A Model for Adsorption and Diffusion in Water Vapor Barrier Films

Lian, Songyou; Zhang, Jintong; Wang, J.Y.; Xu, Congkang; Swart, H.C.; Terblans, J.J.

doi:10.1002/pssb.202000609

Cited by 10 publications

(3 citation statements)

References 32 publications

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“…Notably, the device lacks long-term stability because the PET is not impermeable to humidity (Figure S19, Supporting Information). [24] Simultaneously, this cooling down process is also monitored by selectively photographing with an IR thermal imaging camera (Figure 4d), which is consistent with the temperature profiles recorded by the TMA AuNPs thermistor (Figure 4c, yellow stars).…”

Section: Flexible Thermistorsupporting

confidence: 78%

A Metal Nanoparticle Thermistor with the Beta Value of 10 000 K

Zhao

Guo

Wang

et al. 2022

Small

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NTC thermistor, metallic oxide powders are mixed with a binder and sintered under high temperature (T ≈400-1450 °C). This step is not energy efficient and, even worse, prevents its use in fields requiring low-temperature processing, e.g., a flexible thermistor. In addition, with the increasing demand for high sensitivity, further improving the performance of ceramic thermistors faces great challenges. Composites of conductive filler in the insulating matrix have been used to improve the sensitivity of the temperature sensor, because the conducting pathways can be disconnected/connected upon swelling/shrinking. However, the temperature window is really small since it has to work near the melting point of crystalline regions. [1] Inspired by the ultrasensitive temperature/heat perception of living creatures, ion-conductive materials have recently attracted considerable attention. [2] For example, a composite of plant cells and carbon nanotubes shows a record high temperature sensitivity due to the increase of "free" conducting calcium cation concentration upon heating. [2b] Various ionic conductive materials (hydrogel, [3] ionic liquid, [2c,4] iongel, [5] etc.) combined with different output modes (resistance, [5a,6] capacitance, [7] voltage, [8] etc.) enable these devices with not only high thermal sensitivity, but also multiple functionalities (flexible, [5b,9] stretchable, [6b,7a] self-healing, [3a,10] etc.), displaying potential applications in electronic skins, prostheses, robots, etc. However, these ionic devices usually require sophisticated fabrication procedures and many of them suffer from poor stability due to the involvement of solvent. Up to now, the widely used NTC thermistor based on these ion-conductive materials with ultra-high sensitivity has been scarcely demonstrated.Metal nanoparticles, because of their physical and chemical attributes, have long been used as elements for sensing various physical (pressure, [11] humidity, [12] temperature, [13] etc.), chemical (organic vapors, [14] metal cations, [15] anions, [16] etc.), and biological (oligonucleotides, [17] proteins, [18] cells, [19] etc.) signals and/or species. Compared with other sensing applications, detecting temperature with metal nanoparticles is usually less efficient. This is due to the measured low activation energy (≈tens of meV), [20] indicating insensitive of their conductance to temperature. It is feasible to adjust the temperature coefficient and sensitivity of metal nanoparticles by various ligand treatments. [21] This method shows a limited increase of the activation energy (100-200 meV) by just tuning the interparticle distance. However, when these nanoparticles are functionalizedThe thermistor, typically made from metallic oxides, is a type of resistor whose electrical resistance is dependent on its temperature. Despite the wide usage, the limitations of ceramic thermistors become increasingly apparent as devices with improved performances are sought and as new applications emerge. Herein, a thermistor that is s...

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Section: Flexible Thermistorsupporting

confidence: 78%

A Metal Nanoparticle Thermistor with the Beta Value of 10 000 K

Zhao

Guo

Wang

et al. 2022

Small

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“…Lian et al [32] developed a model of water vapor permeation through different arrangements of PET and a defective barrier coating. They consider a two-dimensional system with concentration-independent diffusion coefficient and rectangular defects in a size range of 5-20 µm and a spacing of 100 µm.…”

Section: Expanding the Scope Of Defect Modellingmentioning

confidence: 99%

On the role of defects in modelling approaches for thin film gas barrier coatings on polymer substrates: I. Model development

Franke,

Dahlmann

2024

J. Phys. D: Appl. Phys.

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We present a method to model the gas permeation through silicon-oxide thin film coatings that are afflicted with nanoscale defects. With it, we are able to give an estimation of the diffusion coefficient in bulk by subtracting the influence of the defects. The model is based on data obtained from positron annihilation spectroscopy, which is processed to yield possible defect allocation patterns of the coatings. For a systematic evaluation of these patterns, a path through the coating is calculated and then subjected to in-depth analysis to evaluate the used approach as well as to interpret the results for insights on the permeation mechanisms. The model appears to function as intended and no unexpected behaviour is observed. The defect volume share is overestimated, which can be retraced to the underlying algorithm, and a correction method is applied to the resulting bulk diffusion coefficient. The model gives reasonable results both for oxygen and water vapor permeation. These results can be used in following works that build on the presented model.

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“…The fastest predictions of the properties of multilayer polymer films can be made using continuum models, where each layer is considered as a nonporous membrane or as a continuous medium. The concept of dissolution and diffusion, which describes the phenomena of gas transport in each layer, was first formulated in [52][53][54][55]. According to this concept, the penetration of small molecules through a membrane consists of three stages: (1) gas adsorption on the surface of the material, (2) diffusion of the sorbed gas molecules through the volume of the l layer, and (3) desorption from the opposite surface (see Figure S1a).…”

Section: Multiscale Model Descriptionmentioning

confidence: 99%

Gas Barrier Properties of Multilayer Polymer–Clay Nanocomposite Films: A Multiscale Simulation Approach

Knizhnik,

Komarov,

Potapkin

et al. 2023

Minerals

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The paper discusses the development of a multiscale computational model for predicting the permeability of multilayer protective films consisting of multiple polymeric and hybrid layers containing clay minerals as fillers. The presented approach combines three levels of computation: continuous, full atomic, and quantitative structure–property correlations (QSPR). Oxygen and water are chosen as penetrant molecules. The main predictions are made using the continuum model, which takes into account the real scales of films and nanoparticles. It is shown that reliable predictions of the permeability coefficients can be obtained for oxygen molecules, which is not always possible for water. The latter requires the refinement of existing QSPR methods and interatomic interaction potentials for the atomistic level of calculations. Nevertheless, we show that the maximum effect on permeability reduction from the addition of clay fillers to the hybrid layer can be achieved by using nanoparticles with large aspect ratios and a high degree of orientational order. In addition, the use of the hybrid layer should be combined with the use of polymer layers with minimal oxygen and water permeability. The constructed model can be used to improve the properties of protective coatings for food and drug storage and to regulate the gas permeability of polymeric materials.

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A Model for Adsorption and Diffusion in Water Vapor Barrier Films

Cited by 10 publications

References 32 publications

A Metal Nanoparticle Thermistor with the Beta Value of 10 000 K

A Metal Nanoparticle Thermistor with the Beta Value of 10 000 K

On the role of defects in modelling approaches for thin film gas barrier coatings on polymer substrates: I. Model development

Gas Barrier Properties of Multilayer Polymer–Clay Nanocomposite Films: A Multiscale Simulation Approach

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