Molecular-level imaging of hydrogen-bonded organic frameworks by cryogenic low-dose electron microscopy
December 2025
The fundamental problems associated with structural inhomogeneities of hydrogen-bonded organic frameworks (HOFs), such as surface terminations and host-guest heterostructures that govern their functionalities...
Unique compounds functionalized with three-membered cyclic structures
December 2025
Three-membered cyclic compounds are a fascinating class of compounds: they have the maximum torsional and angular strain (sp3 hybridization but bond angles deviate from 109°28’), and possess unique...
The investigation of the reaction mechanism of CO2 in HMDA/DEEA and EAE/1DMA2P aqueous solution systems
December 2025
Revealing the reaction mechanism of CO2 absorption by mixed amine solutions can provide theoretical guidance for establishing complex kinetic models. This study investigated the CO2 capture mechanisms...
Sustainable hybrid photo/electro-enzyme systems for CO2 conversion
December 2025
Carbon dioxide (CO2), as an abundant and renewable carbon feedstock, holds immense potential for sustainable biomanufacturing. However, natural carbon fixation pathways, such as the Calvin-Benson-Bassham...
A multiscale investigation combining thermodynamic modeling and molecular dynamics study on CO2 capture with [N1111][Triz]-H2O solvent
December 2025
The urgent need to mitigate anthropogenic CO2 emissions has driven the development of energy-efficient carbon capture systems. This study investigated a [N1111][Triz]-H2O hybrid solvent for CO2 capture...
An internal circulation rotating packed bed for green chemical engineering: structure optimization of liquid lifter
December 2025
The internal circulation rotating packed beds (IN-RPBs) have been widely used in multiphase systems. However, its key component's liquid lifter suffers from the liquid lifting rate (QL), limiting the...
Poisoning mechanism of Ti0.8Zr0.2Cr0.75Mn1.25Ce0.01 hydrogen storage alloy by trace H2S, CO, and CH4
December 2025
TiMn2-based alloys hold significant application potential due to their moderate hydrogen storage operating conditions and exceptional volumetric hydrogen storage density. Industrial by-product hydrogen,...
Aqueous polyamine-based deep eutectic solvent: balancing stability, CO2 absorption/desorption performance, and post-absorption viscosity
December 2025
Deep eutectic solvents (DESs) have gained significant attention as potential absorbents for CO2 capture due to their tunable physicochemical properties and environmental sustainability. However, achieving...
Unlocking deep eutectic solvent knowledge through a large language model-driven framework and an interactive AI agent
December 2025
Artificial intelligence (AI) is playing an important role in advancing green chemical engineering, while the lack of data remains a primary challenge in many fields. Deep eutectic solvents (DESs) are...
A perspective on transforming fats, oil, and grease (FOG) into hydrogen: insights on steam reforming catalysts and the case study of Hong Kong using techno-economic analysis and life cycle assessment
December 2025
The increasing demand for sustainable energy has intensified interest in hydrogen production from renewable sources. Although catalytic steam reforming of methane and other feedstocks has been extensively...
Smooth pore surface in zeolites for krypton capture under humid conditions
December 2025
Efficient trace radioactive krypton isotopes (85Kr) capture from air under humid conditions is a critical challenge for nuclear safety and environmental protection. Commercial zeolites suffer from low...
Stabilizing the cathode-electrolyte interphase for superior Li-ion batteries
December 2025
The cathode-electrolyte interphase (CEI) plays a pivotal role in determining the energy density and cycling stability of lithium-ion batteries. However, its complex formation mechanisms, dynamic evolution,...
Thermochemical valorization of alcohol industry residues into biocarbon for energy and environmental applications: a review
December 2025
Alcohol industry residues (AIRs) are protein-rich lignocellulosic biowastes from a major industry, having the dual traits of renewable biomass and organic waste. They mainly consist of Brewer's spent...
OFC: Outside Front Cover
December 2025
Critical evaluation of feature importance assessment in FFNN-based models for predicting Kamlet-Taft parameters
September 2025
Mohan et al. developed a feed-forward neural network (FFNN) model to predict Kamlet-Taft parameters using quantum chemically derived features, achieving notable predictive accuracy. However, this study...
pH-tuneable simultaneous and selective dye wastewater remediation with digestate-derived biochar: adsorption behaviour, mechanistic insights and potential application
September 2025
The use of biochar for organic pollutants adsorption has emerged as a key component in wastewater remediation research. In this study, biochar prepared from digestate was subjected to nitric acid functionalization...
Optimization strategies and diagnostic techniques for water management in proton exchange membrane fuel cells
September 2025
Proton exchange membrane fuel cells (PEMFCs) are efficient and zero emission energy conversion technology with promising application prospects towards carbon neutrality. The PEMFC's performance is largely...
Exploring the chemical space of ionic liquids for CO2 dissolution through generative machine learning models
September 2025
For discovering uncharted chemical space of ionic liquids (ILs) for CO2 dissolution, a reliable generative framework combining re-balanced variational autoencoder (VAE), artificial neural network (ANN),...
Efficient removal and reusage of acid soluble oil in waste H2SO4 of isobutane alkylation by low-temperature carbonization process
September 2025
Waste H2SO4 from industrial isobutane alkylation, a hazardous thick liquid with a high concentration of acid soluble oil (ASO) impurities, poses challenges in the regeneration process. Herein, an innovative...
Synergistic enhancement of pollutant removal from high-salt wastewater using coagulation-flotation combined process
September 2025
Sufficient treatment of industrial organic wastewater with high salt and large amounts of suspended particulate matter remains a challenge worldwide. In this work, a novel coagulation-flotation combined...
Oxoammonium salt mediated conversion of cyclohexylamine toward cyclohexanone with water as the oxygen source
September 2025
Cyclohexylamine is a key byproduct during the production of cyclohexanone oxime, which is an important bulk chemical in material industry. Here we report a highly efficient approach to oxidize cyclohexylamine...
Screening HFC/HFO and ionic liquid for absorption refrigeration at the atomic scale by the prediction model of machine learning
September 2025
Absorption refrigeration is a highly effective method for utilizing renewable energy, as it can be driven by low-grade heat sources such as industrial waste heat, solar energy, and geothermal energy....
Synergistic coordination-regulated separation of nickel and cobalt from spent Ni(II) and Co(II) bearing choline chloride/ethylene glycol electrolyte: theoretical and experimental investigations
September 2025
Developing efficient and environmentally friendly metal recovery technologies from secondary resources is crucial for enhancing resource utilization and promoting environmental sustainability. However,...
Constructing potassium and hydroxyl co-doped dual-dipole structures on highly active 3D g-C3N4 surfaces for highly boosting photocatalytic hydrogen peroxide production efficiency in pure water
September 2025
Producing hydrogen peroxide (H2O2) through visible-light-driven photocatalytic oxygen reduction in pure water is crucial for sustainable ecological applications but poses significant challenges. It...
Establishing a generalized model for accurate prediction of higher heating values of substances with large ash fractions
September 2025
The higher heating value (HHV) of biomass is a crucial property for design calculations and numerical simulations in bioenergy utilization. However, existing models for HHV prediction faced challenges...