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Molecular Dynamics Simulation Study on the SiO2–H2O System: New Insights on Water Dissolution Mechanisms in Melts SiO2-H2O体系的分子动力学模拟研究:对熔体中水溶解机理的新认识
IF 2.9 3区 化学
ACS Earth and Space Chemistry Pub Date : 2025-06-06 DOI: 10.1021/acsearthspacechem.4c0030510.1021/acsearthspacechem.4c00305
Bo Peng, Guang-Jun Guo*, Kezhang Qin, Zhaoshan Chang, Chao Zheng and Wei Tang, 
{"title":"Molecular Dynamics Simulation Study on the SiO2–H2O System: New Insights on Water Dissolution Mechanisms in Melts","authors":"Bo Peng,&nbsp;Guang-Jun Guo*,&nbsp;Kezhang Qin,&nbsp;Zhaoshan Chang,&nbsp;Chao Zheng and Wei Tang,&nbsp;","doi":"10.1021/acsearthspacechem.4c0030510.1021/acsearthspacechem.4c00305","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00305https://doi.org/10.1021/acsearthspacechem.4c00305","url":null,"abstract":"<p >The reactive force field (ReaxFF) molecular dynamics (MD) simulations were performed to mimic the two-phase equilibrium between silica melts and bulk water at conditions of 1473 K and 100–700 MPa. The water solubilities, H-bearing species, and dissolution-exsolution reactions in the melts are investigated. The main findings include: (1) The major H-bearing species in melts are −Si–O–H and molecular H<sub>2</sub>O; this agrees with previous views. In addition, we found that the content of H<sub>2</sub>O increases faster than that of −Si–O–H with increasing pressure. We also observed many minor H-bearing species at less than 1% in total, such as H, O–H, −Si–O(−H)–Si–, −Si–O–H–O–Si–, −Si–OH<sub>2</sub>, −Si–O–H–O–H, H<sub>3</sub>O, H–O–H–O–H, −Si–O–H–OH<sub>2</sub>, and (H<sub>2</sub>O)<sub>2</sub>. (2) The dissolving process of water has three steps: water molecules contact melts via H<sub>2</sub>O + −Si ⇔ −Si–OH<sub>2</sub>, the −H<sub>2</sub>O groups dissociate subsequently via −Si–OH<sub>2</sub> ⇔ −Si–O–H + H, and then various H-bearing species reach equilibrium mainly via −Si–O–H + −Si ⇔ −Si–O(−H)–Si–. Water exsolution from melts is exactly the reversal of the dissolving process. (3) The calculated water solubility increases from 0.82 wt % at 100 MPa to 4.37 wt % at 700 MPa. The values are on average 2.27 wt % (47%) lower than the experimental values [Holtz et al. <cite><i>Am. Mineral.</i></cite> <span>2000</span>, <em>85</em>, 682] but are consistent with a recent calculation using the classical MD simulations for hydrous rhyolite melts [Dufils et al. <cite><i>Chem. Geol.</i></cite> <span>2020</span>, <em>533</em>, 119300]. The present findings reveal reaction pathways for water dissolving in these melts and are helpful for the simulations of compositionally more complicated magmas and magmas containing various volatiles, including H<sub>2</sub>O, S, Cl, F, B, and P, for holistic understanding of volcanic and magmatic–hydrothermal processes.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"9 6","pages":"1299–1309 1299–1309"},"PeriodicalIF":2.9,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Correction to “Using Stable Sulfur Isotopes to Quantify the Formation Mechanism and Sources of SO42– in PM2.5 in Haikou City” 对“利用稳定硫同位素量化海口市PM2.5中SO42 -的形成机制和来源”的修正
IF 2.9 3区 化学
ACS Earth and Space Chemistry Pub Date : 2025-06-05 DOI: 10.1021/acsearthspacechem.5c0014110.1021/acsearthspacechem.5c00141
Rongqiang Yang, Quansheng Lou*, Mingbin Wang, Lingling Cao and Li Luo*, 
{"title":"Correction to “Using Stable Sulfur Isotopes to Quantify the Formation Mechanism and Sources of SO42– in PM2.5 in Haikou City”","authors":"Rongqiang Yang,&nbsp;Quansheng Lou*,&nbsp;Mingbin Wang,&nbsp;Lingling Cao and Li Luo*,&nbsp;","doi":"10.1021/acsearthspacechem.5c0014110.1021/acsearthspacechem.5c00141","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.5c00141https://doi.org/10.1021/acsearthspacechem.5c00141","url":null,"abstract":"","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"9 6","pages":"1691 1691"},"PeriodicalIF":2.9,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
P2DN: A Pulsed Setup for High-Density Supersonic Plasma Expansion P2DN:用于高密度超音速等离子体膨胀的脉冲装置
IF 2.9 3区 化学
ACS Earth and Space Chemistry Pub Date : 2025-06-05 DOI: 10.1021/acsearthspacechem.5c0000510.1021/acsearthspacechem.5c00005
N. Suas-David*, Y. Gu, H. Linnartz and J. Bouwman, 
