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Predictive models for the transport of volatile organic compounds in paper need to consider the complex interplay of diffusion, adsorption, desorption, or chemical reactions. The relative importance of each of these processes is determined by the polarity of the volatile. Hence, it is challenging to pick a valid theoretical model that correctly predicts transport regardless of the polarity. Here, physics-informed neural networks (PINNs) assess which of five different models correctly describe transport of DMSO as polar and n-tetradecane as apolar model compound: (i) a pseudo first-order adsorption model for an irreversible sorption process, (ii) a first-order kinetics model allowing reversible sorption, (iii) a second-order model with a reversible process, and an effective diffusion model accounting for a constant (iv) and for a variable effective diffusivity (v). Each tested model is given as set of partial differential equations (PDE). Considering the model under testing and experimentally obtained spatially and temporally resolved concentration profiles through stacks of paper sheets, PINNs predict concentration of the volatiles and associated material constants such as sorption constants and effective diffusion coefficients by solving the inverse problem. Our PINNs revealed two models, pseudo first-order sorption and second-order reversible sorption, that correctly predict concentration profiles and polarity-driven differences in sorption times. While a PINN-based picking of valid transport models has important implications for the development of effective methods for controlling emission of volatiles from paper materials, PINNs represent a versatile mathematical tool to validate or refute the capability of PDE-based theoretical models to describe experimental data. • PINNs evaluate sorption kinetics in porous materials. • Focus: Transport of organic volatiles in cellulose. • Pseudo first-order model suits organic volatiles. • Predicting transport of volatiles through paper. [ABSTRACT FROM AUTHOR]

The cost of specialized scientific equipment can be high and with limited funding resources, researchers and students are often unable to access or purchase the ideal equipment for their projects. In the fields of materials science and mechanical engineering, fundamental equipment such as tensile testing devices can cost tens to hundreds of thousands of dollars. While a research lab often has access to a large-scale testing machine suitable for conventional samples, loading devices for meso- and micro-scale samples for in-situ testing with the myriad of microscopy tools are often hard to source and cost prohibitive. Open-source software has allowed for great strides in the reduction of costs associated with software development and open-source hardware and additive manufacturing have the potential to similarly reduce the costs of scientific equipment and increase the accessibility of scientific research. To investigate the feasibility of open-source hardware, a micro-tensile tester was designed with a freely accessible computer-aided design package and manufactured with a desktop 3D-printer and off-the-shelf components. To our knowledge this is one of the first demonstrations of a tensile tester with additively manufactured components for scientific research. The capabilities of the tensile tester were demonstrated by investigating the mechanical properties of Graphene Oxide (GO) paper and thin films. A 3D printed tensile tester was successfully used in conjunction with an atomic force microscope to provide one of the first quantitative measurements of GO thin film buckling under compression. The tensile tester was also used in conjunction with an atomic force microscope to observe the change in surface topology of a GO paper in response to increasing tensile strain. No significant change in surface topology was observed in contrast to prior hypotheses from the literature. Based on this result obtained with the new open source tensile stage we propose an alternative hypothesis we term ‘superlamellae consolidation’ to explain the initial deformation of GO paper. The additively manufactured tensile tester tested represents cost savings of >99% compared to commercial solutions in its class and offers simple customization. However, continued development is needed for the tensile tester presented here to approach the technical specifications achievable with commercial solutions. [ABSTRACT FROM AUTHOR]