Modeling nanoprecipitation from macroscopic mixing to internal structural dynamics

Interdisciplinary Areas: Engineering-Medicine, Micro-, Nano-, and Quantum Engineering

Project Description

Techniques for mixing fluids to drive the self-assembly of polymer or lipid nanoparticles are critically important for the scalable and reproducible manufacturing of next-generation drug delivery vehicles. The relevant length scales involved in these processes span five orders of magnitude, from bulk fluid mixing to nanoparticle internal structure formation. And though aspects of nanoprecipitation at different individual length scales have been studied, no unifying model exists that spans the entire range of relevant lengths. This Gilbreth Fellow will develop a comprehensive model for nanoprecipitation processes using simulations at three different scales:
(1) macroscopic fluid flow and mixing (1-100 µm scale, using computational fluid dynamics)
(2) microscopic diffusion-limited aggregation (10-100 nm scale, using coarse-grained simulations)
(3) nanoparticle internal structure formation (1-10 nm scale, using molecular dynamics simulations)
Results from simulations will be paired with experimental data available in both the Ardekani and Ristroph Labs to inform the development of the multi-scale model. The Fellow will work in close collaboration with experimentalists in both labs to validate the model against existing nanoprecipitation technologies and drive the development of innovative mixing processes for the future of nanomedicine. 

Start Date

Q1 or Q2 2025

Postdoc Qualifications

The ideal candidate for this position will have a Ph.D. in Mechanical Engineering, Chemical Engineering, Biological Engineering, or a related field and research experience with one or more of the following: fluid dynamics, molecular dynamics coarse-grained modeling, or experimental nanoparticle formulation development, particularly using antisolvent precipitation. Must demonstrate excellent communication skills in the form of published papers and conference presentations.

Co-advisors

Kurt Ristroph, ristroph@purdue.edu, Agricultural and Biological Engineering, www.ristrophlab.com
Arezoo Ardekani, ardekani@purdue.edu, Mechanical Engineering, www.engineering.purdue.edu/ComplexFlowLab 

Bibliography

DOI:
10.1021/acsnano.0c01835
10.1016/j.addr.2011.04.005
10.1021/acsnano.5b06890
10.1016/j.ces.2007.10.020