ACS Earth and Space Chemistry最新文献

{"title":"Simulation of Secondary Organic Aerosol Formation Using Near-Explicitly Predicted Products from Naphthalene Photooxidation in the Presence of NOx","authors":"Sanghee Han,&nbsp; and ,&nbsp;Myoseon Jang*,&nbsp;","doi":"10.1021/acsearthspacechem.4c0021710.1021/acsearthspacechem.4c00217","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00217https://doi.org/10.1021/acsearthspacechem.4c00217","url":null,"abstract":"<p >The atmospheric oxidation of naphthalene, found in automobile exhaust and biomass burning smoke, forms a secondary organic aerosol (SOA) with a high yield. In this study, a near-explicit gas mechanism for the photooxidation of naphthalene in the presence of NO_<i>x</i> was derived using a box model platform. The naphthalene oxidation initiated by an OH radical produces various products, including naphthols, nitronaphthols, naphthoquinones, ring-opening products, and organonitrates. The resulting gas mechanism was applied to the UNIfied Partitioning Aerosol-phase Reaction (UNIPAR) model to predict SOA formation via multiphase reactions of naphthalene. Semiexplicitly predicted products were sorted to construct volatility-reactivity-based two-dimensional (2D) lumping species, which were used to process multiphase partitioning of organics and their heterogeneous chemistry to form SOA. The performance of the gas mechanism and the SOA model was demonstrated with data obtained from the photooxidation of naphthalene under varying conditions (NO_<i>x</i> levels, humidity, temperature, and seed types) in a large outdoor photochemical smog chamber. Major products predicted from gas mechanisms were compared with products tentatively identified using proton transfer reaction-mass spectrometry. The simulated organic-to-carbon ratio (0.72) using predicted SOA functional groups was compared with the ratio (0.70 ± 0.7) constructed from the analysis of chamber-generated SOA using Fourier transform infrared spectrometry. Among environmental variables, NO_<i>x</i> and temperature are influential in naphthalene SOA formation. A strong negative relationship appeared between SOA and NO_<i>x</i> levels under hydrocarbon (HC)-limited regions (HC ppbC/NO_<i>x</i> ppb &lt;5) but a weakly positive relationship at NO_<i>x</i>-limited regions. The impact of aqueous reactions on naphthalene SOA growth was insignificant regardless of inorganic seed types (inorganic aerosol liquid water content and seed aerosol acidity) due to poor solubility of naphthalene oxidation products in the inorganic aqueous phase. Under high NO_<i>x</i> levels, SOA growth is dominated by organic-phase heterogeneous reactions of reactive, low-volatile multifunctional aldehydes. Both partitioning and heterogeneous reactions are, however, influential in naphthalene SOA formation under the NO_<i>x</i>-limited regions.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"8 12","pages":"2483–2494 2483–2494"},"PeriodicalIF":2.9,"publicationDate":"2024-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142842753","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}

{"title":"Photoreduction of Nitrate to HONO and NOx by Organic Matter in the Presence of Iron and Aluminum","authors":"Elizabeth Melssen,&nbsp;David L. Bish,&nbsp;Yaroslav Losovyj and Jonathan D. Raff*,&nbsp;","doi":"10.1021/acsearthspacechem.4c0025210.1021/acsearthspacechem.4c00252","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00252https://doi.org/10.1021/acsearthspacechem.4c00252","url":null,"abstract":"<p >Nitrogen oxides (NO_<i>y</i>) such as NO, NO₂, and HONO control the oxidative capacity of the lower atmosphere. Studies have shown that photolysis of nitrate on atmospheric surfaces is an efficient source of nitrogen oxides through a process termed \"renoxification;\" however, the mechanisms responsible for this process remain poorly understood, leading to difficulties in modeling atmospheric composition. This work aims to elucidate the mechanism of NO_<i>y</i> formation from nitrate photolysis on model boundary layer surfaces comprised of mixtures of organic matter (citrate and Suwanee River fulvic acid) and environmentally relevant metals (e.g., Al³⁺ and Fe³⁺). Results show that in the presence of organic matter, photochemical yields of NO_<i>y</i> were enhanced by a factor of between 5 and 15 compared with photolysis of pure nitrate controls. Known nitrate photochemistry mechanisms are unable to explain this enhancement, suggesting that a fraction of nitrate is directly converted to NO_<i>y</i> by strong reductants produced photochemically from organic matter. The addition of Fe (hydr)oxides catalyzed both the reduction of NO₂ to HONO and further reduction of HONO to NO via Fe²⁺, which is formed through photoreduction of Fe-organic matter coordination complexes. In addition, this study assesses the contribution of surface acidity and visible light attenuation on the product yields. The results support a growing body of evidence that strong reductants generated photochemically via organic matter are an important and unrecognized pathway for renoxification on both soil and airborne surfaces (e.g., mineral dust and aerosols).</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"8 12","pages":"2587–2598 2587–2598"},"PeriodicalIF":2.9,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142850351","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}

