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This study employs Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations to investigate interactions between water molecules and Poly(Nisopropylacrylamide) (PNIPAM). DFT reveals preferential water binding sites, with enhanced binding energy observed in the linker zone. Quantum Theory of Atoms in Molecules (QTAIM) and electron localization function (ELF) analyses highlight the roles of hydrogen bonding and steric hindrance. MD simulations unveil temperature-dependent hydration dynamics, with structural transitions marked by changes in the radius of gyration (Rg) and the radial distribution function (RDF), aligning with DFT findings. Our work goes beyond prior studies by combining a DFT, QTAIM and MD simulations approach across different PNIPAM monomer-to-30mer structures. It introduces a systematic quantification of pseudo-saturation thresholds and explores water clustering dynamics with structural specificity, which have not been previously reported in the literature. These novel insights establish a more complete molecular-level picture of PNIPAM hydration behavior and temperature responsiveness, emphasizing the importance of amide hydrogen and carbonyl oxygen sites in hydrogen bonding, which weakens above the lower critical solution temperature (LCST), resulting in increased hydrophobicity and paving the way for understanding water sorption mechanisms, offering guidance for future applications such as dehumidification and atmospheric water harvesting.more » « lessFree, publicly-accessible full text available May 26, 2026
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Space cooling constitutes >10% of worldwide electricity consumption and is anticipated to rise swiftly due to intensified heatwaves under emerging climate change. The escalating electricity demand for cooling services will challenge already stressed power grids, especially during peak times of demand. To address this, the adoption of demand response to adjust building energy use on the end-user side becomes increasingly important to adapt future smart buildings with rapidly growing renewable energy sources. However, existing demand response strategies predominantly explore sensible cooling energy as flexible building load while neglecting latent cooling energy, which constitutes significant portions of total energy use of buildings in humid climates. Hence, this paper aims to evaluate the demand response potential by adjusting latent cooling energy through ventilation control for typical medium commercial office buildings in four representative cities across different humid climate zones, i.e., Miami, Huston, Atlanta, and New York in the United States (US). As the first step, the sensible heat ratio, defined as sensible cooling load to total building load (involving both sensible and latent load), in different humid climates are calculated. Subsequently, the strategy to adjust building latent load through ventilation control (LLVC) is explored and implemented for demand response considering the balance of energy shifting, indoor air quality, and energy cost. Results reveal that adjusting building ventilation is capable of achieving 30%–40% Heating, Ventilation, and Air-conditioning (HVAC) cooling demand flexibility during HVAC operation while among this, the latent cooling energy contributes 56% ~ 66.4% to the overall demand flexibility. This work provides a feasible way to improve electricity grid flexibility in humid climates, emphasizing the significant role of adjusting latent cooling energy in building demand response.more » « less
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Solar-driven interfacial evaporation shows great prospects for seawater desalination with its rapid fast evaporation rate and high photothermal conversion efficiency. Here, a sustainable, biodegradable, non-toxic, and highly efficient full ocean biomass-based solar-driven evaporator is reported, which is composed of chitosan (CS) hydrogel as the hydratable skeleton and cuttlefish ink (CI) as the photothermal material. Under solar irradiation, the cuttlefish ink powder harvests solar energy and heats the surrounding water. Simultaneously, the water in the three-dimensional network of chitosan hydrogel is rapidly replenished by the interconnected porous structure and the hydrophilic functional groups attached to the polymer chains. With its enlarged evaporation surface, high solar absorptance, adequate water transportation, good salt drainage, and heat localization, the CI/CS-based evaporator achieves a remarkable evaporation rate of 4.1 kg m −2 h −1 under one sun irradiance (1 kW m −2 ) with high-quality freshwater yields. This full ocean biomass-based evaporator with abundant raw material availability provides new possibilities for an efficient, stable, sustainable, and environmentally friendly solar evaporator with guaranteed water quality.more » « less
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Abstract Nanocomposites containing nanoscale materials offer exciting opportunities to encode nanoscale features into macroscale dimensions, which produces unprecedented impact in material design and application. However, conventional methods cannot process nanocomposites with a high particle loading, as well as nanocomposites with the ability to be tailored at multiple scales. A composite architected mesoscale process strategy that brings particle loading nanoscale materials combined with multiscale features including nanoscale manipulation, mesoscale architecture, and macroscale formation to create spatially programmed nanocomposites with high particle loading and multiscale tailorability is reported. The process features a low‐shrinking (<10%) “green‐to‐brown” transformation, making a near‐geometric replica of the 3D design to produce a “brown” part with full nanomaterials to allow further matrix infill. This demonstration includes additively manufactured carbon nanocomposites containing carbon nanotubes (CNTs) and thermoset epoxy, leading to multiscale CNTs tailorability, performance improvement, and 3D complex geometry feasibility. The process can produce nanomaterial‐assembled architectures with 3D geometry and multiscale features and can incorporate a wide range of matrix materials, such as polymers, metals, and ceramics, to fabricate nanocomposites for new device structures and applications.more » « less
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