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ZY
Verified CAS / Academic Author2 Decoded Studies

Prof. ZHU Ye

College of Environment, Hohai University, Nanjing 210024, China

Research Publications & English Decoded Briefs

Showing 2 publications
Journal of Environmental Engineering Technology2026DOI: 10.13205/j.hjgc.202604007

Preparation of Solid-Phase Carbon Sources with Different Ratios and Their Carbon Release Properties

Low C/N ratios in wastewater treatment plant effluent necessitate external carbon sources for denitrification, but conventional liquid carbon sources are costly and unstable. This study prepared nine composite solid-phase carbon sources by combining PHBV with natural cellulose materials (straw, sawdust, corncob) at different mass ratios. Dynamic release experiments, DOC analysis, UV-Vis spectroscopy, and EEM fluorescence were employed to characterize carbon release. Results showed that increasing cellulose proportion in corncob-based sources led to release patterns opposite to those of straw- and sawdust-based sources. For straw and sawdust, higher cellulose ratios accelerated release rates, increased total release and duration, reduced aromaticity and molecular weight of released DOM, and promoted protein-like components (tryptophan, tyrosine), indicating enhanced bioavailability. Under identical ratios, corncob-based sources exhibited moderate total release, release durations exceeding 134 h, lower DOM aromaticity and molecular weight, and lower humic substance proportion, indicating superior bioavailability and engineering potential. Among the nine sources, JG5, MX5, and CC4 (PHBV:cellulose mass ratios of 4:5, 4:5, and 1:1, respectively) showed optimal comprehensive performance with low theoretical maximum release, long release periods, and high mass transfer coefficients. EEM-PARAFAC identified three DOM components (protein-like C1, C2; humic-like C3), with protein-like components dominating. This study validates the relationship between cellulose proportion and release kinetics and reveals synergistic regulation of DOM components, offering guidance for designing effective solid-phase carbon sources.

Environmental Chemistry2026DOI: 10.7524/j.issn.0254-6108.2026010502

Molecular Dynamics Simulation in the Mechanism Exploration Research of Environmental Remediation: Current Status and Challenges

Environmental pollution severely impacts ecosystems, human health, and socio-economic development, necessitating efficient removal and detoxification of pollutants. Traditional trial-and-error approaches are inadequate for developing high-performance environmental materials and remediation technologies. Molecular dynamics (MD) simulations have emerged as essential tools for elucidating pollutant removal and toxicity mechanisms at the atomic-molecular level. This review summarizes core computational methods of MD simulations, including force fields, ensemble settings, and enhanced sampling techniques. It then discusses applications in novel adsorbent materials, bioremediation (enzyme catalysis), membrane separation, and membrane fouling, highlighting how MD reveals microscopic interaction mechanisms. Current limitations, such as force field accuracy, timescale constraints, and system size, are critically assessed. Future integration with artificial intelligence (AI) and machine learning is explored for accelerating simulations, improving force field parameterization, and enabling high-throughput screening. The review aims to promote mechanism-based design and diversified development of environmental pollution control materials and remediation technologies.