Background and activities
Specializes in molecular dynamics simulation, adsorption, and transport phenomena. Applications include crude oil separation/flow assurance, chromatography.
Brian Grimes joined Ugelstad laboratory in 2007 for the purpose of mathematical modeling and simulation of transport and adsorption processes. Subjects of intrest include molecular dynamic simulation of model and indigenous crude oil surfactant compounds at oil-water interfaces, sedimentaion and coalescence of emulsions, as well as mass transport and fluid flow in porous media. His current research involves constructing a multi-scale modeling framework for interfacial mass transport in liquid-liquid dispersions which incorporates molecular dynamics simulations along with continuum and population balance modeling.
Brian was born in Detroit, MI USA. He obtained his Ph.D. in 2002 from the University of Missouri-Rolla. Upon completion of his Ph.D., he obtained an Alexander von Humboldt Research Fellowship and began his post-doc in Mainz, Germany.
Scientific, academic and artistic work
A selection of recent journal publications, artistic productions, books, including book and report excerpts. See all publications in the database
- (2018) A Control- and Estimation-Oriented Gravity Separator Model for Oil and Gas Applications Based upon First-Principles. Industrial & Engineering Chemistry Research. vol. 57 (21).
- (2017) Selective Charging Behavior in an Ionic Mixture Electrolyte- Supercapacitor System for Higher Energy and Power. Journal of the American Chemical Society. vol. 139 (51).
- (2016) Calculation of the probability for ionic association and dissociation reactions by molecular dynamics and umbrella sampling. Molecular Physics. vol. 114 (11).
- (2016) Coarse-Grained Interface Surfactant Density Maps for Calculation of the Fractional Conversion of Tetrameric Carboxylic Acids to Calcium Naphthenate Precipitates. Industrial & Engineering Chemistry Research. vol. 55 (17).
- (2015) Numerical study of pipeline restart of weakly compressible irreversibly thixotropic waxy crude oils. AIChE Journal. vol. 61 (8).
- (2015) Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids. Journal of Physical Chemistry A. vol. 119 (40).
- (2015) Ab Initio Molecular Dynamics Study on the Interactions between Carboxylate Ions and Metal Ions in Water. Journal of Physical Chemistry B. vol. 119 (33).
- (2014) Multiscale modeling of mass transfer and adsorption in liquid-liquid dispersions. 1. Molecular dynamics simulations and interfacial tension prediction for a mixed monolayer of mono- and tetracarboxylic acids. Industrial & Engineering Chemistry Research. vol. 53 (29).
- (2014) Multiscale modeling of mass transfer and adsorption in liquid-liquid dispersions. 2. application to calcium naphthenate precipitation in oils containing mono- and tetracarboxylic acids. Industrial & Engineering Chemistry Research. vol. 53 (29).
- (2014) Aggregates of poly-functional amphiphilic molecules in water and oil phases. Colloid Journal of the Russian Academy of Science. vol. 76 (5).
- (2014) Structure and Orientation of Tetracarboxylic Acids at Oil-Water Interfaces. Journal of Dispersion Science and Technology. vol. 35 (7).
- (2012) Population Balance Model for Batch Gravity Separation of Crude Oil and Water Emulsions. Part I: Model Formulation. Journal of Dispersion Science and Technology. vol. 33 (4).
- (2012) Population Balance Model for Batch Gravity Separation of Crude Oil and Water Emulsions. Part II: Comparison to Experimental Crude Oil Separation Data. Journal of Dispersion Science and Technology. vol. 33 (4).
- (2012) Coalescence kinetics in surfactant stabilized emulsions: Evolution equations from direct numerical simulations. Journal of Chemical Physics. vol. 137 (21).