Code and data for: When may spray-capture models treat droplets as well mixed? A criterion and a surface-loading closure

Abstract

MATLAB code and saved results for the paper "When may spray-capture models treat droplets as well mixed? A criterion and a surface-loading closure" by Ali M. Sefidan. The code resolves reaction and diffusion inside a single droplet of aqueous monoethanolamine (MEA) absorbing CO2. Carbamate formed near the interface diffuses inward slowly, so the surface loads above the droplet average, which depletes free amine there and raises the local equilibrium back-pressure. From the resolved field the code builds two tools for reduced-order spray models: a screen, computed from the bulk droplet state alone, that estimates the interfacial flux penalty and so whether a well-mixed droplet is adequate; and a closure that adds the surface loading as one extra ordinary differential equation per droplet. Contents:- code.zip: 28 MATLAB scripts and functions. p2_run_all.m reproduces every figure, table and reported number of the paper and its Supplementary material in about five minutes, using base MATLAB only (tested with R2026a). p2_screen.m and p2_surface_excess_closure.m are self-contained functions for use in other spray or column codes.- results.zip: the .mat files written by a full run.- figures.zip: the figure PDFs of the paper (Figures 1-5) and its Supplementary material (Figures S1-S2).- README.md: how to run the code, and which script produces which figure, table or number. p2_claimcheck.m, run last by the driver, compares the reported numbers with the saved results and stops with an error if any of them differ.