ACS OmegaPub Date : 2024-12-06eCollection Date: 2024-12-17DOI: 10.1021/acsomega.4c09313
Zhefeng Guo, Yu-Lun Hsieh, Sheng-Lun Lin, Yen-Yi Lee, Timothy H Lee
{"title":"Influence of Renewable Nano-Al<sub>2</sub>O<sub>3</sub> on Engine Characteristics and Health Impact under Variable Injection Timings and Excess Air Coefficients.","authors":"Zhefeng Guo, Yu-Lun Hsieh, Sheng-Lun Lin, Yen-Yi Lee, Timothy H Lee","doi":"10.1021/acsomega.4c09313","DOIUrl":"10.1021/acsomega.4c09313","url":null,"abstract":"<p><p>Nano-Al<sub>2</sub>O<sub>3</sub> derived from recyclable sources emerges as a promising sustainable solution for enhancing diesel engine efficiency while mitigating emissions. However, a lack of an in-depth understanding of the health hazard aspect still challenges its commercial applications. To this end, nano-Al<sub>2</sub>O<sub>3</sub>/diesel (NAD) blends prepared via ultrasonic homogenization were experimentally and analytically investigated under various injection timings and excess air coefficients to explore the potential of nano-Al<sub>2</sub>O<sub>3</sub> for balancing energy performance and emissions. Results revealed a synergistic effect between the NAD blends and optimized combustion control strategies. NAD blends presented enhanced heat release and pressure rise rates even under late injection or hypoxic conditions, indicating a faster and more complete combustion. Specifically, NAD blends promoted the partially premixed combustion phase and reduced postcombustion duration. While a slight increase in fuel consumption and a decrease in thermal efficiency were observed, potentially due to minor chamber compatibility issues, a significant improvement in emissions was identified. NAD blends effectively mitigated the well-known soot-particulate number-nitrogen oxide (NOx) trade-off inherent in diesel engines. NAD blends achieved lower NOx emissions through the even temperature distribution promoted by nano-Al<sub>2</sub>O<sub>3</sub>, minimizing the formation of NOx precursors. Simultaneously, NAD blends contributed to a reduction in soot emissions as well as an increment in nucleation mode particles, which are smaller and more harmful than conventional engine-out particulates. Notably, deposition modes highlighted that a higher nano-Al<sub>2</sub>O<sub>3</sub> addition leads to an increase in nucleation mode particles, resulting in a higher alveolar deposition (<i>d</i> <sub>p</sub> = 5-100 nm) and lower nasal deposition (<i>d</i> <sub>p</sub> = 200-800 nm). These findings suggest that, by optimizing injection timing and excess air coefficients, NAD blends offer a promising approach to enhance combustion and achieve cleaner emissions simultaneously, making them a valuable contribution to the development of more sustainable diesel engine technologies.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"9 50","pages":"49966-49979"},"PeriodicalIF":3.7,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11656600/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875407","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}
ACS OmegaPub Date : 2024-12-06eCollection Date: 2024-12-17DOI: 10.1021/acsomega.4c07843
Sumin Jin, Surendra Kumar, Mi-Hyun Kim
{"title":"Structure-Based QSAR Modeling of RET Kinase Inhibitors from 49 Different 5,6-Fused Bicyclic Heteroaromatic Cores to Patent-Driven Validation.","authors":"Sumin Jin, Surendra Kumar, Mi-Hyun Kim","doi":"10.1021/acsomega.4c07843","DOIUrl":"10.1021/acsomega.4c07843","url":null,"abstract":"<p><p>RET receptor tyrosine kinase is crucial for nerve and tissue development but can be an important oncogenic driver. This study focuses on exploring the design principles of potent RET inhibitors through molecular docking and 3D-QSAR modeling of 5,6-fused bicyclic heteroaromatic derivatives. First of all, RET inhibitors of 49 different bicyclic substructures were collected from five different data sources and selected through molecular docking simulations. QSAR models were built from the 3399 conformers of 952 RET inhibitors using the partial least-squares method and statistically evaluated. The optimal QSAR model exhibited high predictive performance, with <i>R</i> <sup>2</sup> (of training data) and <i>Q</i> <sup>2</sup> (of test data) values of 0.801 and 0.794, respectively, effectively predicting known inhibitors. The optimal model was doubly verified by patent-filed RET inhibitors as the out-of-set data to demonstrate acceptable residual analysis results. Moreover, feature importance analysis of the QSAR model outlined the impact of substituent characteristics on the inhibitory activity within the 5,6-fused bicyclic heteroaromatic core structures. Furthermore, the relationship between structure and inhibitory activity was successfully applied to the RET screening of known clinical and nonclinical kinase inhibitors to afford accurate off-target prediction.