Guoqing Chen , Yongsheng Guan , Jiaxun Liu , Xiangxin Han , Jianguo Liu
{"title":"Molecular structural evolution during coal oxidation based on in situ FTIR and Raman spectroscopy","authors":"Guoqing Chen , Yongsheng Guan , Jiaxun Liu , Xiangxin Han , Jianguo Liu","doi":"10.1016/j.jaap.2025.107209","DOIUrl":"10.1016/j.jaap.2025.107209","url":null,"abstract":"<div><div>The elucidation of surface functional groups and microcrystalline structures in coal is fundamental for exploring the advanced coal conversion processes and elaborate pollutant formation mechanisms. In this work, in situ Fourier transform infrared (FTIR) and in situ Raman spectroscopy were employed to characterize the evolution of surface functional groups and microcrystalline structures throughout the coal oxidation process. The results indicate that oxidation causes the decomposition of -OH and -COOH, an increase in C-O functional group content, and the cleavage of C<img>C bonds at high temperatures. As the temperature rises, aromaticity parameters (<em>f</em><sub><em>a</em></sub>, <em>I</em>) and condensation degree (<em>DOC</em>) generally increase, while the structural parameter ‘<em>C</em>’ for oxygen-containing groups decreases. Furthermore, Raman parameters show an increase in A<sub>D</sub>/A<sub>G</sub> (proportion of large disordered aromatic rings) and a decrease in A<sub>(GR+VL+VR)</sub>/A<sub>D</sub> (relative content of 3–5 ring aromatic hydrocarbons), which corroborate the FTIR aromaticity parameters. These results suggest that during the oxidation process, condensation reactions and aromatization of aromatic rings occur, resulting in a general rise in aromaticity. In addition, the anthracite HN coal undergoes significant graphitization at 500°C. Notably, during the comminution process, mechanical forces introduce an increase in -OH, C<img>C, and C<img>O content on coal surfaces, while C-O content decreases. Additionally, the reduction in particle size partially inhibits coal oxidation reactions in the initial stages, whilst accelerates the maturation of the aromatic system and the trend toward graphitization. These findings offer a theoretical foundation for analyzing the homogeneous and heterogeneous reduction mechanisms of NOx, and developing low-NOx combustion technologies.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"191 ","pages":"Article 107209"},"PeriodicalIF":5.8,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144222542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jérémy Jacob , Frédéric Delarue , Yoann Copard , Claude Le Milbeau , Laurent Grasset , Patrick Brockmann
{"title":"Unravelling the molecular significance of Rock-Eval® S2 pyrograms from soil and geological samples","authors":"Jérémy Jacob , Frédéric Delarue , Yoann Copard , Claude Le Milbeau , Laurent Grasset , Patrick Brockmann","doi":"10.1016/j.jaap.2025.107211","DOIUrl":"10.1016/j.jaap.2025.107211","url":null,"abstract":"<div><div>Rock-Eval® pyrolysis is dedicated to rapidly determining the quality and quantity of organic matter (OM) in environmental and geological samples. It has been proposed that detailed examination of S2 pyrograms acquired from a Flame Ionization Detector during the programmed pyrolysis of samples can provide complementary information to classical Rock-Eval® parameters. Previous mathematical deconvolution of the S2 pyrogram has been suggested to semi-quantify distinct thermal fractions that are assumed to be distinct in terms of chemical and/or biological lability. To date, there is no direct molecular support for such an assumption. This work proposes a methodological approach based on coupling a temperature-programmed pyrolyser to a standard mass spectrometer (Py-MS). A set of reference soil samples was analysed. The set was completed by dissolved OM, source rock and coal samples in order to test the relevance of this methodological approach to various OM types. Data analysis was based on Tpeak values defined at temperatures of maximum <em>m/z</em> fragment production during the temperature ramp. These Tpeak values were grouped into clusters of distinct <em>m/z</em> values for which a chemical attribution is proposed owing to an extensive literature survey. For the soil samples, all the pyrolytic fractions described in the literature from mathematical deconvolution of the S2 pyrogram were identified except for the most thermolabile fraction (280–320 °C). Fragments with Tpeak values between 330 and 390 °C were mainly attributed to proteins, lignin and carbohydrates. Tpeak values found in the 391–499 °C range corresponded to <em>m/z</em> fragments attributed to aliphatics, lignin and aromatics while fragments with Tpeak values higher than 480 °C were assigned solely to aromatics. In all samples, these fragments displayed a singular pattern of decreasing <em>m/z</em> with increasing temperature, the significance of which remains to be fully elucidated. This preliminary study provides key methodological guidelines for re-exploring Py-MS applications to disentangle the chemical nature of OM.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"191 ","pages":"Article 107211"},"PeriodicalIF":5.8,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144222541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mengyuan Yang , Zhaohui Liu , Bolan Chen , Huiping Liu , Huiying Liao
