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Keywords = free nitrous acid

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16 pages, 3243 KB  
Article
Enhanced Nitrification of High-Ammonium Reject Water in Lab-Scale Sequencing Batch Reactors (SBRs)
by Sandeep Gyawali, Eshetu Janka and Carlos Dinamarca
Water 2025, 17(9), 1344; https://doi.org/10.3390/w17091344 - 30 Apr 2025
Viewed by 1406
Abstract
Dewatering anaerobic digested sludge leaves a liquid fraction known as reject water, a liquid organic fertilizer containing high amounts of ammonium nitrogen (NH4-N). However, its concentration should be enhanced to produce commercial fertilizer. Thus, reject water nitrification for stabilization as well [...] Read more.
Dewatering anaerobic digested sludge leaves a liquid fraction known as reject water, a liquid organic fertilizer containing high amounts of ammonium nitrogen (NH4-N). However, its concentration should be enhanced to produce commercial fertilizer. Thus, reject water nitrification for stabilization as well as for nitrate capture in biochar to be used as a slow-release fertilizer is proposed. This study attempted to accomplish enhanced nitrification by tuning the operating parameters in two lab-scale sequential-batch reactors (SBRs), which were fed reject water (containing 520 ± 55 mg NH4-N/L). Sufficient alkalinity as per stoichiometric value was needed to maintain the pH and free nitrous acid (FNA) within the optimum range. A nitrogen loading rate (NLR) of 0.14 ± 0.01 kg/m3·d and 3.34 days hydraulic retention time (HRT) helped to achieved complete 100% nitrification in reactor 1 (R1) on day 61 and in reactor 2 (R2) on day 82. After a well-developed bacterial biomass, increasing the NH4-N concentration up to 750 ± 85 mg/L and NLR to 0.23 ± 0.03 kg/m3·d did not affect the nitrification process. Moreover, a feeding sequence once a day provided adequate contact time between nitrifying sludge and reject water, resulting in complete nitrification. It can be concluded that enhanced stable nitrification of reject water can be achieved with quick adjustment of loading, alkalinity, and HRT in SBRs. Full article
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11 pages, 4656 KB  
Article
The Suppression of Nitrite-Oxidizing Bacteria Using Free Nitrous Acid and Limited Available Dissolved Oxygen to Maintain the Stability of Toilet Wastewater Biofilm Nitritation
by Ao Li, Minghuan Lv, Xue Jing, Hongliang Wang and Huijuan Feng
Sustainability 2024, 16(23), 10165; https://doi.org/10.3390/su162310165 - 21 Nov 2024
Viewed by 1455
Abstract
Researchers have found that maintaining the long-term stability of nitritation becomes challenging when relying on a single inhibitor. Currently, a feasible solution to this problem is to apply two or more inhibitors to achieve the synergistic suppression of NOB. However, studies on this [...] Read more.
Researchers have found that maintaining the long-term stability of nitritation becomes challenging when relying on a single inhibitor. Currently, a feasible solution to this problem is to apply two or more inhibitors to achieve the synergistic suppression of NOB. However, studies on this solution have mainly focused on mainstream wastewater, while few have focused on non-mainstream wastewater. Moreover, most of the studies relating to non-mainstream wastewater have only focused on the spontaneous achievement of nitritation within a short operation time or have described nitritation collapse. Since toilet wastewater (TW), as non-mainstream wastewater, can endogenously produce free nitrous acid (FNA) through spontaneous nitritation, an attempt was made in this study through a series of field experiments to combine another inhibitor—a low concentration of dissolved oxygen (DO) available to NOB in the inner layer of biofilm—for biofilm nitritation. Under different levels of DO in the nitritation unit, the working effect and mechanism of high FNA–low available DO dual-factor suppression in maintaining nitritation stability were investigated. The results showed that the dual-factor suppression maintained the long-term stability of TW biofilm nitritation and triggered negative feedback regulation when the nitritation was unstable. A feasible method for establishing a low level of available DO based on a normalized FNA inhibitor when the COD/TN in the nitritation unit exceeds 0.50 is possible when the influent COD/TN of the unit is over 1.57. This study aimed to construct an endogenous and unregulated synergistic suppression strategy for stabilizing nitritation in non-mainstream wastewater to support the application of efficient and sustainable N-removal technology. Full article
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15 pages, 2972 KB  
Article
Enhancing Single- and Two-Stage Anaerobic Digestion of Thickened Waste-Activated Sludge through FNA-Heat Pretreatment
by Salomeh Chegini and Elsayed Elbeshbishy
Processes 2024, 12(2), 345; https://doi.org/10.3390/pr12020345 - 6 Feb 2024
Cited by 1 | Viewed by 1895
Abstract
This study aimed to investigate the effect of combined Free Nitrous Acid (FNA)-Heat (i.e., FNH) pretreatment on single- and two-stage anaerobic digestion (AD) of thickened waste-activated sludge (TWAS). Single-stage AD was conducted in batches, while two-stage AD involved acidogenic fermentation under semi-continuous flow [...] Read more.
