new processes such as supercritical extraction.
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0.915 |
2000 — 2004 |
Tsotsis, Theodore (co-PI) [⬀] Shing, Katherine Sahimi, Muhammad [⬀] |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Goali: Fundamental Studies of Transport of Mixtures in Microporous Membranes Under Supercritical Conditions @ University of Southern California
ABSTRACT
This project is a collaborative academic/industrial research (GOALI) project to investigate the transport of supercritical hydrocarbon/CO2 mixtures in microporous carbon molecular-sieve membranes. The study will proceed in two parts: (1) preparation and experimental characterization of the membrane along with computational modeling of the evolution of its structure during synthesis; and (2) measurement and simultaneous computer simulation of the sorption and transport of supercritical mixtures within the membranes. The systems under study are supercritical mixtures composed of CO2 and one or more of the following hydrocarbons, butane, isobutane, benzene, and toluene. These hydrocarbons were selected to represent typical aliphatic and aromatic compounds and to permit exploration of factors such as molecular shape. Non-equilibrium grand canonical molecular dynamics (NEGCMD) simulation techniques are being used to study the transport of these mixtures in microporous materials. The objective of the molecular calculations is to relate and correlate the membrane's molecular structure with experimentally observed transport properties and separation efficacy. The long-term goal is to achieve reliable engineering and design of improved materials for molecular sieves and catalytic-membrane reactors.
The results of these studies will contribute to applications such as the regeneration of adsorbents by supercritical CO2 and the use of membranes under supercritical conditions. Carbon molecular- sieve membranes are capable of withstanding the high pressures and temperatures associated with supercritical conditions. They can be prepared with well-controlled porosity and pore size and a very narrow pore-size distribution. Understanding the factors determining the ability of these materials to effect separations of supercritical mixtures based on differences in molecular mobility within the membranes will promote their use in the removal of various contaminants from water, sludges, soils, spent catalysts, and adsorbents like granular activated carbon. The ability to remove solutes continuously from supercritical carbon dioxide would produce significant reductions in operating costs compared with the energy-intensive expansion/re-compression cycle normally used to separate solutes from supercritical solvents.
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0.915 |
2007 — 2009 |
Tsotsis, Theodore (co-PI) [⬀] Shing, Katherine Lee, Jr., C. Ted Wang, Pin (co-PI) [⬀] Ragusa, Gisele (co-PI) [⬀] |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
A Degree Project Approach to Engineering Education @ University of Southern California
Engineering - Chemical (53)
Chemical Engineering education is facing a growing disconnect between a curriculum focused primarily on unit operations and faculty research that has increasingly emphasized nano- and bio-technology. This discrepancy has been recognized by an NSF-sponsored Frontiers in Chemical Engineering Education initiative, recommending a move from the macroscopic, unit-operations educational approach to one in which teaching is done from the molecular point of view in a bottom-up fashion. The challenge, however, is to continue to serve the more conventional chemical and petroleum industries while instituting this change. This project team is developing a two-pronged approach of utilizing (1) a recently-created nanotechnology course-work emphasis within the Department of Chemical Engineering and Materials Science, and (2) vertically- and horizontally-integrated degree projects. The degree projects consist of emphasis-specific laboratory modules in successive Chemical Engineering courses that build upon a student's growing knowledge in their chosen emphasis, while at the same time relate the degree project to traditional areas of Chemical Engineering. Students in the Nanotechnology Emphasis, for example, synthesize nanoparticles in the Mass Balance course, examine nanoparticle interactions in Thermodynamics, fractionate nanoparticles in Separations, investigate nanoparticle catalysts in Kinetics, and examine the thermal conductivity of nanocolloids in Heat Transfer, all culminating with an independent research project in the senior year. A comprehensive assessment strategy, including an observation rubric, an efficacy scale, and a success scale, allows evaluation of how the merger of traditional Chemical Engineering subjects with advanced nanotechnology and biotechnology topics may better prepare students for today's increasingly molecular-oriented workplace.
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0.915 |