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"9 50","pages":"49662-49673"},"PeriodicalIF":3.7,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11656239/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875457","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":"Formulation of Polymer-Augmented Surfactant-Based Oil–Water Microemulsions for Application in Enhanced Oil Recovery","authors":"Debanjan Ray, Lavisha Jangid, Dinesh Joshi, Shubham Prakash, Keka Ojha, Ofer Manor and Ajay Mandal*, ","doi":"10.1021/acsomega.4c0982910.1021/acsomega.4c09829","DOIUrl":"https://doi.org/10.1021/acsomega.4c09829https://doi.org/10.1021/acsomega.4c09829","url":null,"abstract":"<p >This research explores the development of engineered oil–water microemulsions stabilized by a synergistic combination of polymer and surfactant to enhance stability and interfacial properties for improved enhanced oil recovery (EOR). Conventional surfactant-stabilized emulsions often suffer from phase instability and limited wettability alteration during water flooding and chemical injection, hindering the EOR efficiency. In contrast, our formulations incorporating polymers significantly increase the emulsion viscosity and resilience to temperature fluctuations, resulting in enhanced phase stability. Experimental investigations reveal that while the water-microemulsion interfacial tension (IFT) increases with salinity, the oil-microemulsion IFT decreases substantially, achieving an optimal IFT of 4.43 × 10<sup>–4</sup> mN/m at balanced salinity levels. The microemulsions exhibit remarkable stability across varying temperatures, successfully transitioning between Winsor type II and III phases, which is critical for effective EOR applications. Notably, the addition of polymers enhances the viscosity of the surfactant-stabilized emulsion from 50 mPa·s at a shear rate of 10 s<sup>–1</sup> to 300 mPa·s, significantly improving emulsion stability, as confirmed by measured zeta potential values of −31.1 mV for the surfactant system and −33.2 mV for the polymer-augmented surfactant system. These enhancements contribute to improved sweep efficiency during the oil recovery processes. Furthermore, the microemulsions effectively alter the sandstone wettability from oil-wet to water-wet, promoting better oil displacement. Core flooding experiments demonstrate that injecting one pore volume of the polymer-augmented surfactant-stabilized microemulsion results in an additional 20.58% oil recovery compared with conventional water flooding.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"9 50","pages":"50024–50040 50024–50040"},"PeriodicalIF":3.7,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c09829","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142842452","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}
ACS OmegaPub Date : 2024-12-06DOI: 10.1021/acsomega.4c0741910.1021/acsomega.4c07419
Beata Salamon-Baran*, Jan Kapała, Leszek Rycerz and Irena Szczygieł,
{"title":"Thermodynamics of Tl2PrBr5 Compound and Re-examination of Phase Equilibria in the PrBr3–TlBr System","authors":"Beata Salamon-Baran*, Jan Kapała, Leszek Rycerz and Irena Szczygieł, ","doi":"10.1021/acsomega.4c0741910.1021/acsomega.4c07419","DOIUrl":"https://doi.org/10.1021/acsomega.4c07419https://doi.org/10.1021/acsomega.4c07419","url":null,"abstract":"<p >The PrBr<sub>3</sub>–TlBr phase diagram was first established in the 1970s. Due to some inaccuracies, it was redetermined using differential scanning calorimetry. The results obtained differ significantly from those in the literature, which has been discussed in this paper. Only one congruently melting Tl<sub>2</sub>PrBr<sub>5</sub> was confirmed, and the thermodynamic characterization of molar heat capacity temperature dependence was carried out for this compound. The compatibility of the obtained data was examined by using the CALPHAD method. The dependences of mixing enthalpy and mixing entropy of the liquid phase on the mole fraction were estimated.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"9 50","pages":"49539–49544 49539–49544"},"PeriodicalIF":3.7,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c07419","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142850270","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}