{"title":"P2DN: A Pulsed Setup for High-Density Supersonic Plasma Expansion","authors":"N. Suas-David*,&nbsp;Y. Gu,&nbsp;H. Linnartz and J. Bouwman,&nbsp;","doi":"10.1021/acsearthspacechem.5c0000510.1021/acsearthspacechem.5c00005","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.5c00005https://doi.org/10.1021/acsearthspacechem.5c00005","url":null,"abstract":"<p >We present the piezostack pulsed discharge nozzle (P<sup>2</sup>DN), which is a next-generation apparatus that enables the production of a pulsed supersonic plasma expansion over a wide range of densities. This system combines a slit discharge nozzle with a very high-throughput piezostack actuator (PSA), allowing for accurate control of the pressure upstream of the nozzle up to values of at least 2 bar. Such pressures are inaccessible with most of the currently available systems, in particular the widespread systems that employ solenoid valves. The strength of the piezostack stems from its very stable pulse-to-pulse mass flow even when operating at a very high backing pressure. Combined with a reservoir placed upstream of the discharge nozzle, the PSA distributes the gas uniformly along the slit axis producing a high-quality supersonic flow. The plasma expansion is thus produced in a controlled environment and is suitable for stable, long-run experiments. A homemade program (PSAjet) is presented that allows modeling the gas flow through the different parts of the P<sup>2</sup>DN and for predicting the reservoir pressure during a gas pulse. In addition, the resulting supersonic expansion is modeled by means of two complementary approaches: isentropic relations are employed to retrieve the thermodynamic parameters along the jet axis, while Direct Simulation Monte Carlo (DSMC) is used to reproduce the supersonic expansion complex structure. These programs are suitable for tuning the experimental parameters to reach the target conditions. The P<sup>2</sup>DN proved to produce higher densities of exotic carbon chain radicals that result in stronger absorption features, opening the way to the detection of new weak molecular signatures and allowing for new plasma studies and the investigation of the induced chemistry.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"9 6","pages":"1510–1524 1510–1524"},"PeriodicalIF":2.9,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tracking Olivine Dissolution Kinetics at the Grain Scale: Insights from 4D X-ray Microcomputed Tomography 在颗粒尺度上跟踪橄榄石溶解动力学:来自4D x射线微计算机断层扫描的见解
IF 2.9 3区 化学
ACS Earth and Space Chemistry Pub Date : 2025-06-05 DOI: 10.1021/acsearthspacechem.4c0027510.1021/acsearthspacechem.4c00275
Chandra Widyananda Winardhi*, Kanchana Kularatne, Géraldine Fiers, Filip J. R. Meysman and Veerle Cnudde, 
{"title":"Tracking Olivine Dissolution Kinetics at the Grain Scale: Insights from 4D X-ray Microcomputed Tomography","authors":"Chandra Widyananda Winardhi*,&nbsp;Kanchana Kularatne,&nbsp;Géraldine Fiers,&nbsp;Filip J. R. Meysman and Veerle Cnudde,&nbsp;","doi":"10.1021/acsearthspacechem.4c0027510.1021/acsearthspacechem.4c00275","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00275https://doi.org/10.1021/acsearthspacechem.4c00275","url":null,"abstract":"<p >Olivine is a target mineral for carbon dioxide removal (CDR) via enhanced rock weathering, which requires an in-depth understanding of its low-temperature chemical weathering mechanism. Here, we examined the accelerated dissolution of a single olivine grain under acidified conditions (1 M HCl) at ambient temperature. To this end, we conducted a static dissolution experiment in which individual grains were submerged in solution without agitation and tracked over time using time-lapse X-ray micro-computed tomography (XCT) at a voxel size of 1.8 μm. XCT imaging was performed at five time points over a period of 12.5 days, capturing a total of five time steps. Image analysis allowed the quantification of the temporal evolution of the surface area and grain volume. This provided a mean dissolution rate of 2.88 ± 0.83 × 10<sup>–7</sup> mol m<sup>–2</sup> s<sup>–1</sup>, which remained largely constant over the time course of the experiment. Microstructural changes in the olivine grain were already noticed after 3.8 days. Most prominently, intragranular fracture networks expanded throughout the volume of the grain, likely initiated from the pre-existing microcracks on the grain surface. As a result of fracture expansion, the grain surface area increased to more than 3 times the initial value. The single-grain approach adopted here hence provides additional insight into the low-temperature weathering of minerals complementary to conventional dissolution experiments. If ambient weathering acts in a similar way as in the accelerated (high-acid) conditions examined here, then our results suggest that internal crack expansion could be an important driver of dissolution.