1 17 March 2016 G. W. Slater Molecular Dynamics Simulations of Polymer/Post Collisions Gary W. Slater & Martin Kenward Université d’Ottawa (physique)

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Presentation transcript:

1 17 March 2016 G. W. Slater Molecular Dynamics Simulations of Polymer/Post Collisions Gary W. Slater & Martin Kenward Université d’Ottawa (physique)

2 17 March 2016 G. W. Slater

3 17 March 2016 G. W. Slater

4 17 March 2016 G. W. Slater Exploiting a Transient Elongational Flow Field to Prepare Monodisperse Polymers by Midpoint Chain Scission Brett A. Buchholz 1, Jacob M. Zahn 1,‡, Martin Kenward 2, Gary W. Slater 2, Annelise E. Barron 1 1 Department of Chemical and Biological Engineering, Northwestern University, Evanston, IL, USA 2 Department of Physics, University of Ottawa, Ottawa, Ontario K1N 6N5, Canada ‡ Present Address: Department of Chemical Engineering, Stanford University, Palo Alto, CA, USA

5 17 March 2016 G. W. Slater Pressure-loading device Effluent collection Pressurized chamber Polymer solution Tightening screw Nitrogen gas port Fused-silica capillary

6 17 March 2016 G. W. Slater The elongational flow field n Converging stream lines and their likely effect on polymer conformation n Polymer chains uncoil and stretch, and in some cases can become fully elongated n Three critical times: passage time; elongation time; scission time. Capillary inner diameter = 250  m, outer diameter = 359  m

7 17 March 2016 G. W. Slater

8 17 March 2016 G. W. Slater Modeling results: LPA n Good fit to experimental data obtained n There is the clear possibility of more than one breakage event per pass n Distribution of scission around center point (  0 ) only 10% n m 0 fluctuated for each pass n Simulation of the result of 50 passes through the system (M w = 546 kDa; PDI = 1.077)

9 17 March 2016 G. W. Slater Nanofluidics: New Physics, New Devices, New Frontiers Gary W. SLATER Université d’Ottawa (physique) Ottawa, Canada

10 17 March 2016 G. W. Slater Nano-sims

11 17 March 2016 G. W. Slater temperature Fluid density Nano-fluctuations

12 17 March 2016 G. W. Slater