Title

Dynamic Simulation of Entangled Polymers undergoing Deformation

Presenter Information

Cody Spratt

Department

Chemical and Biochemical Engineering

Major

Chemical Engineering

Research Advisor

Park, Joontaek

Advisor's Department

Chemical and Biochemical Engineering

Abstract

Polymeric liquids possess complex properties that significantly deviate from Newtonian fluids. Therefore, understanding such abnormal flow behaviors is important in industrial applications. This study implements the stochastic-tube model to dynamically simulate polymer chains. These were placed under a constant shear rate for a certain amount of time and analyzed to ascertain whether the polymer chains undergo a “tumbling” motion and determine how the extent of linearity changes with time for different shear rates. The tumbling is also quantified in terms of a newly introduced variable. The simulation results indicate that the polymer chains exhibit a significant tendency to elongate at higher shear rates and occasionally experience tumbling, while lower shear rates tend to exhibit very infrequent tumbling and slight elongation. These results may help explain the inverse sigmoidal behavior of polymer viscosity vs. shear rate. Comparison of dynamic behaviors under shear and extension is also made.

Biography

Cody Spratt is a senior undergraduate chemical engineering student at the Missouri University of Science and Technology. Cody has worked with Dr. Joontaek Park on the polymer deformation simulation project from August 2013 to December 2013 and from January 2015 to April 2015. His contributions include writing/editing Matlab code to display polymer configurations in three-dimensional graphs, developing calculation methods to quantify polymer tumbling and extension, and generating organized displays of data that directly reflect the simulated polymer behavior.

Research Category

Engineering

Presentation Type

Oral Presentation

Document Type

Presentation

Award

Engineering oral presentation, Second place

Location

St. Pat's B

Presentation Date

15 Apr 2015, 2:30 pm - 3:00 pm

Comments

Joint project with Tong Mou

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Apr 15th, 2:30 PM Apr 15th, 3:00 PM

Dynamic Simulation of Entangled Polymers undergoing Deformation

St. Pat's B

Polymeric liquids possess complex properties that significantly deviate from Newtonian fluids. Therefore, understanding such abnormal flow behaviors is important in industrial applications. This study implements the stochastic-tube model to dynamically simulate polymer chains. These were placed under a constant shear rate for a certain amount of time and analyzed to ascertain whether the polymer chains undergo a “tumbling” motion and determine how the extent of linearity changes with time for different shear rates. The tumbling is also quantified in terms of a newly introduced variable. The simulation results indicate that the polymer chains exhibit a significant tendency to elongate at higher shear rates and occasionally experience tumbling, while lower shear rates tend to exhibit very infrequent tumbling and slight elongation. These results may help explain the inverse sigmoidal behavior of polymer viscosity vs. shear rate. Comparison of dynamic behaviors under shear and extension is also made.