ACS OmegaPub Date : 2024-12-06DOI: 10.1021/acsomega.4c0656610.1021/acsomega.4c06566
Jakub S. Cyniak, and , Artur Kasprzak*,
{"title":"Mechanochemical Synthesis of Molecular Chemoreceptors","authors":"Jakub S. Cyniak, and , Artur Kasprzak*, ","doi":"10.1021/acsomega.4c0656610.1021/acsomega.4c06566","DOIUrl":"https://doi.org/10.1021/acsomega.4c06566https://doi.org/10.1021/acsomega.4c06566","url":null,"abstract":"<p >The design of environmentally friendly methods for synthesizing molecular receptors is an expanding area within applied organic chemistry. This work systematically summarizes advances in the mechanochemical synthesis of molecular chemoreceptors. It discusses key achievements related to the synthesis of chemoreceptors containing azine, Schiff base, thiosemicarbazone, hydrazone, rhodamine 6G, imide, or amide moieties. Additionally, it highlights the application potential of mechanochemically synthesized molecular chemoreceptors in the recognition of ions and small molecules, along with a discussion of the mechanisms of detection processes.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"9 50","pages":"48870–48883 48870–48883"},"PeriodicalIF":3.7,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c06566","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142842294","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}
ACS OmegaPub Date : 2024-12-06DOI: 10.1021/acsomega.4c0339010.1021/acsomega.4c03390
Yuzuki Amino, Ayar Al-zubaidi, Yosuke Ishii and Shinji Kawasaki*,
{"title":"Photocatalytic Estrogen Degradation by the Composite of Tin Oxide Fine Particles and Graphene-like Carbon Nitride","authors":"Yuzuki Amino, Ayar Al-zubaidi, Yosuke Ishii and Shinji Kawasaki*, ","doi":"10.1021/acsomega.4c0339010.1021/acsomega.4c03390","DOIUrl":"https://doi.org/10.1021/acsomega.4c03390https://doi.org/10.1021/acsomega.4c03390","url":null,"abstract":"<p >This study investigates whether 17β-estradiol (E2), a natural estrogen and one of the endocrine-disrupting chemicals responsible for water pollution, can be oxidatively decomposed under simulated solar light using a composite of tin oxide nanoparticles and graphene-like carbon nitride (g-CN) as a photocatalyst. The composite photocatalyst was prepared by heating a mixture of urea and tin acetate. FT-IR measurements revealed that g-CN possesses structural units similar to g-C<sub>3</sub>N<sub>4</sub>, a well-studied graphite-like carbon nitride. However, unlike g-C<sub>3</sub>N<sub>4</sub>, sharp diffraction lines were not observed in the XRD diffraction pattern of g-CN, indicating lower crystallinity. Elemental analysis showed that g-CN is slightly nitrogen-rich compared to g-C<sub>3</sub>N<sub>4</sub>, and UV–vis measurements indicated that the band gap of g-CN is slightly smaller than that of g-C<sub>3</sub>N<sub>4</sub>. The presence of tin in the composite of tin oxide and g-CN was clearly confirmed by XPS, although no sharp diffraction peaks were observed in the XRD patterns, suggesting the presence of microcrystals. Furthermore, FE-SEM observations did not reveal large tin oxide crystals, although EDS mapping indicated the presence of tin oxide. It was found that the prepared tin oxide and g-CN composites function effectively as photocatalysts for degrading E2 under simulated solar light. The degradation rate constant was evaluated to be <i>k</i> = 3.34 (0.14) × 10<sup>–2</sup> min<sup>–1</sup>. Peroxide ion radicals were detected in ESR measurements from the irradiated solution, suggesting that peroxide ion radicals are generated through oxygen photoreduction as the counter-reaction of the oxidative decomposition of E2.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"9 50","pages":"49064–49070 49064–49070"},"PeriodicalIF":3.7,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c03390","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142849858","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}
ACS OmegaPub Date : 2024-12-06eCollection Date: 2024-12-17DOI: 10.1021/acsomega.4c06830
Kyunghoon Han, Ariadni Boziki, Alexandre Tkatchenko, Joshua T Berryman