This study aimed to investigate the effect of combined Free Nitrous Acid (FNA)-Heat (i.e., FNH) pretreatment on single- and two-stage anaerobic digestion (AD) of thickened waste-activated sludge (TWAS). Single-stage AD was conducted in batches, while two-stage AD involved acidogenic fermentation under semi-continuous flow followed by batch methanogenesis. FNH pretreatment was applied before the acidogenic stage, using 1.4 mg HNO2-N/L FNA concentration at 25 °C, 37 °C, and 60 °C for 24 h. Among the scenarios, the most promising results were observed with two-stage AD fed with FNH-pretreated TWAS at 60 °C, showing higher COD solubilization and a reduction in volatile solids. Combined FNA-Heat pretreatment in two-stage AD yielded elevated methane production (363–415 mL CH4/g VS added) compared to single-stage digestion. Methane yields from FNA-Heat pretreated single-stage ranged from 332 to 347 mL CH4/g VS added, contrasting with 212 mL CH4/g VS added for untreated TWAS. Methane generation commenced early in both untreated and pretreated samples, attributed to soluble substrate abundance. Full article
(This article belongs to the Special Issue Industrial Wastewater Treatment)
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21 pages, 5839 KB  
Article
Porcine Intestinal Mucosal Peptides Target Macrophage-Modulated Inflammation and Alleviate Intestinal Homeostasis in Dextrose Sodium Sulfate-Induced Colitis in Mice
by Yucong Wang, Zhixin Xie, Xiaolong Wu, Lei Du, Zhengchen Chong, Rongxu Liu and Jianchun Han
Foods 2024, 13(1), 162; https://doi.org/10.3390/foods13010162 - 3 Jan 2024
Cited by 3 | Viewed by 5704
Abstract
Porcine intestinal mucosal proteins are novel animal proteins that contain large amounts of free amino acids and peptides. Although porcine intestinal mucosal proteins are widely used in animal nutrition, the peptide bioactivities of their enzymatic products are not yet fully understood. In the [...] Read more.
Porcine intestinal mucosal proteins are novel animal proteins that contain large amounts of free amino acids and peptides. Although porcine intestinal mucosal proteins are widely used in animal nutrition, the peptide bioactivities of their enzymatic products are not yet fully understood. In the present study, we investigated the effect of porcine intestinal mucosal peptides (PIMP) on the RAW264.7 cell model of LPS-induced inflammation. The mRNA expression of inflammatory factors (interleukin 6, tumor necrosis factor-α, and interleukin-1β) and nitrous oxide levels were all measured by quantitative real-time PCR and cyclooxygenase-2 protein expression measured by Western blot. To investigate the modulating effect of PIMP and to establish a model of dextran sodium sulfate (DSS)-induced colitis in mice, we examined the effects of hematoxylin-eosin staining, myeloperoxidase levels, pro-inflammatory factor mRNA content, tight junction protein expression, and changes in intestinal flora. Nuclear factor κB pathway protein levels were also assessed by Western blot. PIMP has been shown in vitro to control inflammatory responses and prevent the activation of key associated signaling pathways. PIMP at doses of 100 and 400 mg/kg/day also alleviated intestinal inflammatory responses, reduced tissue damage caused by DSS, and improved intestinal barrier function. In addition, PIMP at 400 mg/kg/day successfully repaired the dysregulated gut microbiota and increased short-chain fatty acid levels. These findings suggest that PIMP may positively influence inflammatory responses and alleviate colitis. This study is the first to demonstrate the potential of PIMP as a functional food for the prevention and treatment of colitis. Full article
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13 pages, 2619 KB  
Article
HONO Formation from the Oxidation Reactions of ClO, NO, and Water in the Gas-Phase and at the Air-Water Interface
by Qi Zhang, Mohammad Hassan Hadizadeh, Xiaotong Wang, Xianwei Zhao, Xurong Bai, Fei Xu and Yanhui Sun
Atmosphere 2023, 14(1), 30; https://doi.org/10.3390/atmos14010030 - 24 Dec 2022
Cited by 5 | Viewed by 3454
Abstract
Nitrous acid (HONO) plays a key role in atmospheric chemistry. Nevertheless, the HONO formation mechanism in the atmosphere, especially in the marine boundary layer, remains to be fully understood. Here, Born–Oppenheimer molecular dynamic and metadynamics simulations were performed to study the formation mechanism [...] Read more.