{"title":"Experimental and Theoretical Study of Unsaturated Alcohol Reaction with Cl Atoms: Kinetics, Products, and Mechanisms","authors":"Cici Fan,&nbsp;Weigang Wang*,&nbsp;Bo Shi,&nbsp;Zheng Sun and Maofa Ge*,&nbsp;","doi":"10.1021/acsearthspacechem.4c0026710.1021/acsearthspacechem.4c00267","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00267https://doi.org/10.1021/acsearthspacechem.4c00267","url":null,"abstract":"<p >The relative rate method was used to determine the rate constant of Cl atoms and 3-buten-1-ol at ambient temperature and pressure. The main products of the reaction were identified as HCOOH with a yield of (50.07 ± 2.65)%, HCHO with a yield of (18.24 ± 0.65)%, HOCH₂CHO with a yield of (18.69 ± 0.68)%, ClCH₂CHO with a yield of (7.64 ± 0.25)%, respectively. The rate constant was (3.04 ± 0.36) × 10^–10 cm³ molecules^–1 s^–1_. The calculated theoretical rate constant was 2.91 × 10^–10 cm³ molecules^–1 s^–1, which was in agreement with the experimental results. Moreover, the theoretical calculation showed that the two Cl-addition pathways were the main reaction pathway, but the proportion of H-abstraction pathways reached 29%, and its importance cannot be ignored. Based on this, the possible reaction mechanisms were deduced. The atmospheric implications of the obtained title reaction were briefly discussed.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"8 12","pages":"2621–2632 2621–2632"},"PeriodicalIF":2.9,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142843278","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}

{"title":"Chemical Differences in Environmental Films Collected on Surfaces with Different Hydrophilicity","authors":"Jessica L. DeYoung,&nbsp;Uchechukwu Grace Akporere,&nbsp;Zezhen Cheng,&nbsp;Swarup China,&nbsp;Gregory W. Vandergrift,&nbsp;Christopher R. Anderton,&nbsp;Yadong Zhou,&nbsp;Zihua Zhu and Scott K. Shaw*,&nbsp;","doi":"10.1021/acsearthspacechem.4c0017010.1021/acsearthspacechem.4c00170","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00170https://doi.org/10.1021/acsearthspacechem.4c00170","url":null,"abstract":"<p >Environmental films form when airborne particles and molecular species adsorb on solid surfaces. Recent studies have characterized these films but overlook how collection methods and host-surface character (orientation, chemical functionality, or height) change the deposition process. In this work, environmental films are collected at a rural location on gold and silicon surfaces (water contact angles of ca. 57° and &lt;1°, respectively) to determine how the different substrate changes the properties of the accumulated environmental film. Results show that gold surfaces have a homogeneous distribution of film mass across the surface, while silicon surfaces collect films with irregular patchy domains. The two surfaces also develop different surface coverages and particle number densities, and the particles’ packing arrangements are quantified by analyzing nearest-neighbor distances. Computer-controlled scanning electron microscopy with energy-dispersive X-ray spectroscopy suggests that, despite morphological differences, larger (&gt;5 μm) particles have similar elemental compositions. Minor variations are observed at smaller particle sizes (∼5 μm), which include carbon-rich particles primarily attributed to pollen or biotic activity. Chemical analysis shows the presence of nitrate and sulfate, as well as heterogeneous cation pools on the surfaces.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"8 12","pages":"2411–2419 2411–2419"},"PeriodicalIF":2.9,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsearthspacechem.4c00170","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142850369","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}