{"title":"TIHI Toolkit: A Peak Finder and Analyzer for Spectroscopic Data.","authors":"Kyunghoon Han, Ariadni Boziki, Alexandre Tkatchenko, Joshua T Berryman","doi":"10.1021/acsomega.4c06830","DOIUrl":"10.1021/acsomega.4c06830","url":null,"abstract":"<p><p>Complex signal vectors, particularly spectra, are integral to many scientific domains. Interpreting these signals often involves decomposing them into contributions from independent components and subtraction or deconvolution of the channel and instrument noise. Despite the fundamental nature of this task, researchers frequently rely on costly commercial tools. To make such tools accessible to all, we present <i>Tihi</i>, interactive, open-source multiplatform software for interpolation, denoising, baseline correction, peak detection, and signal decomposition. <i>Tihi</i> provides a user-friendly graphical interface (GUI) that facilitates the analysis of spectroscopic data and more. It allows researchers to contribute to and freely distribute these tools, ensuring broad accessibility and fostering collaborative improvements. We present examples demonstrating the efficiency of the program using the spectra of different systems acquired by different spectroscopic techniques, including Raman (aspirin), IR (solid ammonia), XRD (anatase), and UV-vis (petal tip from the <i>Puya alpestris</i> flower). These examples showcase a variety of spectra that differ significantly, from signals with narrow profiles to signals with very broad profiles. This demonstrates the versatility of <i>Tihi</i> for peak identification in a wide range of spectroscopic techniques.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"9 50","pages":"49397-49410"},"PeriodicalIF":3.7,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11656381/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875467","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}
ACS OmegaPub Date : 2024-12-06DOI: 10.1021/acsomega.4c0748010.1021/acsomega.4c07480
Eyob Wondu, Wondu Lee, Minsu Kim, Dabin Park and Jooheon Kim*,
{"title":"Phase Change Materials for Energy Storage Applications from PEG and PBAT with AlN and CNT as Fillers","authors":"Eyob Wondu, Wondu Lee, Minsu Kim, Dabin Park and Jooheon Kim*, ","doi":"10.1021/acsomega.4c0748010.1021/acsomega.4c07480","DOIUrl":"https://doi.org/10.1021/acsomega.4c07480https://doi.org/10.1021/acsomega.4c07480","url":null,"abstract":"<p >This study investigates the fabrication of phase change material–poly(butylene adipate-<i>co</i>-terephthalate) (PCM–PBAT) composites through melt blending techniques, focusing on the impact of isophorone diisocyanate (IPDI) treatment on carbon nanotubes (CNTs) and (3-aminopropyl)triethoxysilane (APTES) treatment on aluminum nitride (AlN) particles. Analysis of mechanical properties highlights an enhancement in tensile strength with APTES-treated AlN particles, while dynamic mechanical analysis (DMA) reveals an increase in stiffness. Laser flash analysis (LFA) investigation demonstrates a significant increase, up to 325%, in thermal conductivity compared to PCM–PBAT composites without filler. Moreover, the fabricated composites exhibit enhanced latent heat storage capabilities, with the PCM–PBAT composite containing 30% filler (20PCM–PBAT–30F) showing promising latent heat values. These findings underscore the efficacy of selecting an appropriate PCM–PBAT ratio and surface functionalization of the filler particles in enhancing the latent heat storage and thermal and mechanical properties of the polymer composites, suggesting their potential application across diverse fields.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"9 50","pages":"49557–49565 49557–49565"},"PeriodicalIF":3.7,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c07480","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142842500","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}
ACS OmegaPub Date : 2024-12-06DOI: 10.1021/acsomega.4c0722210.1021/acsomega.4c07222
Wenjun Pang, Jing Li*, Shixin Zhou*, Liangliang Liu, Yaoyu Li, Hao Wang and Gengrong Chen,
{"title":"Origin, Distribution, and Influential Factors of Organic Acids in Deep and Ultradeep Clastic Reservoirs within the Fukang Sag of the Junggar Basin","authors":"Wenjun Pang, Jing Li*, Shixin Zhou*, Liangliang Liu, Yaoyu Li, Hao Wang and Gengrong Chen, ","doi":"10.1021/acsomega.4c0722210.1021/acsomega.4c07222","DOIUrl":"https://doi.org/10.1021/acsomega.4c07222https://doi.org/10.1021/acsomega.4c07222","url":null,"abstract":"<p >In deep and ultradeep clastic reservoirs, secondary porosity functions as the primary space for hydrocarbon storage, intricately associated with the dissolution processes of water-soluble organic acids (WSOAs). However, conventional theories concerning secondary porosity predominantly emphasize medium-depth or shallow reservoirs, lacking a thorough investigation into how WSOA-driven mechanisms affect deeper strata formations. To bridge this gap, our research involved selecting 36 samples from