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JOURNAL OF HAZARDOUS MATERIALS · 2023 · IF 13.6

New insights into thermal desorption remediation of pyrene-contaminated soil based on an optimized numerical model

Shuai Zhang,Jiating Zhao,Lizhong Zhu

Thermal desorption (TD) is known as an effective technique to remediate PAHs-contaminated sites. However, effectively removing PAHs using TD while saving time, and energy, and minimizing soil damage remains a challenge. In this study, we examined the combined effects of various factors on the removal efficiency of pyrene (PYR) by TD and developed an optimal numerical model based on conducting a series of soil experiments. The results showed that temperature (T) and time (t) promoted the desorption of PYR, while water ( S w ) and organic matter ( f om ) were just the opposite. Besides, water and organic matter had a synergistic effect proportionally. It was found that adjusting the soil-water ratio (which can be controlled by organic matter) maximized the desorption rate of PYR. An ideal S w / f om 1.56 and a minimized recommended temperature (173 °C) were proposed based on the model. Finally, the efficacy of the optimized scheme was validated in real-world site soil. These findings not only mechanistically revealed the desorption behavior of PYR under the influence of various factors, but also provided an optimized scheme for efficiently removing PAHs using TD, thereby accelerating the remediation process and reducing energy consumption. The modeling ideas and conclusions obtained may be applicable to other PAHs, guiding the effective remediation of PAHs-polluted sites.

研究领域: 环境科学 · 污染治理
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CHEMOSPHERE · 2022 · IF 8.943

Identification of mercury species in coal combustion by-products from power plants using thermal desorption-atomic fluorescence spectrometry on-line coupling system

Kai-Qiang He,Xiao-Ru Zhang,Yuan-Peng Li,Xue-Lei Duan,Yan Li,Yang-Hong Jiang,Xiao-Dong Yuan,Ke-Gang Zhang,Chun-Gang Yuan

Along with the environmental protection policies becoming strict in China, the air pollution control devices (especially selective catalytic reduction (SCR)) are widely equipped in coal-fired power plants. The installation and run of these devices will inevitably affect mercury (Hg) species distribution in coal fired by-products such like fly ash (FA) and gypsum. In this work, a new on-line coupling system based on atomic fluorescence spectrometry (AFS) with a home-made chromatographic workstation was successfully developed to identify Hg species through thermal programmed desorption (TPD). The influences of matrix, furnace temperature, and carrier gas flow on analytical performance were investigated and the parameters were optimized. The FA and gypsum samples from coal-fired power plants equipped with SCR were collected and the mercury species were analyzed by the developed coupling system. HgCl 2 and HgO were the main species in FA, while Hg 2 Cl 2 and HgO were the main species in gypsum. All of Hg species in the studied FA and gypsum samples were released below 400 °C. A sequential extraction procedure was applied to further verify the operational Hg species including mobile and non-mobile fractions in FA and gypsum samples. This study demonstrated that AFS coupled with TPD procedure was an effective method to analyze Hg species in coal combustion by-products from power plants.

研究领域: 环境科学 · 能源与燃料
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APPLIED THERMAL ENGINEERING · 2022 · IF 6.465

Thermal desorption characteristics of the adsorbate in activated carbon based on a two-dimensional heat and mass transfer model

Feifan Huang,Weijun Liu,Shaoai Chen,Zhongxun Tian,Jingtao Wei

Thermal desorption of adsorbate in activated carbon is the main part in the thermal regeneration process of spent activated carbon, and previous studies have carried out a series of numerical simulations on it. However, since activated carbon is a porous medium, the heat and mass transfer in activated carbon is different from that in solid. In this paper, a multiphase model of heat and mass transfer in porous media was constructed to study the thermal desorption characteristics of adsorbate in spent activated carbon. In addition, a simplified evaporation rate formula is proposed in this paper, and the agreement between the simulation and the experimental results is verified. When the surroundingtemperature is less than 673.15 K, increasing the surrounding temperature has a significant effect on reducing the thermal desorption time of the adsorbate. Using activated carbon with a thermal conductivity of 5 W / m ∙ K can save about 40% of energy consumption. The model established in this paper can accurately simulate the thermal desorption of adsorbate in activated carbon, which is helpful to deeply understand the mechanism of activated carbon thermal regeneration. In engineering practice, the model can provide technical support for optimizing the thermal regeneration process of spent activated carbon and reducing energy consumption in a targeted manner.

