MURI-22 AN INTEGRATED EXPERIMENTAL AND THEORETICAL APPROACH TOWARD UNDERSTANDING NOVEL REACTIVITY, STRUCTURE AND CHEMICAL GRADIENTS IN AQUEOUS MICRODROPLETS
Abstract
Understanding fundamental processes that occur in aqueous microdroplets that lead to enhanced reaction kinetics is important if we are to understand the role these unique reaction vessels can play in the chemical synthesis of new drugs, degradation of contaminants in water systems, and the control of viral activity in aerosols. In particular, this MURI focuses on two important size-dependent aspects of reactions in aqueous microdroplets – microdroplet surface physicochemical properties and diffusion within microdroplets. Using a new suite of experimental and computational methods and techniques to understand mechanisms of enhanced reactivity in aqueous microdroplets, a highly accomplished team of investigators has been assembled to tackle this problem. The team is uniquely qualified to investigate microdroplet surface properties, diffusion processes within microdroplets, chemical gradients in microdroplets and provide insights into how these key factors impact aqueous microdroplet reactivity. The MURI investigators have collectively and individually developed new experimental and computational methods and techniques to bring to bear on this fascinating chemistry. Two interrelated research thrust areas will be undertaken and include- - Research Thrust 1- Enhanced Chemical and Biological Activity within Microdroplets Evaluated using Different Measurement Modes. -Research Thrust 2- Measurements, Theory, and Modeling of the Physicochemical Properties of Microdroplets including Surface Composition, Surface Charge, Diffusion and Gradients. The overarching goal of this work is to provide the basis for a conceptual framework for understanding fundamental processes involved in novel reactivity in microdroplets so these unique reaction environments can be used in a variety of different ways including to promote chemical reactions, degrade environmental contaminants, and control the biological activity of virus-laden aerosols. A central goal is to develop the Rules of Microdroplet Reactivity to provide a quantitative understanding of the role played by the surface activity of products and reactants, surface alignment of reactants at the interface, diffusion within the droplet, and how droplet curvature (size), and droplet charge impact these. Obtaining a more complete understanding of key issues, especially as it relates to microdroplet surface physicochemical properties, chemical gradients and diffusion within droplets, will enable the development of a clear conceptual framework. This will be achieved by carrying out studies using several experimental approaches to answer critical questions and hypotheses on the fundamental mechanisms that govern novel reactivity in aqueous microdroplets. These experiments will be supported by state-of-the-art molecular dynamics simulations of these complex enrvironments, all motivated by a desire to better understand the effects of these interesting and unique confined space systems on chemical reactivity and biological activity.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Mar 07, 2023
- Source ID
- FA95502210199
Entities
People
- Robert E. Continetti
Organizations
- Air Force Office of Scientific Research
- United States Air Force
- University of California, San Diego