Nitrous acid (HONO) plays a key role in atmospheric chemistry. Nevertheless, the HONO formation mechanism in the atmosphere, especially in the marine boundary layer, remains to be fully understood. Here, Born–Oppenheimer molecular dynamic and metadynamics simulations were performed to study the formation mechanism of HONO from the oxidation reactions of ClO radical and NO with the addition of (H2O)1–2, considering a monohydrated system ((ClO)(NO)(H2O)1) and dihydrated system ((ClO)(NO)(H2O)2), as well as at the air-water interface. This study shows that HONO formation follows a single-water mechanism in gas-phase and air-water interface systems. The free-energy barrier of the (ClO)(NO)(H2O)1 system was 9.66 kJ mol−1, whereas the (ClO)(NO)(H2O)2 system was a barrierless reaction. HONO formation at the air-water interface was faster than that in monohydrated and dihydrated systems. Although the concentration of ClO radical in the marine boundary layer is two orders higher than that of Cl radical, the production rates of HONO from the (ClO)(NO)(H2O)1 system are six orders lower than that from the (Cl)(NO)(H2O)1 system, which means that Cl radical dominates HONO formation rather than ClO radical in the marine boundary layer. These results can deepen our understanding of the HONO formation mechanism and be used to reduce HONO emissions and establish HONO-control strategies. Full article
(This article belongs to the Special Issue New Insights into Secondary Organic Aerosol Formation)
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15 pages, 2915 KB  
Article
24 h Evolution of an Exceptional HONO Plume Emitted by the Record-Breaking 2019/2020 Australian Wildfire Tracked from Space
by Gaëlle Dufour, Maxim Eremenko, Guillaume Siour, Pasquale Sellitto, Juan Cuesta, Agnès Perrin and Matthias Beekmann
Atmosphere 2022, 13(9), 1485; https://doi.org/10.3390/atmos13091485 - 13 Sep 2022
Cited by 7 | Viewed by 2297
Abstract
Megafires occurred in Australia during the 2019/2020 bushfire season, leading to enhanced concentrations of many tropospheric pollutants. Here, we report on a fire plume with unusually high and persistent nitrous acid (HONO) levels that we could track during one day at free tropospheric [...] Read more.
Megafires occurred in Australia during the 2019/2020 bushfire season, leading to enhanced concentrations of many tropospheric pollutants. Here, we report on a fire plume with unusually high and persistent nitrous acid (HONO) levels that we could track during one day at free tropospheric levels over the Tasman Sea on 4 January 2020 using IASI and CrIS satellite observations. HONO concentrations up to about 25 ppb were retrieved during nighttime. Persistent HONO concentrations (>10 ppb) were still observed at sunrise, likely due to large aerosol concentrations within the plume, preventing HONO photodissociation. In addition, comparison with carbon monoxide (CO) measurements suggest a secondary production during the plume transport. Model simulations confirm that the plume is transported in the lower free troposphere with concentrations as high as 30 ppb at about 4 km. However, many uncertainties and unknowns remain in the plume aerosol load and in the chemical processes which may explain the model inability to reproduce elevated HONO concentrations at sunrise. Full article
(This article belongs to the Special Issue Atmospheric Radiative Transfer and Remote Sensing)
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15 pages, 4346 KB  
Article
Soil Moisture Control of NO Turnover and N2O Release in Nitrogen-Saturated Subtropical Forest Soils
by Ronghua Kang, Thomas Behrendt, Jan Mulder and Peter Dörsch
Forests 2022, 13(8), 1291; https://doi.org/10.3390/f13081291 - 14 Aug 2022
Cited by 1 | Viewed by 2639
Abstract
Acid forest soils in South China experience a chronically elevated input of atmospheric nitrogen (N), turning them into hot spots for gaseous N emissions. Soil moisture is known to be a major controller for the partitioning of gaseous N loss to nitric (NO) [...] Read more.