{"title":"Long-Term Thermal Stability of Reagents for Capillary Electrophoresis Analysis on Future Spaceflight Missions","authors":"Maria F. Mora,&nbsp;Christopher Pierno,&nbsp;Elizabeth Jaramillo,&nbsp;Aaron C. Noell,&nbsp;Emmanuelle Despagnet-Ayoub* and Peter A. Willis*,&nbsp;","doi":"10.1021/acsearthspacechem.4c0013810.1021/acsearthspacechem.4c00138","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00138https://doi.org/10.1021/acsearthspacechem.4c00138","url":null,"abstract":"<p >A primary goal of future astrobiology missions is the search for the chemical signs of life beyond Earth. Biosignatures indicative of biology can take the form of complex organic molecules or distributions of smaller molecules such as amino acids. To acquire evidence of this second class of biosignatures, separation science is essential. Moreover, when examining polar compounds, liquid-based analysis becomes imperative. Capillary electrophoresis is a powerful liquid-based separation technique ideally suited for the analysis of polar molecules and flight implementation. This technique requires the use of a variety of chemicals, including water, organic solvents, chiral selectors, buffers, and fluorescent dyes. All these chemicals must survive a range of conditions over the multiyear journey to the planetary target of interest. Hence, it is essential to validate that they will function properly after long-term storage in these environments. Here, we demonstrate this for reagents required for capillary electrophoresis analysis coupled with multiple detection systems. Accelerated aging of reagents was performed to simulate storage conditions at 55 °C for 15 years to match possible timelines for future missions to ocean worlds. Following aging, possible chemical alteration of the reagents was interrogated by NMR. Finally, aged reagents were used to perform capillary electrophoresis analysis, and results were compared with those from experiments using fresh reagents. Results indicate that all reagents can perform successful capillary electrophoresis analysis after exposure to thermal conditions equivalent to transport under relevant flight-mission durations (up to 15 years).</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"8 12","pages":"2393–2400 2393–2400"},"PeriodicalIF":2.9,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142850026","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}

{"title":"Probing Interactions at the Organic–Inorganic Interface of Biomass Burning Aerosol: Reactivity of Organic Tracer Species with Different Iron Oxide Mineral Phases","authors":"Jane A. Sedlak,&nbsp;Manal Vishnoi,&nbsp;Kiefer Forsch,&nbsp;Pazinah Bhadha,&nbsp;Sarah M. Aarons and Vicki H. Grassian*,&nbsp;","doi":"10.1021/acsearthspacechem.4c0021210.1021/acsearthspacechem.4c00212","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00212https://doi.org/10.1021/acsearthspacechem.4c00212","url":null,"abstract":"<p >As wildfire events become more frequent, there is a need to better understand the impact of smoke on the environment and human health. Smoke, or biomass burning aerosol (BBA), can undergo atmospheric processing changing its chemical and optical properties. We examined the interactions between four lignin pyrolysis products (catechol, syringol, syringic acid, and vanillic acid) and three BBA-relevant iron oxide mineral phases (hematite, maghemite, and magnetite) using attenuated total reflectance-Fourier transform infrared spectroscopy and dissolved iron measurements to better understand how atmospheric processing changes concentrations of soluble iron, iron oxidation state, and brown carbon abundance. Reductive dissolution was the primary dissolution mechanism for catechol and syringol, which led to a substantial amount of iron release (<i>p</i> &lt; 0.05), whereas syringic and vanillic acids had little impact on dissolution. Comparisons with other BBA relevant compounds highlight the importance of both steric and electronic structures in the reductive dissolution process. The maghemite and magnetite phases, which are more likely to be present in BBA, released significantly more dissolved iron than hematite (<i>p</i> &lt; 0.05), emphasizing the need to use BBA relevant iron oxide proxies in laboratory studies. This work provides insight into observations of iron dissolution and transformation of organics in BBA.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"8 12","pages":"2463–2473 2463–2473"},"PeriodicalIF":2.9,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsearthspacechem.4c00212","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142850027","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}