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"9 6","pages":"1288–1298 1288–1298"},"PeriodicalIF":2.9,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Silicon Disulfide-Mediated Peptide Bond Formation: Implications of Environmental Factors on Prebiotic Synthesis 二硫化硅介导的肽键形成:环境因素对益生元合成的影响
IF 2.9 3区 化学
ACS Earth and Space Chemistry Pub Date : 2025-06-05 DOI: 10.1021/acsearthspacechem.5c0011510.1021/acsearthspacechem.5c00115
Ming Chen*, Daozhong Li and Gangqiang Yang, 
{"title":"Silicon Disulfide-Mediated Peptide Bond Formation: Implications of Environmental Factors on Prebiotic Synthesis","authors":"Ming Chen*,&nbsp;Daozhong Li and Gangqiang Yang,&nbsp;","doi":"10.1021/acsearthspacechem.5c0011510.1021/acsearthspacechem.5c00115","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.5c00115https://doi.org/10.1021/acsearthspacechem.5c00115","url":null,"abstract":"<p >The dominant view in abiogenesis research suggests that prebiotic reactions predominantly take place in aqueous or moist environments. Consequently, compounds unstable in water are often overlooked in studies of prebiotic chemistry. Here, we investigate peptide formation mediated by silicon disulfide (SiS<sub>2</sub>), a compound detected in circumstellar shells, offering new insights into potential prebiotic pathways. To explore diverse conditions of early Earth, we experimentally simulated sulfur-rich volcanic environments, atmospheric variations, and light exposure. Our results reveal significant variations in peptide yields under different environmental conditions. This study not only enhances our understanding of peptide formation in anhydrous settings but also calls for a reassessment of the environmental factors influencing early prebiotic reactions.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"9 6","pages":"1282–1287 1282–1287"},"PeriodicalIF":2.9,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Transformation of Ferrihydrite to Crystalline Fe Oxides in Salt Solutions: Implications for the Scarcity of Goethite on Mars 水合铁在盐溶液中向结晶铁氧化物的转变:对火星上针铁矿稀缺性的影响
IF 2.9 3区 化学
ACS Earth and Space Chemistry Pub Date : 2025-06-04 DOI: 10.1021/acsearthspacechem.5c0006610.1021/acsearthspacechem.5c00066
So Fukaya*, Keisuke Fukushi* and Yoshio Takahashi, 
{"title":"Transformation of Ferrihydrite to Crystalline Fe Oxides in Salt Solutions: Implications for the Scarcity of Goethite on Mars","authors":"So Fukaya*,&nbsp;Keisuke Fukushi* and Yoshio Takahashi,&nbsp;","doi":"10.1021/acsearthspacechem.5c0006610.1021/acsearthspacechem.5c00066","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.5c00066https://doi.org/10.1021/acsearthspacechem.5c00066","url":null,"abstract":"<p >Data from Mars exploration rovers and satellite observations suggest that iron oxides were formed during aqueous activity on early Mars. Although hematite (Hm) and ferrihydrite are common on the Mars surface, goethite (Gt, a common iron oxide on Earth’s surface) has been recognized there at very few locations. To gain insight into these differences, we undertook a quantitative investigation of the transformation products of ferrihydrite under controlled values of pH (4, 6, and 8) and ionic strength (<i>I</i> &lt; 0.005 and <i>I</i> = 0.01, 0.1, and 1 mol/kg) in NaCl and CaCl<sub>2</sub> solutions at 70 °C. Hematite formation was dominant at neutral pH (6 and 8) in both NaCl and CaCl<sub>2</sub> solutions. The hematite ratio [Hm/(Hm + Gt)] was independent of <i>I</i> in NaCl solutions but increased with increasing <i>I</i> in CaCl<sub>2</sub> solutions. Under acidic pH (3 and 4) conditions, goethite was predominant at lower ionic strengths, which is consistent with previous studies. On the other hand, the hematite ratio increased systematically with increasing <i>I</i> and became predominant at higher ionic strengths (<i>I</i> &gt; 0.1 mol/kg) in both NaCl and CaCl<sub>2</sub> solutions. These results suggest that highly saline aqueous solutions inhibit goethite formation in Cl-rich conditions regardless of pH, which can explain the absence of goethite in the Karasburg member, Murray formation in Gale crater, where the water chemistry of the ancient pore water during temporal wet events at about 3–2 Ga was characterized to acidic (pH 3–5) and saline Na–Cl type at low temperatures (&lt;70 °C).