{"title":"Investigation of thermal hazard and decomposition pathways of ammonium persulfate by experiments and DFT simulation","authors":"Mengyuan Yang , Zhaohui Liu , Bolan Chen , Huiping Liu , Huiying Liao","doi":"10.1016/j.jaap.2025.107204","DOIUrl":"10.1016/j.jaap.2025.107204","url":null,"abstract":"<div><div>Ammonium persulfate (APS) is a very important peroxide that is widely used in many industries. However, if it is subjected to high temperatures during storage and transportation, it may undergo a violent thermal decomposition reaction, leading to accidents. Therefore, studying the thermal effect of its thermal decomposition and the corresponding decomposition mechanism is helpful for predicting and controlling the occurrence of the thermal decomposition reaction, thereby reducing the risk of accidents. In this work, thermal decomposition characteristics of APS were studied using thermogravimetric analysis - differential scanning calorimetry (TG-DSC), differential scanning calorimetry (DSC) and accelerating rate calorimeter (ARC). The solid and gaseous products of APS decomposition were investigated using fourier transform infrared spectroscopy (FTIR) and thermogravimetric analysis - fourier transform infrared spectroscopy (TG-FTIR). Finally, thermal decomposition pathways were explored using density functional theory (DFT) method combing with the experimental study. The results indicated that APS decomposition was divided into two stages. The fist step was the rupture of APS peroxide bond (O-O) at about 200<span><math><mrow><mspace></mspace><mi>℃</mi></mrow></math></span>, which was an exothermic self-catalytic reaction, and the products were O<sub>2</sub> and (NH<sub>4</sub>)<sub>2</sub>S<sub>2</sub>O<sub>7</sub>. The second step was (NH<sub>4</sub>)<sub>2</sub>S<sub>2</sub>O<sub>7</sub> decomposition at the temperature of 300–400 <span><math><mi>℃</mi></math></span>, which was an endothermic reaction, and the final decomposition products were NH<sub>3</sub>, N<sub>2</sub>, SO<sub>2</sub> and H<sub>2</sub>O. According to the ARC test results and the risk matrix assessment criteria, APS was classified as level II conditional acceptable hazard. This work provides useful information for safe production, storage and use of APS in the practical chemical process.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"191 ","pages":"Article 107204"},"PeriodicalIF":5.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144279513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Songwan Wang , Guangji Hu , Husnain Haider , Jianbing Li
{"title":"Co-pyrolysis of oil-contaminated shoreline sediment with harmful macroalgae: Synergistic resource recovery and techno-economic analysis","authors":"Songwan Wang , Guangji Hu , Husnain Haider , Jianbing Li","doi":"10.1016/j.jaap.2025.107205","DOIUrl":"10.1016/j.jaap.2025.107205","url":null,"abstract":"<div><div>The cleanup of oil-contaminated shoreline sediment (OCSS) and species due to nearshore oil spills has been a challenge. This study investigated the co-pyrolysis treatment of OCSS and <em>Enteromorpha prolifera</em> (EP) for synergistic resource recovery. The effects of co-pyrolysis treatment at different OCSS:EP ratios and temperature on the removal of petroleum hydrocarbons and resource recovery were investigated, and the co-pyrolysis products were characterized to explore the synergistic mechanism. The concentrations of petroleum hydrocarbons in the pyrolysis solids were significantly lower than the relevant soil pollution standard when the treatment temperature was > 400 ℃. The product yield results show that co-pyrolysis at low temperatures (350–400 ℃) had a significant synergistic effect on the pyrolysis oil yield. The optimal pyrolysis oil yield of 22.68 % was achieved at OCSS:EP = 1:1 (OE11) and 400 ℃, increased by 5.19 % compared with the theoretical value. Kinetic analysis shows that the co-pyrolysis lowered the optimal reaction temperature from 450°C to 400°C. The product characterization results indicate that the oxygenated compounds (aldehydes, ketones, phenols) and C/H ratio of the OE11 pyrolysis oil were significantly reduced, leading to an increased higher heating value of 31.14 MJ/kg. The probabilistic techno-economic analysis shows that the co-pyrolysis treatment had a 90.4 % probability of obtaining a positive net present value (NPV), with an average value of 22,756,047 CNY over 10 years, whereas conventional landfilling treatments resulted in negative NPVs. This study presents a sustainable resource recovery approach for the co-treatment of oil-contaminated sediments and species in shoreline cleanup.