Volatile Organic Compounds (VOCs) in Heritage Environments and Their Analysis: A Review

Halogenated volatile organic compounds (HVOCs) pose significant bioaccumulative and toxicological risks, necessitating effective strategies for their removal. Here, we show, through a computational study employing density functional theory and coupled cluster methods, the detailed mechanism and kinetic properties of Cl-initiated degradation reactions of 2-chloropropane (2-CP, (CH 3 ) 2 CHCl) and 2-methylpropanoyl halide ((CH 3 ) 2 CHCOX, X = Cl, Br, F). The reaction rate constants of all the channels were calculated by the canonical variational transition state theory (CVT) with the correction of the small curvature tunneling effect (SCT) at 200−1000 K. The subsequent transformation pathways of the major radical products of (CH 3 ) 2 CHCl and (CH 3 ) 2 CHCOCl in the presence of O 2 , NO, and HO 2 radical were investigated. The results elucidate the reaction pathways and rate constants, which are in excellent agreement with the experimental data at 296 K. We further explore the atmospheric implications of these reactions by assessing the atmospheric lifetime (τ) and ozone depletion potential (ODP). Additionally, we delve into the aquatic toxicity and bioaccumulation potential of the reactants and their transformation products. This study not only advances our knowledge of the atmospheric fate of halogenated hydrocarbons but also underscores the importance of considering the environmental and toxicological impacts in the development of HVOC mitigation strategies.

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Defect engineering strategy to enhance the SO2 adsorption performance of Zr-based MOFs materials: potential application for purifying cultural heritage storage environments

Shi,

Zejin,

Wang

et al. 2024

Herit Sci

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In this work, a novel Zr-based MOFs material (D-NH2-UiO-66) with multi-stage pore structure was prepared by introducing defects in NH2-UiO-66 through a ligand regulation strategy, aiming to enhance the SO2 adsorption performance and be applied to purify the cultural relic storage environment. The research demonstrated that the defect engineering effectively increased the pore diameter of the precursor material, leading to the exposure of internal adsorption sites within the framework and the utilization of defect sites, thereby increasing the number of adsorption sites. Moreover, the enlargement of pore diameter facilitated the diffusion of gas molecules within the framework, which enhanced the mass transfer process. Density Functional Theory (DFT) calculations were conducted to deeply investigate the impact of defect structures on the adsorption mechanism. In addition, breakthrough experiments were conducted to assess the adsorption performance of D-NH2-UiO-66 towards SO2, and the material’s potential application in cultural relic storage environments was explored through controlled laboratory tests. The results indicated that this material possesses outstanding SO2 adsorption performance, effectively improving the integrity of paper fibers and enhancing the tensile strength of the paper. This study not only provides new insights into the application of MOFs materials in environmental protection but also offers an effective solution for the preservation of cultural heritage.

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Volatile Organic Compounds (VOCs) in Heritage Environments and Their Analysis: A Review

Cited by 4 publications

References 102 publications

Electronic nose investigation and antioxidant assessment of CHARMS™ skincare cosmetics toward skin tone improvement

Electronic nose investigation and antioxidant assessment of CHARMS™ skincare cosmetics toward skin tone improvement

Quantum Chemistry Study on Cl-Initiated Reactions of 2-Chloropropane and 2-Methylpropanoyl Halogen (Cl, Br, F): Mechanism, Kinetics, and Atmospheric Implications

Defect engineering strategy to enhance the SO2 adsorption performance of Zr-based MOFs materials: potential application for purifying cultural heritage storage environments

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