by M. Negash, N. Briggs, J. Weston, S. Crossley, J. Harwell, C. Aichele, D. Resasco, and B. J. Neely,
Work was performed at: Oklahoma State University and the University of Oklahoma
Demonstrated the capability to provide predictions of emulsion characteristics computationally.
Computational predictions avoid the current need for experimental work to determine emulsion characteristics and provides impetus toward the development of computer-assisted molecular design of emulsions.
Figure: QSPR modeling approach and results for average emulsion droplet size
"Quantitative structure-property relationship (QSPR) models for emulsion characterization," in AIChE Annual Meeting, Atlanta, November 16, 2014.