Evelyn N. Wang

Machine learning (ML) surrogate models offer a promising route to accelerate material property prediction, bypassing costly atomistic simulations. Here, we introduce IsothermODE, a neural ordinary differential equation (NODE) framework for reconstructing full uptake and heat of adsorption $$\left(\Delta {H}_{{\rm{ads}}}\right)$$ isotherms for CO2 adsorption in metal-organic frameworks (MOFs) using only sparse pressure data. Unlike traditional ML models, IsothermODE leverages the intrinsic structure of differential equations to produce smooth, physically-consistent predictions that generalize across wide pressure ranges. We demonstrate high-fidelity interpolation and extrapolation, even with only five pressure points. To address the stochasticity inherent in Grand Canonical Monte Carlo (GCMC) simulations, we integrate uncertainty quantification, yielding tight bounds on predicted enthalpy curves. We further interpret the learned latent dynamics in terms of adsorption thermodynamics and textural properties, offering insight into structure-property relationships. Finally, we demonstrate IsothermODE’s long-range interpolation and extrapolation capabilities with sparse isotherm data (5 pressure points) and large incomplete intervals featuring missing data between 4–40 (case 1) and 25–50 (case 2) bars. IsothermODE provides a fast, robust alternative to simulation-heavy workflows, enabling scalable screening and design of next-generation carbon capture materials.

Abstract Hygroscopic hydrogels are emerging as scalable and low‐cost sorbents for atmospheric water harvesting, dehumidification, passive cooling, and thermal energy storage. However, devices using these materials still exhibit insufficient performance, partly due to the limited water vapor uptake of the hydrogels. Here, the swelling dynamics of hydrogels in aqueous lithiumchloride solutions, the implications on hydrogel salt loading, and the resulting vapor uptake of the synthesized hydrogel–salt composites are characterized. By tuning the salt concentration of the swelling solutions and the cross‐linking properties of the gels, hygroscopic hydrogels with extremely high salt loadings are synthesized, which enable unprecedented water uptakes of 1.79 and 3.86 gg −1 at relative humidity (RH) of 30% and 70%, respectively. At 30% RH, this exceeds previously reported water uptakes of metal–organic frameworks by over 100% and of hydrogels by 15%, bringing the uptake within 93% of the fundamental limit of hygroscopic salts while avoiding leakage problems common in salt solutions. By modeling the salt‐vapor equilibria, the maximum leakage‐free RH is elucidated as a function of hydrogel uptake and swelling ratio. These insights guide the design of hydrogels with exceptional hygroscopicity that enable sorption‐based devices to tackle water scarcity and the global energy crisis.

An adsorption system can be used as part of a climate control system in a vehicle or in any other space requiring heating or cooling. The adsorbent system can include an enclosure, a plurality of layers arranged in a stack inside the enclosure, and a vapor channel inside the enclosure.

Water vapor sorption is a ubiquitous phenomenon in nature and plays an important role in various applications, including humidity regulation, energy storage, thermal management, and water harvesting. In particular, capturing moisture at elevated temperatures is highly desirable to prevent dehydration and to enlarge the tunability of water uptake. However, owing to the thermodynamic limit of conventional materials, sorbents inevitably tend to capture less water vapor at higher temperatures, impeding their broad applications. Here, an inverse temperature dependence of water sorption in poly(ethylene glycol) (PEG) hydrogels, where their water uptake can be doubled with increasing temperature from 25 to 50 °C, is reported. With mechanistic modeling of water-polymer interactions, this unusual water sorption is attributed to the first-order phase transformation of PEG structures, and the key parameters for a more generalized strategy in materials development are identified. This work elucidates a new regime of water sorption with an unusual temperature dependence, enabling a promising engineering space for harnessing moisture and heat.

Colloidal self-assembly has attracted significant interest in numerous applications including optics, electrochemistry, thermofluidics, and biomolecule templating. To meet the requirements of these applications, numerous fabrication methods have been developed. However, these are limited to narrow ranges of feature sizes, are incompatible with many substrates, and/or have low scalability, significantly limiting the use of colloidal self-assembly. In this work, we study the capillary transfer of colloidal crystals and demonstrate that this approach overcomes these limitations. Enabled by capillary transfer, we fabricate 2D colloidal crystals with nano-to-micro feature sizes spanning 2 orders of magnitude and on typically challenging substrates including those that are hydrophobic, rough, curved, or structured with microchannels. We developed and systemically validated a capillary peeling model, elucidating the underlying transfer physics. Due to its high versatility, good quality, and simplicity, this approach can expand the possibilities of colloidal self-assembly and enhance the performance of applications using colloidal crystals.

Described herein are window retrofits including a monolithic silica aerogel slab having (i) an average haze value of <5% as calculated in accordance with ASTM standard D1003-13 and (ii) a U-factor of <0.5 BTU/sf/hr/° F., and a transparent polymer envelope sealed at an internal pressure of ≤1 atmosphere, wherein the monolithic silica aerogel slab is encapsulated in the transparent polymer envelope. The monolithic aerogel slab can have a transmittance >94% at 8 mm thickness. The window retrofit can be bonded to a glass sheet.

Hygroscopic hydrogels have emerged as scalable and low-cost materials with the potential of high-performance vapor sorption for atmospheric water harvesting, dehumidification, and passive cooling. Despite extensive research interest aimed at improving hygroscopic hydrogels, devices using these materials still exhibit insufficient performance, partly due to limited water uptake of the hydrogels. In this work, we study the swelling dynamics of hydrogels in aqueous lithium chloride solutions and use this to achieve extreme salt loading of hygroscopic hydrogels. By rationally tuning the salt concentration used for swelling we achieve successful synthesis of hygroscopic hydrogels with high water uptake of 1.76 g/g, 2.53 g/g, 3.80 g/g at relative humidites of 30%, 50%, and 70%, respectively, exceeding previous hydrogels by over 19%. These water uptakes bring the performance of hydrogels within ≈91% of the fundamental limit of commonly used hygroscopic salts, while still avoiding leakage problems common in salt solutions. Furthermore, we elucidate via models the maximum uptake achievable without leakage as a function of the operating relative humidity and hydrogel swelling ratio. The insights from this work can be used to design hygroscopic hydrogels with exceptional performance for a wide variety of sorption applications to tackle global challenges such as water scarcity and energy efficiency.