U.S.-Hungary Chemical Engineering Research on Phase Equilibrium and Interfacial Properties in Shearing Liquids

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INT 9603005 Cummings This U.S.-Hungary research project between Dr. Peter Cummings of the University of Tennessee and Dr. Andras Baranyai of Eotvos University, Budapest, will examine the interfacial properties of shearing liquids in atomic/molecular detail using nonequilibrium molecular dynamic simulations. The liquids employed may be liquid-vapor or liquid-liquid interfaces in the presence or in the absence of amphiphilic molecules. This study, at the molecular level, is undertaken as a preliminary step toward being able to predict the mixing or demixing behavior of polymers. Collaboratively, the U.S.-Hungarian team intends to: 1) develop simulation algorithms for this study; 2) model the structural properties of shearing interfaces at the molecular level; 3) calculate the physical properties of the interfaces and quantify the effect of the shear; and 5) develop simulation algorithms for the study of phase separation in steady shearing systems. In the process, the researchers will search for other possible simulation methods applicable to the study of nonequilibrium separation. Results are expected to contribute to our understanding of fast flow conditions, such as those arising frequently in chemical, oil and gas industrial processing. This joint project in chemical engineering research fulfills the program objective of advancing scientific knowledge by enabling leading experts in the United States and Eastern Europe to combine complementary talents and pool resources in areas of strong mutual interest and competence. ??