📄 Category

chemistry

1695 papers

📄 chemistry

Substituent-controlled phenoxy radical stabilization and HAT thermodynamics in small phenolic antioxidants: an ωB97X-D/CPCM molecular modeling study

This study employs ωB97X-D molecular modeling to demonstrate that hydrogen-atom transfer is the dominant antioxidant mechanism across various solvents for eleven phenolic compounds, with thermodynamic efficiency governed by substituent patterns that enhance phenoxy radical stabilization through reduced spin localization and effective π-delocalization.

Frans Augusthinus Asmuruf, Yohanis Irenius Mandik, Yuliana Ruth Yabansabra, Sriyanto Sriyanto, Diana Abulais, Eva Susant (…)2026-08-26
📄 chemistry

Conceptual Design of Corrugated Helical Spherical Zeolite Pellets for Improving Hydraulic Conductivity and Phosphate Removal

This study demonstrates that corrugated helical zeolite pellets significantly outperform conventional smooth spherical pellets by increasing hydraulic conductivity by 55%, reducing pressure drop by 35%, and improving phosphate removal efficiency by 25% through geometric optimization alone.

Mary Ann Del Mundo, Agnes Filomena Wark, Albert Jubilo2026-08-26✓ Author reviewed ⓘ
📄 chemistry

Iron-modified calcinated coconut fiber biochar for simultaneous removal of copper and zinc: optimization, production cost assessment, and machine Learning modeling

This study demonstrates that iron-modified biochar derived from coconut fiber in Vietnam effectively removes copper and zinc from wastewater through enhanced surface area and mineralization, achieving high adsorption capacities that are successfully predicted and mechanistically explained by machine learning models.

Xuan Thanh Bui, Thuy Trang Khuat, Phacharapol Induvesa, Thuy Chung Nguyen2026-08-26
📄 chemistry

A new strategy to prepare an activated adsorbent by water treatment plant sludge for Amoxicillin removal: optimization, characterization, isotherm, and kinetics studies

This study demonstrates that HCl-activated drinking water treatment sludge serves as an effective, reusable adsorbent for removing amoxicillin from water under optimized conditions, with adsorption behavior best described by the Langmuir isotherm and dominated by physical interactions.

Farzad Hashemzadeh, Maryam Ariannezhad, Seyed Hamed Derakhshandeh, Mohammad Ali Niroomand2026-08-26
📄 chemistry

Hydrogen Bonding-Driven Structural and Mechanical Regulation of Poly(ε-caprolactone)-Based Polyurethane with Poly(glycolic acid)

This study demonstrates that covalently incorporating a small amount of poly(glycolic acid) into poly(ε-caprolactone)-based polyurethanes significantly enhances their mechanical strength and toughness while lowering the shape memory transition temperature to near body temperature, achieved through hydrogen bonding-driven structural regulation and strain-induced crystallization.

Han Wu, Wenjie Pan, Yuan Gao, Mingyang Wang, Zhenbo Ning, Jiang Ni2026-08-26
📄 chemistry

Mechanisms of Lead Adsorption onto Keratin Nanoparticles from Human Hair and Sheep Fur Using Statistical Physics Analysis

This study demonstrates that keratin-based nanoparticles derived from human hair and sheep fur serve as efficient, sustainable biosorbents for removing lead ions from aqueous solutions through an endothermic, spontaneous chemisorption process driven by multi-docking interactions with surface functional groups.

Abdulwasiu Olawale Salaudeen, Yemisi Ajoke Olawore, Hajara Yakubu2026-08-26
📄 chemistry

Simultaneous Estimation of LDF Mass Transfer Coefficients and Multicomponent Isotherm Parameters from Breakthrough Curves Using a Two-Stage Strategy

This study demonstrates that a two-stage optimization strategy for the simultaneous estimation of LDF mass transfer coefficients and multicomponent isotherm parameters from breakthrough curves significantly outperforms sequential and single-stage methods, yielding substantially lower errors and improved agreement with experimental data.

Seokhwan Jin, Jae Hyeon Park, Hyeonseok Jin, Chan Hyun Lee, Seongbin Ga2026-08-26
📄 chemistry

Synthesis and Process Optimization of Poly(ethylene oxalate) by Melt Polycondensation Catalyzed by Anhydrous Zinc Acetate

This study demonstrates that anhydrous zinc acetate serves as an effective catalyst for the melt polycondensation of poly(ethylene oxalate) from dimethyl oxalate and ethylene glycol, yielding high-molecular-weight, thermally stable, and lightly colored polymer under optimized conditions while outperforming the conventional tetrabutyl titanate catalyst.

MingHui Li, WuShan Sun, Shi Luo, QingYin Wang, GongYing Wang2026-08-26
📄 chemistry

Mechanical properties and stress-strain behavior of alkali-activated concrete incorporating sintered MSWI fly ash

This study investigates the mechanical properties, stress-strain behavior, and hydration mechanisms of alkali-activated concrete incorporating sintered municipal solid waste incinerator (MSWI) fly ash and metakaolin, identifying an optimal mix proportion that enhances performance while developing a modified constitutive model to guide sustainable waste utilization in construction.

Yitong Zhou, Xin Xia, Honggang Zhang, Shuyang Li, Sheng He2026-08-26