A5102978289- Phase Equilibria and Thermodynamics
- Rheology and Fluid Dynamics Studies
- Polymer crystallization and properties
- Chemical Thermodynamics and Molecular Structure
- Thermodynamic properties of mixtures
- Fluid Dynamics and Mixing
- Polymer Foaming and Composites
- Material Dynamics and Properties
- Reservoir Engineering and Simulation Methods
- Catalysis and Oxidation Reactions
- Carbon Dioxide Capture Technologies
- Analytical Chemistry and Chromatography
- High voltage insulation and dielectric phenomena
- Scientific Measurement and Uncertainty Evaluation
- Petroleum Processing and Analysis
- Mass Spectrometry Techniques and Applications
- Scientific Computing and Data Management
- Lubricants and Their Additives
- Polymer Nanocomposites and Properties
- Cyclone Separators and Fluid Dynamics
- Big Data and Business Intelligence
- Chemical and Environmental Engineering Research
- Fluid Dynamics and Heat Transfer
- Congenital Heart Disease Studies
- Electrostatic Discharge in Electronics
Dow Chemical (United States)
2009-2025
Massachusetts Institute of Technology
2020
Dow Chemical (Netherlands)
2020
National Institute of Standards and Technology
2020
Eindhoven University of Technology
2020
Dow Chemical (India)
2011-2018
Northwestern University
2006
Colgate-Palmolive (United States)
2004
University of Bristol
2004
University of Tennessee at Knoxville
1997-2000
Abstract This paper describes the development of a new high‐throughput (HT) method for screening surfactant additives removal water from bitumen extracted oil sands. The begins by isolating froth Canadian sands via hot extraction and flotation process. is then diluted with naphtha to form “dilbit” dilbit homogenized subsequently mixed twice ensure uniform distribution sediment. Then, aliquots are dispensed into separate vials, in at desired concentrations. Next, samples transferred...
We have performed extensive equilibrium and nonequilibrium molecular dynamics (EMD NEMD) simulations of three isomers C30H62 at temperatures 311 372 K employing a united atom model. Using the rotational relaxation time calculated from EMD simulation, Rouse model predicts zero-shear viscosity for n-triacontane within 16% value determined by NEMD. Compared to experiment, NEMD underpredict kinematic viscosities 9-n-octyldocosane but accurately predict values squalane (within 15%). In addition,...
The Citizen Data Science program: surviving and thriving in the R&D digital transformation.
The flow-induced crystallization of polymers is a ubiquitous aspect processing where the effect flow can dramatically alter end-use properties polymers. Here, we will describe development new methodology whereby on kinetics in polyethylene be determined after has occurred. This first illustration for rapidly crystallizing polyethylene, which required different approach than what been done other materials. Critically, this necessitated an understanding self-nucleation and melt memory behavior...
The primary goal of the eighth industrial fluid properties simulation challenge was to test ability molecular methods predict adsorption organic adsorbates in activated carbon materials. focused on perfluorohexane standard BAM-P109. Entrants were challenged at a temperature 273 K and relative pressures 0.1, 0.3, 0.6. pressure (P/P o ) is defined as that bulk saturation predicted by model given (273 this case). predictions judged comparison set experimentally determined values, which are...
Using nonequilibrium molecular dynamics simulation, we have studied the response of a C100 model polymer melt to step change from equilibrium constant, high shear rate flow. The transient stress exhibits pronounced overshoot at strain value predicted by reptation model, in striking similarity melts longer, entangled governed motion. At maximum overshoot, orientational order and alignment angle are found be midway between those characteristic Newtonian flow full with Doi-Edwards theory is...
Cross-linked polyethylene (XLPE) has been recognized as an outstanding insulator for high-voltage power cables due to its favorable structural integrity at high temperature, low moisture sensitivity, chemical resistance, and rates of failure aging. However, the roles by-products amorphous regions generated during XLPE production are not clearly known atomistic scale. In this study, we present eReaxFF-based molecular dynamics simulation framework with explicit electron description verified...
Polymer crystallization occurs in many plastic manufacturing processes, from injection molding to film blowing. Linear low-density polyethylene (LLDPE) is one of the most commonly processed polymers, wherein type and extent short-chain branching (SCB) may be varied influence crystallization. In this work, we report simultaneous measurements rheology Raman spectra, using a Rheo-Raman microscope, for two industrial-grade LLDPEs undergoing These polymers are characterized by broad...
Abstract Polymer modeling plays a vital role in industrial product and process development. is an integral component of the research development paradigm at The Dow Chemical Company. integrated multidisciplinary multiscale implemented reviewed first this article. Overviews are then provided polymer performed context seven different projects, namely: mechanical properties thermoplastic polymers; polymer/clay nanocomposites; polyol templating; flow induced crystallization modeling; design via...