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"191 ","pages":"Article 107205"},"PeriodicalIF":5.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144231511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jorge Poblete , Romel Jiménez , Frederik Ronsse , Stef Ghysels , Luis E. Arteaga-Pérez
{"title":"Understanding limonene synthesis from waste tire pyrolysis through a kinetics-based perspective","authors":"Jorge Poblete , Romel Jiménez , Frederik Ronsse , Stef Ghysels , Luis E. Arteaga-Pérez","doi":"10.1016/j.jaap.2025.107207","DOIUrl":"10.1016/j.jaap.2025.107207","url":null,"abstract":"<div><div>The pyrolysis of mining truck waste tires (MTWT) produces a multicomponent liquid abundant in limonene and its derivatives, including cymene and single-ring aromatics, among others. Nonetheless, although crucial for enhancing the chemical valorization of MTWT, the reaction pathways for the synthesis and subsequent transformation of pyrolytic limonene remain insufficiently comprehended. This study introduces an innovative kinetic methodology for analyzing limonene production during MTWT pyrolysis. The study combines thermogravimetric analysis (TGA) and analytical pyrolysis (Py-GC-MS) to analyze the pyrolytic behavior of MTWT and its constituent polymers, natural rubber (NR), butadiene rubber (BR), and styrene-butadiene rubber (SBR). The results of Py-GC-MS experiments showed that limonene is generated from natural rubber after C-C cleavage of polymeric chains followed by (i) an intramolecular cyclization or (ii) a Diels-Alder reaction of two isoprene units. Thereafter, limonene undergoes secondary reactions to generate cycloalkenes and aromatics. Our findings show that the formation of isoprene from the cleavage reaction of NR has the lowest activation energy (53.3 kJ/mol) within the reaction mechanism, while limonene conversion into tertiary products like aromatics or cycloalkenes requires higher activation energies (219 kJ/mol). This result suggests that catalytic materials, higher residence times or lower reaction temperatures are required to control product distribution. The kinetic model presented here can be used in future ex-situ catalytic pyrolysis studies to unravel limonene conversion into higher-value chemicals.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"191 ","pages":"Article 107207"},"PeriodicalIF":5.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144203396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Riccardo Gallorini , Luca Rosi , Anna Maria Raspolli Galletti , Domenico Licursi , Claudia Antonetti
{"title":"Pyrolysis of Posidonia oceanica fibrous spheres: A comparative evaluation of conventional and microwave-assisted pyrolysis","authors":"Riccardo Gallorini , Luca Rosi , Anna Maria Raspolli Galletti , Domenico Licursi , Claudia Antonetti","doi":"10.1016/j.jaap.2025.107206","DOIUrl":"10.1016/j.jaap.2025.107206","url":null,"abstract":"<div><div><em>Posidonia oceanica</em> debris naturally accumulates on the coastline, negatively affecting the pleasantness of the beaches, whilst it could be advantageously exploited as a source of novel biofuels and bioproducts. In this work, grinded <em>Posidonia oceanica</em> fibrous spheres have been subjected to thermal pyrolysis, comparing conventional and microwave technologies, working under mild similar conditions, aimed at the integrated production of biochar, bio-oil and syngas. The microwave heating favored the cracking reactions, thus promoting the aromatization path, even more so by including a dephlegmator unit. On the other hand, conventional pyrolysis system reduces such degradation reactions, as demonstrated by the chemical composition of the corresponding bio-oil, which includes more aliphatic compounds. Remarkably, the use of the same biochar as both a microwave absorber and a reducing agent was effective for improving the selective syngas production (63 wt%), mainly composed of H<sub>2</sub> and CO (46 and 53 vol%, respectively). The production of higher quality syngas with microwave technology is due to the occurrence of gasification reactions, through the formation of local hot spots. LCA data processing was specifically considered and developed, showing that on the laboratory scale the environmental impact of both technologies is similar, whereas on larger scale microwave-assisted pyrolysis still presents some drawbacks, mainly those associated with energy supply/management. In this context, some specific solutions were provided for making microwave-assisted pyrolysis more competitive with the conventional one, already in the next future, which is a desirable aspect to promote the intensification development of this technology.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"191 ","pages":"Article 107206"},"PeriodicalIF":5.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144222538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Junhao Guo , Caihua Yang , Yutong Wang , Guozhu Liu
