GOALI: Theoretical Foundations of Interaction Nanoparticle Chromatography

点击翻译按钮获取中文摘要

1510993NeimarkThis GOALI award is for the collaboration between Rutgers University and DuPont Corporation and supports research and education to develop theoretical foundations for separation of functionalized nanoparticles (NP) using a new technique of interaction nanoparticle chromatography (INPC). The PIs will systematically study for the first time the specifics of NP adhesion and mobility with specially designed theoretical and computational tools based on the hybrid dissipative particle dynamics (DPD) and Monte Carlo (MC) simulation techniques. These methods will be applied to and tested against experimental data collected at DuPont on separation of functionalized silica NPs on polymer-grafted monolith columns. The success of the proposed project will enable a strategic approach to guided optimization of INPC conditions for improved NP characterization, separations, and purification. The results of this research will have a significant transformative interdisciplinary impact for simulation and optimization of various complex NP-polymer composite systems and processes and a rational design of novel nanocomposites, NP-based drug delivery vehicles, and pharmaceutical gels and films. The results of this work will be disseminated by creating a dedicated webpage for making project reports and presentations available for educational purposes. The computational programs together with several instructive case study examples will be posted on the webpage for free distribution among the scientific community. The students will benefit from industrial training and research facilities of DuPont Experimental Station. Guided by the industrial Co-PI, they will produce computer programs of practical relevance and get a hands-on experience in NP and chromatographic experimentation.