CAS / MDL: 71-43-2 2158322-33-7
研究领域: 环境科学 · 化学工程
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ENVIRONMENTAL POLLUTION · 2024 · IF 7.6

Predicting thermal desorption efficiency of PAHs in contaminated sites based on an optimized machine learning approach

Shuai Zhang,Shuyuan Wang,Jiating Zhao,Lizhong Zhu

Thermal desorption (TD) remediation of polycyclic aromatic hydrocarbon (PAH)-contaminated sites is known for its high energy consumption and cost implications. The key to solving this issue lies in analyzing the PAHs desorption process, defining remediation endpoints, and developing prediction models to prevent excessive remediation. Establishing an accurate prediction model for remediation efficiency, which involves a systematic consideration of soil properties, TD parameters, and PAH characteristics, poses a significant challenge. This study employed a machine learning approach for predicting the remediation efficiency based on batch experiment results. The results revealed that the extreme gradient boosting (XGB) model yielded the most accurate predictions (R 2  = 0.9832). The importance of features in the prediction process was quantified. A model optimization scheme was proposed, which involved integrating features based on their relevance, importance, and partial dependence. This integration not only reduced the number of input features but also enhanced prediction accuracy (R 2  = 0.9867) without eliminating any features. The optimized XGB model was validated using soils from sites, demonstrating a prediction error of less than 30%. The optimized XGB model aids in identifying the most optimal conditions for thermal desorption to maximize the remediation efficiency of PAH-contaminated sites under relative cost and energy-saving conditions.

CAS / MDL: 50-32-8 85-01-8 129-00-0
研究领域: 环境科学 · 污染修复 · 数据科学
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SCIENCE OF THE TOTAL ENVIRONMENT · 2022 · IF 10.753

Effects of thermal desorption on ecotoxicological characteristics of heavy petroleum-contaminated soil

Sa Wang,Fenglian Cheng,Zhiguo Shao,Bo Wu,Shuhai Guo

This study comprehensively evaluates the ecotoxicity of high-concentration heavy petroleum (HCHP)-contaminated soil before and after thermal desorption (TD) remediation at different temperatures and times. The results showed that the detoxification of contaminated soil was effectively achieved by extending the remediation duration at 400–600 °C. After treatment at 400 °C for 60 min, the toxicological indicators including bioluminescence EC 50 (acute toxicity), seed germination ratio ( Gr ) and plant biomass of Brassica juncea (subacute toxicity), and diversity of the microbial community (chronic toxicity) reached a maximum. The value of the SOS-Induction Factor ( SOSIF ), characterizing genotoxicity was below 1.5, indicating that it was non-toxic. Pearson's correlation analysis illustrated that the water-soluble fraction (WSF), ALK1–3 and ARO1–3 of petroleum hydrocarbons were the primary sources of ecotoxicity. Notably, although the total ratio of petroleum removed from the soil reached 87.26 ± 4.38 %–98.69 ± 1.61 % under high-temperature thermal desorption (HTTD, 500–600 °C), the ecotoxicity was not lower than that at 400 °C. The pyrolysis products of petroleum macromolecules and extreme changes in soil properties were the leading causes of soil ecotoxicity following HTTD. The inconsistency between the removal of petroleum pollutants and ecological health risks reveals the significance of soil ecotoxicological assessments for identifying TD remediation endpoints and process optimization.

研究领域: 环境科学 · 土壤学 · 生态毒理学
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ANALYST · 2025 · IF 3.3

Identification of plasticizers using thermal desorption dielectric barrier discharge ionization mass spectrometry

Xiaokang Guan,Xue You,Renato Zenobi,Qiao Lu

Plasticizers, which are extensively utilized in the manufacturing of plastic products, have garnered significant attention due to their potential toxicity and the consequent health and environmental risks they pose. Traditional methods for detecting plasticizers, such as gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS), are often time-consuming and require complex sample preparation. In response to these challenges, this study introduces an innovative approach for the rapid and sensitive identification of seven common plasticizers using thermal desorption dielectric barrier discharge ionization mass spectrometry (TD-DBDI-MS). The proposed technique significantly reduces background interference by employing nitrogen as the discharge gas, thereby enabling the detection of characteristic quasi-molecular ions ([M+H]+) and their fragments, which are crucial for structural elucidation. The method exhibits remarkable sensitivity, with a limit of detection as low as 0.1 ppm for diethyl phthalate and a linear dynamic range of orders of magnitude. Furthermore, it allows for expedited screening of various plastic products, including cling wrap, package bags, and centrifuge tubes, with each sample analyzed in less than 30 seconds. This study underscores the efficacy of TD-DBDI-MS as a rapid, sensitive, and user-friendly methodology for the preliminary screening of plasticizers in a wide range of materials.