{"title":"Braunite Synthesized under Simulated Diagenetic Conditions: Implications for the Ancient Manganese Cycle","authors":"Kaitlin N. Koshurba*,&nbsp; and ,&nbsp;Jena E. Johnson,&nbsp;","doi":"10.1021/acsearthspacechem.4c0009210.1021/acsearthspacechem.4c00092","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00092https://doi.org/10.1021/acsearthspacechem.4c00092","url":null,"abstract":"<p >Many manganese minerals are effective paleo-redox proxies due to manganese’s high redox potential and ability to exist in a wide range of valence states. Manganese is largely soluble unless oxidized by oxygen or O₂-related species, so manganese enrichments are typically inferred to indicate the interaction between Mn(II) and oxygen. Braunite [Mn(II)Mn(III)₆O₈(SiO₄)] is a pervasive component of ancient sedimentary manganese deposits, which have been associated with fluxes in global oxygen. Braunite’s sedimentary textures suggest a diagenetic origin; however, the precursor precipitates and postdepositional processes that lead to braunite’s mineralization are poorly constrained. We hypothesized that the requisite conditions for braunite mineralization involve the deposition of a manganese oxide precursor mineral that subsequently undergoes diagenetic reactions with sedimentary aqueous silica and Mn(II). We tested this idea by synthesizing various Mn(III,IV) oxide minerals, along with Mn(II) minerals like rhodochrosite, and aging these synthetic precursors at late-stage diagenetic temperatures in a siliceous solution while including and omitting aqueous Mn(II). At the end of the aging period, we identified that braunite had only formed from Mn(III,IV) oxide precursors. Furthermore, the Mn(III) oxide feitknechtite (Mn(III)OOH) required Mn(II) in solution to transform into braunite, while feitknechtite solutions lacking Mn(II) stabilized into an MnOOH polymorph. Mn(IV) oxides were less stable and could hydrothermally transform into braunite without aqueous Mn(II) under anoxic conditions. The evolution of precursor manganese oxides into braunite upholds this mineral’s capability to be used as an indicator for paleoenvironmental manganese oxidation, and thus most likely implies a past redox boundary where concentrated Mn(II) and O₂ interacted.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"8 12","pages":"2346–2361 2346–2361"},"PeriodicalIF":2.9,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142850025","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}

{"title":"Wavelength- and pH-Dependent Optical Properties of Aqueous Aerosol Particles Containing 4-Nitrocatechol","authors":"Jamie W. Knight,&nbsp;Josephine E. M. Forsythe,&nbsp;Xu Zhang,&nbsp;Aidan Rafferty,&nbsp;Andrew J. Orr-Ewing* and Michael I. Cotterell*,&nbsp;","doi":"10.1021/acsearthspacechem.4c0017910.1021/acsearthspacechem.4c00179","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00179https://doi.org/10.1021/acsearthspacechem.4c00179","url":null,"abstract":"<p >The radiative forcing caused by atmospheric aerosol represents one of the largest uncertainties in climate models. In part, these uncertainties derive from poor characterizations of the optical properties of light-absorbing brown carbon (BrC) containing aerosols. Here, single particle cavity ring-down spectroscopy (SP-CRDS) is used to determine the complex refractive index at the optical wavelength of 405 nm for aqueous particles composed of an abundant BrC species, 4-nitrocatechol. Moreover, the effect of acidity on the complex refractive index of 4-nitrocatechol is explored. UV/visible spectroscopy allows measurement of the wavelength-dependent (from 200 to 800 nm) imaginary refractive index for bulk aqueous solutions of 4-nitrocatechol, for which the pH is adjusted between ∼1 and 13. Applying a physically based refractive index mixing rule, wavelength-dependent imaginary refractive index values are estimated for the fully protonated, singly deprotonated and doubly deprotonated forms of 4-nitrocatechol. A Kramers–Kronig analysis constrained by the 405 nm SP-CRDS and 632.8 nm elastic light scattering measurements gives the wavelength-dependent real refractive index values. The real and imaginary refractive indices are essential for computing the radiative properties of these abundant BrC chromophores in aerosol plumes and cloudwater.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"8 11","pages":"2198–2208 2198–2208"},"PeriodicalIF":2.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsearthspacechem.4c00179","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142691623","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}