</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"9 6","pages":"1654–1666 1654–1666"},"PeriodicalIF":2.9,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsearthspacechem.5c00066","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Gaseous and Particle Products Formation from α-Pinene Ozonolysis under Conditions of Different Relative Humidities and Particle Seeds 不同相对湿度和颗粒种子条件下α-蒎烯臭氧分解气体和颗粒产物的形成
IF 2.9 3区 化学
ACS Earth and Space Chemistry Pub Date : 2025-06-04 DOI: 10.1021/acsearthspacechem.4c0036810.1021/acsearthspacechem.4c00368
Jinhe Wang, Yue Wang, Wenya Niu, Abdelwahid Mellouki, Véronique Daële and Yangang Ren*, 
{"title":"Gaseous and Particle Products Formation from α-Pinene Ozonolysis under Conditions of Different Relative Humidities and Particle Seeds","authors":"Jinhe Wang,&nbsp;Yue Wang,&nbsp;Wenya Niu,&nbsp;Abdelwahid Mellouki,&nbsp;Véronique Daële and Yangang Ren*,&nbsp;","doi":"10.1021/acsearthspacechem.4c0036810.1021/acsearthspacechem.4c00368","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00368https://doi.org/10.1021/acsearthspacechem.4c00368","url":null,"abstract":"<p >α-Pinene is one of the most important volatile organic compounds (VOCs) emitted from human and biogenic activities. With the increasing ozone concentration in the atmosphere, the α-pinene ozonolysis would enhance atmospheric particle formation by producing gaseous products and secondary organic aerosol (SOA) directly. This study investigated the atmospheric chemistry of α-pinene ozonolysis, focusing on the formation of gaseous and aerosol products under varying relative humidity (RH) and particle seed conditions. Gaseous products were analyzed using PTR-TOF-MS, identifying key compounds such as HCHO, acetone, OH radical, α-pinene oxide, and macromolecular products, with yields of 20.0 ± 3.3% for HCHO and 12.6 ± 2.7% for acetone, 4 ± 2% for α-pinene oxide, and 89.1 ± 10.5% for OH radical. The O/C and H/C ratios of oxidation products remained stable across different conditions, while pinonaldehyde formation was significantly influenced by RH. This study also examined the impact of OH scavengers, particle seeds, and RH on SOA formation. Combining the literature, we figured out that the SOA formation from α-pinene ozonolysis was governed by the multifaceted interdependencies among these variables. Overall, the research emphasizes the significant roles of seeds and humidity in the formation of gaseous products and SOA from α-pinene ozonolysis, contributing to our understanding of atmospheric chemistry.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"9 6","pages":"1338–1349 1338–1349"},"PeriodicalIF":2.9,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Products of Sublimated Ammonium Salts 升华铵盐产品
IF 2.9 3区 化学
ACS Earth and Space Chemistry Pub Date : 2025-06-03 DOI: 10.1021/acsearthspacechem.5c0009010.1021/acsearthspacechem.5c00090
Jean-Christophe Loison*, Madhusree Roy Chowdhury, Julie Vitorino, Gustavo A. Garcia, Kevin M. Hickson, Bérenger Gans, Séverine Boyé-Péronne, Nicolas Fray and François Dulieu, 
{"title":"Products of Sublimated Ammonium Salts","authors":"Jean-Christophe Loison*,&nbsp;Madhusree Roy Chowdhury,&nbsp;Julie Vitorino,&nbsp;Gustavo A. Garcia,&nbsp;Kevin M. Hickson,&nbsp;Bérenger Gans,&nbsp;Séverine Boyé-Péronne,&nbsp;Nicolas Fray and François Dulieu,&nbsp;","doi":"10.1021/acsearthspacechem.5c0009010.1021/acsearthspacechem.5c00090","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.5c00090https://doi.org/10.1021/acsearthspacechem.5c00090","url":null,"abstract":"<p >Ammonium salts are increasingly suspected to play an important role in astrochemistry, as both a reservoir, particularly of sulfur and nitrogen, and a potential source of complex molecules, in spite of the lack of knowledge on their sublimation process and products. We have studied the sublimation of four ammonium salts using mass-selected photoelectron spectroscopy coupled to vacuum ultraviolet synchrotron radiation to identify most of the sublimation products. We show that, if proton transfer yields stable products without rearrangement, leading to NH<sub>3</sub> or CH<sub>3</sub>NH<sub>2</sub>, this route will be favored. Furthermore, we suggest that the sublimation of salts could lead to the formation of complex molecules, such as formamide, and also constitute a possible route for the formation of isonitriles.