CMSP Seminar (Atomistic Simulation Seminar Series) 24 April, 15:00, Christopher Gale

[CMSP Seminars Secretariat]

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CMSP Seminar (Atomistic Simulation Seminar Series)
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*Monday, 24 April 2023, 15:00*
*IN PERSON: Fibonacci Lecture Hall (Galileo Guesthouse)*/
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/Zoom registration link: 
https://zoom.us/meeting/register/tJwvceCqrDkuHNV_d1-CWBXZKo0tE4DfchA7
/

Speaker: *Christopher Gale* (Levinger Lab, Colorado State University)

Title: *The Shape of Self-Assembled Structures: The Tale of a Reverse 
Micelle*

Abstract:

Aerosol-OT (AOT) reverse micelles are a well-known model system for 
studying polar solutions in nanoconfinement. The diameter of aqueous AOT 
reverse micelles range from about 1 to 10 nm, depending on the amount of 
water loading. Although all-atom molecular dynamics simulations 
universally find AOT reverse micelles to be non-spherical, for 
simplicity most theories about the reverse micelles and the water within 
still assume a spherical shape. This is evident in modelling of the 
behavior of the polar solvent itself, such as in the core/shell 
hypothesis, as well as in modelling of the location of solutes inside of 
the micelle. Here, we study the shape of AOT reverse micelles using 
previously published metrics- coordinate-pair eccentricity, convexity, 
and the curvature distribution- in a series of different simulations to 
better understand both the shape and the causes of that shape. Our 
results demonstrate that interactions between AOT and the polar interior 
are the dominant determiners of shape; and that the issue of shape is 
likely best reframed from an issue of eccentricity to an issue of 
surface tension.


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CMSP, Condensed Matter & Statistical Physics Section
http://www.ictp.it/research/cmsp.aspx

The Abdus Salam International Centre for Theoretical Physics
https://www.ictp.it/

    
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