Acid forest soils in South China experience a chronically elevated input of atmospheric nitrogen (N), turning them into hot spots for gaseous N emissions. Soil moisture is known to be a major controller for the partitioning of gaseous N loss to nitric (NO) and nitrous oxide (N2O), which may be of particular relevance in the monsoonal climate of South China. To study this partitioning in more detail, we determined gas phase kinetics of NO and N2O release during laboratory dry-out of acidic surface soils from the headwater catchment TieShanPing (TSP), situated close to Chongqing, SW China. Soils were sampled from two hydrologically distinct environments, a well-drained hill slope (HS), and a periodically flooded groundwater discharge zone (GDZ). Production and consumption of NO were studied in an automated flow-through system purged with NO-free or NO-spiked air. Production rates peaked at 21% and 18% water filled pore space (WFPS) in HS and GDZ soils, respectively, suggesting nitrification as the dominant process of NO formation in both landscape units. In HS soils, maximum production and consumption occurred at the same WFPS, whereas GDZ soils displayed maximum NO consumption at higher WFPS than maximum production, suggesting that denitrification is an important NO sink in GDZ soils. Net N2O release was largest at 100% WFPS and declined steadily during drying. Integrated over the entire range of soil moisture, potential NO-N loss outweighed potential N2O-N loss, suggesting that N-saturated, acid forest soil is an important NO source. Full article
(This article belongs to the Special Issue Nitrogen Biogeochemical Cycling in Forest Ecosystems)
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18 pages, 2606 KB  
Article
The Inhibitory Effect of Free Nitrous Acid and Free Ammonia on the Anoxic Phosphorus Uptake Rate of Polyphosphate-Accumulating Organisms
by Dimitris Andreadakis, Constantinos Noutsopoulos, Daniel Mamais, Vera Charalambous, Asimina Koukoura and Simos Malamis
Energies 2022, 15(6), 2108; https://doi.org/10.3390/en15062108 - 14 Mar 2022
Cited by 5 | Viewed by 2763
Abstract
The purpose of this study is to investigate the effect of free nitrous acid (FNA) and free ammonia (FA) on the anoxic phosphorus uptake rate (PUR) of polyphosphate-accumulating organisms (PAOs) via the utilization of nitrite. With this goal, upon developing a PAO-enriched culture [...] Read more.
The purpose of this study is to investigate the effect of free nitrous acid (FNA) and free ammonia (FA) on the anoxic phosphorus uptake rate (PUR) of polyphosphate-accumulating organisms (PAOs) via the utilization of nitrite. With this goal, upon developing a PAO-enriched culture in a sequential batch reactor, a series of batch experiments were conducted to examine the effects of nitrite and ammonium on the anoxic phosphorus uptake rate at different pH levels. According to the results, both free nitrous acid and free ammonia were found to inhibit anoxic PUR to a degree similar to their respective effects on aerobic PUR reported in previous studies, suggesting that phosphorus removal via the anoxic pathway may be just as susceptible as that via the aerobic pathway. The effect of FNA on anoxic PUR is optimally described by a non-competitive inhibition model with a KiFNA value of 1.6 μg N L−1, while the Levenspiel model with an SFA* value of 37 mg N L−1 provided the best fit for the FA effect on PAOs anoxic activities. The results of this study provide new insights regarding the viability of EBPR under high nitrogen loading conditions. Full article
(This article belongs to the Special Issue Wastewater, Water and Energy)
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28 pages, 5620 KB  
Article
An Easy Synthesis of Monofluorinated Derivatives of Pyrroles from β-Fluoro-β-Nitrostyrenes
by Alexander S. Aldoshin, Andrey A. Tabolin, Sema L. Ioffe and Valentine G. Nenajdenko
Molecules 2021, 26(12), 3515; https://doi.org/10.3390/molecules26123515 - 9 Jun 2021
Cited by 6 | Viewed by 3167
Abstract
The catalyst-free conjugate addition of pyrroles to β-Fluoro-β-nitrostyrenes was investigated. The reaction was found to proceed under solvent-free conditions to form 2-(2-Fluoro-2-nitro-1-arylethyl)-1H-pyrroles. The effectiveness of this approach was demonstrated through the preparation of a series of the target products in a [...] Read more.