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"9 6","pages":"1667–1678 1667–1678"},"PeriodicalIF":2.9,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144312423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Particulate Matter and Total Volatile Organic Compound Emissions Following Surface Cleaning: Comparison of Cleaning Agents and Locations. 表面清洁后的微粒物质和总挥发性有机化合物排放:清洁剂和地点的比较。
IF 2.9 3区 化学
ACS Earth and Space Chemistry Pub Date : 2025-06-02 eCollection Date: 2025-06-19 DOI: 10.1021/acsearthspacechem.5c00046
Pedro A F Souza, Leigh R Crilley, Yashar E Iranpour, Jay Dave, Trevor C VandenBoer, Tara F Kahan
{"title":"Particulate Matter and Total Volatile Organic Compound Emissions Following Surface Cleaning: Comparison of Cleaning Agents and Locations.","authors":"Pedro A F Souza, Leigh R Crilley, Yashar E Iranpour, Jay Dave, Trevor C VandenBoer, Tara F Kahan","doi":"10.1021/acsearthspacechem.5c00046","DOIUrl":"10.1021/acsearthspacechem.5c00046","url":null,"abstract":"<p><p>Cleaning activities are essential for maintaining hygiene in indoor environments but can significantly influence indoor air quality (IAQ). We investigated emissions of volatile organic compounds (VOCs) and particulate matter (PM) during cleaning events across various indoor settings including two laboratories, an office, and a residential bathroom, with room volumes ranging from 22 to 206 m<sup>3</sup> and air changes rates (ACR) of 0.85-9.14 h<sup>-1</sup>. Four cleaning solutions with different active ingredients were evaluated: quaternary ammonium compounds (quats), hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>), sodium hypochlorite (bleach), and thymol. Cleaning increased PM<sub>2.5</sub> by 0.7-14.5 μg m<sup>-3</sup>, depending on location and cleaning solution, with quats generally yielding the greatest increases. Measured total volatile organic compound (TVOC) mixing ratios also increased following cleaning by 10-104 ppbv, with the exception of experiments performed using thymol. We note that sensors such as the photoionization detector (PID) used in this work do not provide quantitative TVOC measurements. In general, greater emissions of PM<sub>2.5</sub> and TVOCs were observed in locations with lower ACR. We also measured PM<sub>2.5</sub> in a lobby, elevator, and public bathroom in a hotel with a number of COVID-positive occupants during routine surface disinfection using a quats-based disinfectant: increases of 5.5-14.2 μg m<sup>-3</sup> were observed. This study demonstrates that emissions other than active ingredients can affect IAQ during surface cleaning, and provides information that may help mitigate harmful effects. It also provides insight into the use and limitations of low-cost sensors (LCS) in determining IAQ impacts from cleaning.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"9 6","pages":"1622-1632"},"PeriodicalIF":2.9,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12183735/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144482528","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Antarctic Ice Core Records of Saturated (C8–C30), Unsaturated (C16:1, Cis/Trans C18:1, and C18:2), and Branched-Chain (iC10–iC16) Fatty Acids and Dehydroabietic Acid from Preindustrial to Near-Present Time: Implications for Global Warming and Climate Changes 工业化前至近现代南极饱和(C8-C30)、不饱和(C16:1、顺式/反式C18:1和C18:2)和支链(iC10-iC16)脂肪酸和脱氢枞酸的冰芯记录:对全球变暖和气候变化的影响
IF 2.9 3区 化学
ACS Earth and Space Chemistry Pub Date : 2025-06-02 DOI: 10.1021/acsearthspacechem.4c0038310.1021/acsearthspacechem.4c00383
Ambarish Pokhrel*, Bhagawati Kunwar, Kimitaka Kawamura*, Mutsumi Nishikiori and Yoshiyuki Fujii, 
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