Multi-material modeling of sorption-desorption processes with experimental validation

Moisture sorption and transport can pose severe consequences related to the performance and lifetime of materials in many applications. This work explores the modeling and characterization of diffusive moisture transport coupled with kinetic Langmuir adsorption in a multi-material system. A finite volume method was applied with an implicit Euler time-stepping scheme to solve the coupled unsteady diffusion-sorption equations. A level set framework with smoothed Heaviside function was used to implicitly treat the moisture concentration and flux conditions at material interfaces, allowing for the simulation of complex 3D shapes. For validation purposes, ceramic and polymeric materials were characterized via a two-stage optimization technique using the dynamic vapor sorption apparatus. Then outgassing experiments were performed using these materials in which moisture concentration was measured at multiple locations in the headspace. The developed model was then used to predict the moisture outgassing measurements from these experiments accurately. (c) 2022 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-NDlicense (http://creativecommons.org/licenses/by-nc-nd/4.0/).

Automated summary

This work explores the modeling and characterization of diffusive moisture transport coupled with kinetic Langmuir adsorption in a multi-material system. The finite volume method with an implicit Euler time-stepping scheme is used to solve the coupled unsteady diffusion-sorption equations. A level set framework with a smoothed Heaviside function is employed to handle moisture concentration and flux conditions at material interfaces, allowing for the simulation of complex 3D shapes.