Development of a reactive force field for <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si43.svg"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CaCl</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub><mml:mo>·</mml:mo></mml:mrow></mml:math>n<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si44.svg"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub><mml:mi mathvar

Heijmans, Koen; Nab, Sophie; Holkenborg, Bern Klein; Pathak, Amar Deep; Gaastra-Nedea, Silvia V.; Smeulders, David

doi:10.1016/j.commatsci.2021.110595

Cited by 12 publications

(6 citation statements)

References 57 publications

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“…to crosslink the hydrogel to effectively prevent the evaporation of water molecules. In addition, combined water is more difficult to form crystals than free water, and its average molecular motion ability is lower than that of free water molecules, so it is difficult to transfer freely at low temperatures, thus hindering the growth of ice crystals [59,122]. The CaCl 2 aqueous solution firmly fixes the water molecules in the polymer network through the strong coordination bonds between H 2 O-Ca 2+ , thus endowing the hydrogel with anti-freeze and moisturizing properties.…”

Section: Problems and Challengesmentioning

confidence: 99%

Recent Advances in Chitosan-Based Hydrogels for Flexible Wearable Sensors

Zhao

et al. 2023

Chemosensors

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Flexible wearable sensors show great potential for applications in wearable devices, remote health monitoring, artificial intelligence, soft robotics, and artificial skin due to their stretchability, bendability, thinness and portability, and excellent electrical properties. Hydrogels have tunable mechanical properties, excellent biocompatibility, and flexibility, making them attractive candidates for wearable flexible sensors. Among them, tremendous efforts have focused on the advancement of chitosan-based hydrogels (CS-Gels) to realize multifunctional wearable sensing by modifying hydrogel networks with additives/nanofillers/functional groups. Recently, remarkable progress has been made in flexible wearable sensors. Herein, this review summarizes recent advances in CS-Gels wearable sensors for applications such as human motion monitoring, health monitoring, human-machine interface and soft robotics. Representative synthesis methods and strategies for CS-Gels are briefly described, the problems and deficiencies of CS-Gels for wearable sensors are discussed. Finally, the possible opportunities and challenges for the future development of CS-Gels flexible wearable devices are proposed.

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Section: Problems and Challengesmentioning

confidence: 99%

Recent Advances in Chitosan-Based Hydrogels for Flexible Wearable Sensors

Zhao

et al. 2023

Chemosensors

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“…Similar to MgSO4, the crystal structures of CaCl 2 [91] and CaCl 2 •2H 2 O [92], as well as MgCl 2 •2H 2 O [93] and MgCl 2 •2H 2 O [94], have a strong anisotropic morphology, as shown in Figure 12. A new ReaxFF force field was developed to describe crystal surface energies, reaction enthalpies, thermal conductivity, desorption kinetics, and radial distribution functions [95]. Some results show that the initial desorption is 1.9-2.5 times lower in the z-direction.…”

Section: Reaction Equation Referencementioning

confidence: 99%

Salt Hydrate Adsorption Material-Based Thermochemical Energy Storage for Space Heating Application: A Review

et al. 2023

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Recent years have seen increasing attention to TCES technology owing to its potentially high energy density and suitability for long-duration storage with negligible loss, and it benefits the deployment of future net-zero energy systems. This paper provides a review of salt hydrate adsorption material-based TCES for space heating applications at ~150 °C. The incorporation of salt hydrates into a porous matrix to form composite materials provides the best avenue to overcome some challenges such as mass transport limitation and lower thermal conductivity. Therefore, a systematic classification of the host matrix is given, and the most promising host matrix, MIL-101(Cr)(MOFs), which is especially suitable for loading hygroscopic salt, is screened from the perspective of hydrothermal stability, mechanical strength, and water uptake. Higher salt content clogs pores and, conversely, reduces adsorption performance; thus, a balance between salt content and adsorption/desorption performance should be sought. MgCl2/rGOA is obtained with the highest salt loading of 97.3 wt.%, and the optimal adsorption capacity and energy density of 1.6 g·g−1 and 2225.71 kJ·kg−1, respectively. In general, larger pores approximately 8–10 nm inside the matrix are more favorable for salt dispersion. However, for some salts (MgSO4-based composites), a host matrix with smaller pores (2–3 nm) is beneficial for faster reaction kinetics. Water molecule migration behavior, and the phase transition path on the surface or interior of the composite particles, should be identified in the future. Moreover, it is essential to construct a micromechanical experimental model of the interface.

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“…Thermal dehydration of calcium chloride hydrates is one such example, which is a candidate for thermochemical energy storage technology via cyclic thermal dehydration and hydration of anhydride. [16][17][18][19][20][21][22][23][24] Among calcium chloride hydrates with different numbers of crystallization water, calcium chloride dihydrate (CC-DH) is a stable compound, which appears as an intermediate hydrate during the thermal dehydration of hexahydrate and tetrahydrate to form calcium chloride anhydride (CC-AH). 21 CC-DH is also a stable product of the hydration of CC-AH.…”

Section: Introductionmentioning

confidence: 99%