研究领域: 环境科学 · 分析化学
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JOURNAL OF CHROMATOGRAPHY A · 2015 · IF 4.169

Filtration efficiency validation of glass wool during thermal desorption–gas chromatography–mass spectrometer analysis of fine atmospheric particles

Liang Hao,Dapeng Wu,Kun Ding,Hu Meng,Xiaohui Yan,Yafeng Guan

Thermal desorption–gas chromatography–mass spectrometer (TD–GC–MS) technique has been widely used for analysis of semi-violate organic compounds on atmospheric aerosol . To prevent GC column from being damaged by fine solid particles during thermal desorption process, glass wool as filter mat is indispensible. However, the filtration efficiency has never been validated. In this paper, the most penetrating particle size and the minimum packing thickness of glass wool were calculated based on classical filtration theory. According to the calculation results, packing parameters of glass wool were optimized experimentally using silica particles. It is demonstrated that glass wool with a packing thickness of 30   mm, solidity of 0.039 can effectively block these fine solid particles from penetrating at normal thermal desorption conditions ( T   =   300   °C, u   =   0.4–4   cm/s). Finally, the filtration efficiency of glass wool was further confirmed with real PM2.5 samples. Under the validated filtration condition, TD–GC–MS was applied for the analysis of non-polar organic compounds on real PM2.5 samples, and very good results were obtained.

研究领域: 环境科学 · 分析化学
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INTERNATIONAL JOURNAL OF MASS SPECTROMETRY · 2023 · IF 1.8

Mass spectrometry analysis of drugs using an integrated thermal desorption corona discharge ionization device

Qin Yang,Shenshu Chen,Yaqing Li,Taifeng Jiao,Lianghong Cheng,Quan Yu,Xinqiong Lu

In this study, we introduce the design, characterization, and application of an integrated thermal desorption corona discharge ionization (TD-CDI) device, which was developed for direct mass spectrometry (MS) analysis of drugs in solid or liquid samples. The structure and operational parameters of the TD module were optimized through simulation and experimental investigations. For the CDI module, a hollow needle was used as the discharge electrode and sample inlet , allowing self-aspiration and efficient ionization of the desorbed samples. The TD-CDI device was tested and characterized using different mass spectrometers , exhibiting satisfactory stability and quantitative performance. Owing to its compact structure, it can be coupled to a miniature MS instrument to implement rapid identification of various drugs in urine solutions.

研究领域: 分析化学 · 医学检测 · 仪器科学
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Effective remediation of benzo [a] anthracene contaminated soil by combination of low-temperature thermal desorption and advanced oxidation

Yangyang Ma,Chiquan He,Linlin Yang,Xiaoyan Liu,Feifei Wang

Benzo [a] anthracene (BaA), a highly toxic tetracyclic polycyclic aromatic hydrocarbon, is frequently detected in soils worldwide. Traditional high-temperature thermal desorption and unactivated advanced oxidation process (AOP) are either energy-intensive or inefficient due to slow pollutant degradation. This study presented an innovative and effective remediation approach for BaA contaminated soil by combining low-temperature thermal desorption with AOP. The combined method utilizes heat from low-temperature thermal desorption to activate sodium persulfate, thereby enhancing BaA degradation. The results demonstrated that the combined low-temperature thermal desorption and AOP achieved an impressive BaA removal efficiency of up to 92.7 % at 60 °C and 90 °C, surpassing the efficiency of individual treatments. The primary reactive oxygen species responsible for BaA degradation were identified as sulfate radicals and hydroxyl radicals with both contributing nearly equally to the process. The study identified the intermediates formed during BaA degradation and proposed a degradation pathway. The intermediates had lower boiling points and reduced toxicity compared to BaA, indicating the mineralization process was effective in reducing environmental risks. Additionally, the addition of 3 mL methanol improved BaA removal efficiency to 62.2 % from 41.9 % in the control group without methanol, indicating the addition of methanol in AOP significantly improved BaA removal by enhancing desorption from soil particles. This research underscores the potential of the combined low-temperature thermal desorption and AOP as a sustainable, energy-efficient, and cost-effective remediation technology for soils contaminated with polycyclic aromatic hydrocarbons, offering a promising solution for soil remediation.