{"title":"Wavelength- and pH-Dependent Optical Properties of Aqueous Aerosol Particles Containing 4-Nitrocatechol.","authors":"Jamie W Knight, Josephine E M Forsythe, Xu Zhang, Aidan Rafferty, Andrew J Orr-Ewing, Michael I Cotterell","doi":"10.1021/acsearthspacechem.4c00179","DOIUrl":"10.1021/acsearthspacechem.4c00179","url":null,"abstract":"<p><p>The radiative forcing caused by atmospheric aerosol represents one of the largest uncertainties in climate models. In part, these uncertainties derive from poor characterizations of the optical properties of light-absorbing brown carbon (BrC) containing aerosols. Here, single particle cavity ring-down spectroscopy (SP-CRDS) is used to determine the complex refractive index at the optical wavelength of 405 nm for aqueous particles composed of an abundant BrC species, 4-nitrocatechol. Moreover, the effect of acidity on the complex refractive index of 4-nitrocatechol is explored. UV/visible spectroscopy allows measurement of the wavelength-dependent (from 200 to 800 nm) imaginary refractive index for bulk aqueous solutions of 4-nitrocatechol, for which the pH is adjusted between ∼1 and 13. Applying a physically based refractive index mixing rule, wavelength-dependent imaginary refractive index values are estimated for the fully protonated, singly deprotonated and doubly deprotonated forms of 4-nitrocatechol. A Kramers-Kronig analysis constrained by the 405 nm SP-CRDS and 632.8 nm elastic light scattering measurements gives the wavelength-dependent real refractive index values. The real and imaginary refractive indices are essential for computing the radiative properties of these abundant BrC chromophores in aerosol plumes and cloudwater.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"8 11","pages":"2198-2208"},"PeriodicalIF":2.9,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11587064/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142724480","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}

{"title":"Exploring the Role of Ion–Molecule Reactions on Interstellar Icy Grain Surfaces","authors":"Weikai Cui*,&nbsp; and ,&nbsp;Eric Herbst*,&nbsp;","doi":"10.1021/acsearthspacechem.4c0019410.1021/acsearthspacechem.4c00194","DOIUrl":"https://doi.org/10.1021/acsearthspacechem.4c00194https://doi.org/10.1021/acsearthspacechem.4c00194","url":null,"abstract":"<p >The synthesis of organic molecules in the interstellar medium involves various gas-phase and surface reactions, with dust-grain surfaces playing a particularly crucial catalytic role. While ion-neutral gas-phase reactions and surface reactions are relatively well modeled and documented in databases, the interactions between gaseous ions and neutral species on granular surfaces are less understood. Recent theories propose that ion–molecule reactions on icy interstellar grains could offer efficient and barrierless pathways for the formation of complex organic molecule intermediates. This area remains underexplored in astrochemistry, highlighting the need for standardized modeling and data handling. Our study introduces an Eley–Rideal reaction model, focusing on reactions between gas-phase ions such as C⁺ and HCO⁺ and water ice on grain surfaces within a gas–grain model of cold interstellar clouds. The evolution of the model, including ion–molecule surface reactions, was studied via a three-phase gas–grain chemical network.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":"8 11","pages":"2218–2231 2218–2231"},"PeriodicalIF":2.9,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsearthspacechem.4c00194","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142691408","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}