Multi-material modeling of sorption-desorption processes with experimental validation. (18th May 2022)

• Record Type: Journal Article
• Authors: Roy, Pratanu; Castonguay, Stephen T.; Knipe, Jennifer M.; Sun, Yunwei; Glascoe, Elizabeth A.; Sharma, Hom N.
• Is Part Of: Chemical engineering science. Volume 253(2022)
• Publication Date: 2022-05-18
• Subjects: Dual-mode sorption -- Outgassing -- Langmuir kinetics -- Multi-material diffusion; Chemical engineering -- Periodicals; Génie chimique -- Périodiques; Chemical engineering; Periodicals; Electronic journals; 660
• DOI: 10.1016/j.ces.2022.117542
• Languages: English
• ISSNs: 0009-2509

Abstract

Graphical abstract: Highlights: Modeling of diffusive moisture transport coupled with kinetic Langmuir adsorption in a multi-material system. Characterization of material specific sorption parameters by a two-stage optimization technique. Verification and validation of the dual-mode sorption model using Zircar RS-1200 and Sylgard-184 materials. Abstract: 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.