{"title":"Large-scale reactive molecular dynamics research on pyrolysis mechanics of spiro[4.5]decane","authors":"Junhao Guo , Caihua Yang , Yutong Wang , Guozhu Liu","doi":"10.1016/j.jaap.2025.107208","DOIUrl":"10.1016/j.jaap.2025.107208","url":null,"abstract":"<div><div>Spiro-fuels, as the derivative of cyclic ketones obtained from lignocellulose, are promising alternative biofuels. In this work, the overall pyrolysis mechanism of spiro[4.5]decane, the most representative spiro-fuel, is revealed by large-scale reactive molecular dynamic simulations. The pyrolysis of spiro[4.5]decane can be divided into three stages: the decomposition of spiro[4.5]decane begins with the ring-opening in one of the two rings, leading to four representative alicyclic intermediates firstly. Then these intermediates further decompose and form a series of small molecular products through allyl radicals. Finally, the generated products further react and gradually form soot precursors. It is also found that the reaction temperature affects the initial pathways and intermediate distributions, and ultimately change the product distributions. In addition, the apparent activation energy of spiro[4.5]decane pyrolysis is also calculated, and the result (259 kJ/mol) suggests an activity close to JP-10.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"191 ","pages":"Article 107208"},"PeriodicalIF":5.8,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144222539","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Soumyamol Panthaplackal Bhaskaran , Parvathy Chandrababu , Vijayalakshmi K. Periya , Deepthi Thomas , Jobin Cyriac , Rajeev Raghavan
{"title":"The catalytic effect of nano Fe, Co, Ni, Cu and Zn oxides on the thermal decomposition of ammonium perchlorate-based molecular perovskite (DAP-4)","authors":"Soumyamol Panthaplackal Bhaskaran , Parvathy Chandrababu , Vijayalakshmi K. Periya , Deepthi Thomas , Jobin Cyriac , Rajeev Raghavan","doi":"10.1016/j.jaap.2025.107188","DOIUrl":"10.1016/j.jaap.2025.107188","url":null,"abstract":"<div><div>Energetic molecular perovskites are unique high-energy systems with good thermal stability and energetic parameters. For practical applications in explosives and propellant formulations, the ignition delay of these systems has to be reduced by using suitable catalysts. In this study, 1,4-diazabicyclo [2.2.2] octane-1,4-diium ammonium triperchlorate (DAP-4) molecular perovskite was synthesized by molecular assembly strategy and nano metal oxides of Fe, Co, Ni, Cu and Zn were synthesized by the co-precipitation method. The effect of these metal oxides on the thermal decomposition of DAP-4 was studied. X-ray diffraction, Fourier transform infrared spectroscopy and field emission scanning electron microscopy were employed to understand the structure and morphology of DAP-4 and nano metal oxides. The catalytic activity of the metal oxides on the thermal decomposition of DAP-4 was evaluated using thermogravimetry-differential scanning calorimetry. Among the different nano metal oxides, nano CuO showed the best catalytic effect for the thermal decomposition of DAP-4. The decomposition peak temperature of DAP-4 was decreased by 61°C for the CuO catalyzed reaction.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"191 ","pages":"Article 107188"},"PeriodicalIF":5.8,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144203395","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Muhammad Zohaib Farooq , Guanyi Chen , Akash Kumar , Fawei Lin