The catalyst-free conjugate addition of pyrroles to β-Fluoro-β-nitrostyrenes was investigated. The reaction was found to proceed under solvent-free conditions to form 2-(2-Fluoro-2-nitro-1-arylethyl)-1H-pyrroles. The effectiveness of this approach was demonstrated through the preparation of a series of the target products in a quantitative yield. The kinetics of a conjugate addition of pyrrole was studied in detail to reveal the substituent effect and activation parameters of the reaction. The subsequent base-induced elimination of nitrous acid afforded a series of novel 2-(2-Fluoro-1-arylvinyl)-1H-pyrroles prepared in up to an 85% isolated yield. The two-step sequence herein proposed is an indispensable alternative to a direct reaction with elusive and unstable 1-Fluoroacetylenes. Full article
(This article belongs to the Special Issue Organofluorine Chemistry and Beyond)
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21 pages, 5237 KB  
Article
Dosing Free Nitrous Acid as an Alternative Sulphide Control Technology for Pressure Sewers in Germany
by Daneish Despot, Luisa Reinhold, Adrian Augustyniak and Matthias Barjenbruch
Water 2021, 13(8), 1015; https://doi.org/10.3390/w13081015 - 8 Apr 2021
Cited by 7 | Viewed by 4343
Abstract
Sulphide build-up in pressure sewers has been identified as the main cause for the occurrence of odour and corrosion in sewer systems. Despite the efforts to optimize commonly used control technologies such as nitrate and iron salts to reduce sulphide emission, continuous addition [...] Read more.
Sulphide build-up in pressure sewers has been identified as the main cause for the occurrence of odour and corrosion in sewer systems. Despite the efforts to optimize commonly used control technologies such as nitrate and iron salts to reduce sulphide emission, continuous addition of these chemicals is still required. A biocidal agent such as free nitrous acid can be added intermittently, less frequently, and in smaller quantities whilst achieving total sulphide control. So far, laboratory and field studies in Australia and the USA have successfully proven and applied the use of this control technology, exhibiting its strong biocidal effects during intermittent addition. In this study, nine trials were made to assess the application of the free nitrous acid (FNA) as an alternative sulphide control technology in Germany. The sewer pilot plant of the Berlin Water Utility Company was used to perform the trials at a technical scale using a supply of raw sewage. FNA exposure times ranging from 5 to 24 h in varying concentrations were investigated. The effectiveness of the FNA treatment was monitored using the online hydrogen sulphide (H2S) gas and dissolved-sulphide sensors installed in the sewer pilot plant. Effective sulphide control was only possible during dosing periods, with rapid resumption of sulphide production for the trials with exposure times of <12 h and concentrations ranging from 0.08 to 0.56 mg HNO2-N L−1 suggesting a slight inhibitory effect. A more pronounced biocidal effect was observed for the trials exposed to FNA treatment for 24 h at concentrations >0.29 mg HNO2-N L−1. Overall, the trials of this study demonstrated that the biofilms were FNA resistant and that the concentrations and exposure times used were inadequate to develop an effective intermittent dosing strategy. Full article
(This article belongs to the Special Issue Microbial and Chemical Sewer Processes)
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7 pages, 1837 KB  
Article
Adipic Acid Route: Oxidation of Cyclohexene vs. Cyclohexane
by Ana P. C. Ribeiro, Elisa Spada, Roberta Bertani and Luísa M. D. R. S. Martins
Catalysts 2020, 10(12), 1443; https://doi.org/10.3390/catal10121443 - 10 Dec 2020
Cited by 18 | Viewed by 9208
Abstract
A cleaner alternative to the current inefficient oxidation of cyclohexane to adipic acid is presented. Direct oxidation of neat cyclohexene by aq. hydrogen peroxide to adipic acid is selectively achieved in good yield (46%), in the presence of the recyclable C-homoscorpionate iron(II) complex [...] Read more.