Mesozoic Permian clastic rock formations situated in western China’s Fukang Sag within the Junggar Basin region. We performed comprehensive analyses utilizing the Soxhlet extraction method combined with qualitative and quantitative assessments via 940 ion chromatography (Metrohm AG). These findings were integrated with oilfield production data to investigate the sources, composition, distribution characteristics, and influencing factors associated with organic acids in deep and ultradeep clastic reservoirs. Our investigation revealed that WSOAs persist even within ultradeep reservoirs; increased buried depths initially lead to a rise in WSOA concentrations followed by a subsequent decline. Similarly, effective porosities closely mirrored these trends alongside variations observed across WSOA concentrations while permeability remained consistently low yet stable throughout these transitions. This indicated significant involvement of WSOAs during dissolution processes contributing to the creation and maintenance of secondary pore spaces. Furthermore, notable positive correlations have emerged establishing a direct relationship between WSOA generation concentrations and corresponding shifts in formation pressures and temperatures. In deep and ultradeep reservoirs, the concentration of organic acids exhibits an initial increase followed by a subsequent decrease in response to escalating formation temperature and pressure. These findings underscore the critical roles played by key influential factors associated with WSOAs in these geological settings.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"9 50","pages":"49480–49493 49480–49493"},"PeriodicalIF":3.7,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsomega.4c07222","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142850083","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":"Origin, Distribution, and Influential Factors of Organic Acids in Deep and Ultradeep Clastic Reservoirs within the Fukang Sag of the Junggar Basin.","authors":"Wenjun Pang, Jing Li, Shixin Zhou, Liangliang Liu, Yaoyu Li, Hao Wang, Gengrong Chen","doi":"10.1021/acsomega.4c07222","DOIUrl":"10.1021/acsomega.4c07222","url":null,"abstract":"<p><p>In deep and ultradeep clastic reservoirs, secondary porosity functions as the primary space for hydrocarbon storage, intricately associated with the dissolution processes of water-soluble organic acids (WSOAs). However, conventional theories concerning secondary porosity predominantly emphasize medium-depth or shallow reservoirs, lacking a thorough investigation into how WSOA-driven mechanisms affect deeper strata formations. To bridge this gap, our research involved selecting 36 samples from Mesozoic Permian clastic rock formations situated in western China's Fukang Sag within the Junggar Basin region. We performed comprehensive analyses utilizing the Soxhlet extraction method combined with qualitative and quantitative assessments via 940 ion chromatography (Metrohm AG). These findings were integrated with oilfield production data to investigate the sources, composition, distribution characteristics, and influencing factors associated with organic acids in deep and ultradeep clastic reservoirs. Our investigation revealed that WSOAs persist even within ultradeep reservoirs; increased buried depths initially lead to a rise in WSOA concentrations followed by a subsequent decline. Similarly, effective porosities closely mirrored these trends alongside variations observed across WSOA concentrations while permeability remained consistently low yet stable throughout these transitions. This indicated significant involvement of WSOAs during dissolution processes contributing to the creation and maintenance of secondary pore spaces. Furthermore, notable positive correlations have emerged establishing a direct relationship between WSOA generation concentrations and corresponding shifts in formation pressures and temperatures. In deep and ultradeep reservoirs, the concentration of organic acids exhibits an initial increase followed by a subsequent decrease in response to escalating formation temperature and pressure. These findings underscore the critical roles played by key influential factors associated with WSOAs in these geological settings.</p>","PeriodicalId":22,"journal":{"name":"ACS Omega","volume":"9 50","pages":"49480-49493"},"PeriodicalIF":3.7,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11656257/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875381","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}