Accurate Measurements and Simulations of the Evaporation and Trajectories of Individual Solution Droplets

• Published in: The journal of physical chemistry. B Vol. 127; no. 15; pp. 3416 - 3430
• Main Authors: Hardy, Daniel A., Robinson, Joshua F., Hilditch, Thomas G., Neal, Edward, Lemaitre, Pascal, Walker, Jim S., Reid, Jonathan P.
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 20.04.2023
• Subjects: B: Liquids; Chemical and Dynamical Processes in Solution; Chemical Sciences; or physical chemistry; Theoretical and; Computational chemistry; Liquids; Solution chemistry; Evaporation; Crystallization
• ISSN: 1520-6106; 1520-5207
• DOI: 10.1021/acs.jpcb.2c08909

A refined numerical model for the evaporation and transport of droplets of binary solutions is introduced. Benchmarking is performed against other models found in the literature and experimental measurements of both electrodynamically trapped and freefalling droplets. The model presented represents the microphysical behavior of solutions droplets in the continuum and transition regimes, accounting for the unique hygroscopic behavior of different solutions, including the Fuchs–Sutugin and Cunningham slip correction factors, and accounting for the Kelvin effect. Simulations of pure water evaporation are experimentally validated for temperatures between 290 K and 298 K and between relative humidity values of approximately 0% and 85%. Measurements and simulations of the spatial trajectories and evaporative behavior of aqueous sodium chloride droplets are compared for relative humidity values between 0 and 40%. Simulations are shown to represent experimental data within experimental uncertainty in initial conditions. Calculations of a time-dependent Péclet number, including the temperature dependence of solute diffusion, are related to morphologies of sodium chloride particles dried at different rates. For sodium chloride solutions, dried particles are composed of collections of reproducibly shaped crystals, with higher evaporation rates resulting in higher numbers of crystals, which are smaller.