A cleaner alternative to the current inefficient oxidation of cyclohexane to adipic acid is presented. Direct oxidation of neat cyclohexene by aq. hydrogen peroxide to adipic acid is selectively achieved in good yield (46%), in the presence of the recyclable C-homoscorpionate iron(II) complex [FeCl23-HC(pz)3}] (pz = pyrazol-1-yl) and microwave irradiation, by a nitrous oxide-free protocol. Full article
(This article belongs to the Special Issue Recent Advances in Organometallic Chemistry and Catalysis)
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14 pages, 2858 KB  
Article
Nitrogen Removal for Liquid-Ammonia Mercerization Wastewater via Partial Nitritation/Anammox Based on Zeolite Sequencing Batch Reactor
by Lei Zheng, Yongxing Chen, Songwei Zhou, Yuchen Chen, Xingxing Wang, Xiaojun Wang, Lijuan Zhang and Zhenguo Chen
Water 2020, 12(8), 2234; https://doi.org/10.3390/w12082234 - 8 Aug 2020
Cited by 8 | Viewed by 4163
Abstract
Liquid-ammonia mercerization is commonly used to enhance the quality of cotton fabric in the textile industry, resulting in a large amount of liquid-ammonia mercerization wastewater (LMWW) containing high concentration of ammonia to be disposed of. This study proposes a partial nitritation/anammox (PN/A) process [...] Read more.
Liquid-ammonia mercerization is commonly used to enhance the quality of cotton fabric in the textile industry, resulting in a large amount of liquid-ammonia mercerization wastewater (LMWW) containing high concentration of ammonia to be disposed of. This study proposes a partial nitritation/anammox (PN/A) process based on stable nitritation by a zeolite sequencing batch reactor (ZSBR) for the nitrogen removal of LMWW. The ZSBR could quickly achieve stably full nitritation with a nitrite accumulation ratio higher than 97% and an ammonia removal rate of 0.86 kg N·m−3·d−1 for the raw LMWW with an ammonia level of 1490 mg/L. In order to avoid anammox inhibition by free nitrous acid, the ZSBR was successfully changed to PN operation with diluted LMWW for effluent meeting anammox requirements. The next anammox reactor (an up-flow blanket filter (UBF)) realized a total nitrogen removal efficiency of 70.0% with a NLR (nitrogen loading rate) of 0.82 kg N·m−3·d−1 for LMWW. High-throughput sequencing analysis results indicated that Nitrosomonas and Candidatus Kuenenia were the dominant bacteria in ZSBR and UBF, respectively. All results revealed that the PN/A process based on ZSBR as the PN pretreatment process was feasible for LMWW, facilitating cost-effective and low-carbon nitrogen removal for LMWW treatment in the textile industry in the future. Full article
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14 pages, 3335 KB  
Article
Theoretical Insights into the Electron Capture Behavior of H2SO4···N2O Complex: A DFT and Molecular Dynamics Study
by Wei-Hua Wang, Wen-Ling Feng, Wen-Liang Wang and Ping Li
Molecules 2018, 23(9), 2349; https://doi.org/10.3390/molecules23092349 - 13 Sep 2018
Cited by 2 | Viewed by 4975
Abstract
Both sulfuric acid (H2SO4) and nitrous oxide (N2O) play a central role in the atmospheric chemistry in regulating the global environment and climate changes. In this study, the interaction behavior between H2SO4 and N [...] Read more.
Both sulfuric acid (H2SO4) and nitrous oxide (N2O) play a central role in the atmospheric chemistry in regulating the global environment and climate changes. In this study, the interaction behavior between H2SO4 and N2O before and after electron capture has been explored using the density functional theory (DFT) method as well as molecular dynamics simulation. The intermolecular interactions have been characterized by atoms in molecules (AIM), natural bond orbital (NBO), and reduced density gradient (RDG) analyses, respectively. It was found that H2SO4 and N2O can form two transient molecular complexes via intermolecular H-bonds within a certain timescale. However, two molecular complexes can be transformed into OH radical, N2, and HSO4 species upon electron capture, providing an alternative formation source of OH radical in the atmosphere. Expectedly, the present findings not only can provide new insights into the transformation behavior of H2SO4 and N2O, but also can enable us to better understand the potential role of the free electron in driving the proceeding of the relevant reactions in the atmosphere. Full article
(This article belongs to the Special Issue Theoretical Investigations of Reaction Mechanisms)
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