CAS / MDL: 3317-61-1
研究领域: 环境科学 · 土壤修复 · 化学工程
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Journal of Environmental Sciences · 2018 · IF 3.12

Hierarchical Ag-SiO2@Fe3O4 magnetic composites for elemental mercury removal from non-ferrous metal smelting flue gas

Yongpeng Ma,Bailong Mu,Xiaojing Zhang,Hongzhong Zhang,Haomiao Xu,Zan Qu,Li Gao

Hierarchical Ag-SiO 2 @Fe 3 O 4 magnetic composites were selected for elemental mercury (Hg 0 ) removal from non-ferrous metal smelting flue gas in this study. Results showed that the hierarchical Ag-SiO 2 @Fe 3 O 4 magnetic composites had favorable Hg 0 removal ability at low temperature. Moreover, the adsorption capacity of hierarchical magnetic composite is much larger than that of pure Fe 3 O 4 and SiO 2 @Fe 3 O 4 . The Hg 0 removal efficiency reached the highest value as approximately 92% under the reaction temperature of 150°C, while the removal efficiency sharply reduced in the absence of O 2 . The characterization results indicated that Ag nanoparticles grew on the surface of SiO 2 @Fe 3 O 4 support. The large surface area of SiO 2 supplied efficient reaction room for Hg and Ag atoms. Ag–Hg amalgam is generated on the surface of the composites. In addition, this magnetic material could be easily separated from fly ashes when adopted for treating real flue gas, and the spent materials could be regenerated using a simple thermal-desorption method.

研究领域: 环境科学 · 材料科学
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MICROCHEMICAL JOURNAL · 2025 · IF 5.1

High-throughput determination Methodology of Multiple pesticide residues in surface water and its application in environmental risk assessment

Yifei Sun,Hang Su,Wei Xiong,Luhong Wen

Water is essential for maintaining human health and ecosystem stability, as it forms the foundation for biological processes. Monitoring pesticides in environmental water remains a critical area of research due to the significant importance of water quality. In this study, a lab-made thermal desorption split-type dielectric barrier discharge ionization source (TD-ST-DBDI) platform was developed, enabling the rapid and effective detection of surface water contaminants, such as amides, triazines, and carbamate pesticides, under environmental conditions without the need for complex pretreatment. Compared to conventional laboratory methods, this approach offered enhanced convenience and efficiency in analysis. Using the established quantitative method, we achieved limit of detections (LODs) ranging from 0.03 to 3 μg/L, limit of quantifications (LOQs) ranging from 0.10 to 10 μg/L, with relative standard deviations (RSDs) of less than 9 %, and linear correlation coefficients (R 2 ) of 0.99 for these pesticides. To track contamination trends over time, a multi-indicator risk assessment model incorporating various factors was developed to evaluate the potential ecological and human health risks of water pollution, revealing that pesticide pollution risks fluctuated over time. This finding provides new insights on monitoring large-scale surface water and exploring the impact of exposure to chemical pollutants on human health.

研究领域: 环境科学 · 分析化学
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Analytical Methods · 2018 ·Vol. 10 ·期 40 ·4894-4901 · IF 2.073

Evaluation of the adsorption and desorption properties of zeolitic imidazolate framework-7 for volatile organic compounds through thermal desorption-gas chromatography

Ya-Ting Zhao,Li-Qing Yu,Xin Xia,Xin-Yu Yang,Wei Hu,Yun-Kai Lv

The adsorption mechanism and desorption properties of volatile organic compounds (VOCs) in a zeolitic imidazolate framework (ZIF-7) were studied by on-line thermal desorption-gas chromatography (TD-GC), and a high efficiency method for determination of harmful indoor gas levels has been developed. The loading volume, loading flow rate and desorption temperature were optimized. Additionally, ZIF-7 has been proved to be an effective adsorbent and its adsorption performance is superior to that of commercial Tenax TA and activated carbon. It has been proved that ZIF-7 is an ideal adsorbent for VOCs. It was suggested that there are hydrophobic interactions, π–π stacking effects, “gate-opening” effects and molecular size effects between adsorbates and ZIF-7. Therefore, the developed ZIF-7-based TD-GC method offered an excellent performance with a detection limit of 1.22–2.38 ng (S/N = 3), a quantification limit of 4.05–7.94 ng (S/N = 10), and a good linearity (R2 = 0.99), and relative standard deviation values (RSD, n = 5) were found to be in the range of 1.69–7.97%, and tube-to-tube reproducibility for three parallel tubes was 8.01%.

CAS / MDL: 51-17-2 5970-45-6
研究领域: 材料科学 · 环境科学
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