{"title":"Co-pyrolytic valorization and synergistic interactions of waste tire and corn plant stalk: A detailed study on kinetics, thermodynamics attributes, drivers, and mechanistic pathways of pollutants reduction","authors":"Muhammad Zohaib Farooq , Guanyi Chen , Akash Kumar , Fawei Lin","doi":"10.1016/j.jaap.2025.107202","DOIUrl":"10.1016/j.jaap.2025.107202","url":null,"abstract":"<div><div>Waste tire (WT) pyrolysis is a well-known technique for the production of fuel, but the formation of pollutants such as PAHs, S-compounds and N-compounds is inevitable due to the existence of sulfur, nitrogen and several additives. The co-pyrolysis of waste tire with biomass can be a viable solution to inhibit the pollutants to mitigate environmental issues. Therefore, co-pyrolysis of waste tire and corn plant stalk (CPS) is performed in TG-MS and Py-GCMS to investigate the synergistic effect. The addition of CPS improved pyrolysis efficiency of WT which resulted in earlier decomposition temperature and reduction in residual from 35.44 wt% to 27.75 wt%. Kinetics and thermodynamic analysis revealed that the average activation energy of co-pyrolysis blends decreased from 83.9 kJ/mol to 46.3 kJ/mol and the addition of CPS avoid the activation complex. The peaks intensities of SO<sub>2</sub> and H<sub>2</sub>S were highest compared to COS, CS<sub>2</sub> and CH<sub>3</sub>SH in WT100 but NH<sub>3</sub> and HNCO in CPS100 showed maximum peaks than HCN, NO. The peaks of 9 series of gaseous PAHs in WT100 were higher than CPS100. The blend ratios WT/CPS 2:2 and WT/CPS 1:3 reduced the emission of gaseous sulfur, nitrogen and PAHs compounds. The effect of final pyrolysis temperature and blend ratios in Py-GCMS analysis unveiled that co-pyrolysis maxing ratio WT/CPS 2:2 at 500 ℃ effectively minimized the phenolic, aldehydes, ketones, and acids which enhanced the fuel quality as well as lowered the benzene derivatives/ single ring aromatic hydrocarbons (SRAH) which are regarded as PAHs precursors. Furthermore, the difference between experimental and calculated yield confirms that the synergistic effect completely inhibited PAHs and decreased the N-compounds and S-compounds as well as increased the alkene and olefins. So, the results indicated that co-pyrolysis of WT with biomass can significantly restrain the pollutants and enhance the pyrolytic oil quality which can be used as an alternative environmental friendly fuel.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"191 ","pages":"Article 107202"},"PeriodicalIF":5.8,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144185211","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tommaso Nacci , Francesca De Falco , Richard C. Thompson , Federico Vitale , Ilaria Degano , Francesca Modugno
{"title":"Disposable wet-wipes as potential source of pollution: Multi-analytical investigation of the composition of fibres and additives","authors":"Tommaso Nacci , Francesca De Falco , Richard C. Thompson , Federico Vitale , Ilaria Degano , Francesca Modugno","doi":"10.1016/j.jaap.2025.107200","DOIUrl":"10.1016/j.jaap.2025.107200","url":null,"abstract":"<div><div>Wet wipes are used as disposable products for personal hygiene care, domestic cleaning, and sanitary use. Increased use of wet wipes as a consequence of the global COVID-19 pandemic, along with the introduction of labelling to indicate that some wipes can be disposed of by flushing or are biodegradable, raise concerns about the risks associated to the release of microfibres and chemicals when wet wipes enter the sewage system and the environment. A key step in the study of the behaviour and fate of the impact of the disposal of single use wet wipes is their physical-chemical characterisation in terms of fibres and additives. We designed and applied a multi-analytical protocol based on evolved gas analysis-mass spectrometry (EGA-MS) and multi-shot pyrolysis-gas chromatography-mass spectrometry (Py-GC-MS), along with scanning electron microscopy (SEM) and infrared spectroscopy (ATR-FTIR), to identify the chemical composition of the constituent materials of commercial wet wipes. Four different classes of wet wipes - certified and non-certified flushable, biodegradable, conventional - comprising a total of 12 types of samples were analysed in terms of fibre composition and organic additives. EGA-MS and Py-GC-MS analysis confirmed that all flushable and biodegradable wipe samples were only composed of cellulose-based fibres, whereas poly(propylene) and poly(ethylene terephthalate) were detected, along with cellulose, in the conventional wipes. The two techniques proved also effective in the detection of additives like benzoic acid/sodium benzoate, 2-phenoxyethanol, glycerine etc. SEM analysis allowed the discrimination between natural and regenerated cellulose fibres. The analytical protocol could be further developed to examine wet wipe degradation, the potential environmental effects of additives, and assess their impact in environmental samples.</div></div>","PeriodicalId":345,"journal":{"name":"Journal of Analytical and Applied Pyrolysis","volume":"191 ","pages":"Article 107200"},"PeriodicalIF":5.8,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144194773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}