Journal of CO2 Utilization最新文献

{"title":"Techno-economic analysis of carbon-based additives and process optimization for enhanced hydrogen production in integrated pyrolysis/gasification and carbon capture systems","authors":"Wenxin Lu ,&nbsp;Yuxing Ding ,&nbsp;Zhaoxi Dong ,&nbsp;Xin Peng ,&nbsp;Yue Chai ,&nbsp;Dunfeng Xiao ,&nbsp;Yurong Liu ,&nbsp;Feng Qian ,&nbsp;Iqbal M. Mujtaba","doi":"10.1016/j.jcou.2025.103296","DOIUrl":"10.1016/j.jcou.2025.103296","url":null,"abstract":"<div><div>Overexploitation of fossil fuels leads to issues of energy security and environmental pollution. Integrating carbon capture and utilisation (CCU) with biomass and waste plastics pyrolysis/gasification offers a promising route for simultaneous hydrogen production and CO₂ mitigation. However, hydrogen yield is often limited in such integrated systems. This study developed an Aspen Plus model to evaluate the effects of carbon-based additives, steam flow rate, and reforming temperature on H₂ production and process economics. Results show that application of CCU to pyrolysis/gasification decreases H₂ yield from 5.28 to 4.61 mol/hr, and only a small quantity of carbon additives (0.13 additives-to-feed ratio) can restore the H₂ yield to 5.33 mol/hr, which is higher than the original level of 5.28 mol/hr when no CCU is applied. An optimal steam flowrate is required to balance enhanced H₂ generation against the undesired increase in CO₂ formation that may offset the benefit of carbon capture. 600 °C is identified as the optimal temperature with the highest H₂ yield. Economic analysis also indicates the levelized cost of hydrogen (LCOH) at different operating conditions. A multi-objective optimisation was also performed to find an optimal operating point at 1.50 g/min carbon addition, 8.75 g/min steam flowrate, and 669.92 °C reforming temperature, corresponding to an H₂ yield of 14.04 mol/h and an LCOH of 3.49 $/kg. The findings provide quantitative guidance for optimising integrated pyrolysis/gasification–CCU systems toward industrial deployment.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"103 ","pages":"Article 103296"},"PeriodicalIF":8.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938412","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Wet carbonation potential of Mg- and Al-bearing calcium silicate clinker phases","authors":"Sophia Villmow ,&nbsp;Anika Mielkau ,&nbsp;Maciej Zajac ,&nbsp;Jürgen Neubauer","doi":"10.1016/j.jcou.2025.103288","DOIUrl":"10.1016/j.jcou.2025.103288","url":null,"abstract":"<div><div>In this study, the carbonation behavior of Ca-Mg/Al silicates was investigated in a specially designed wet reactor. The Mg/Al-rich phases studied represent a diverse group of materials, whose carbonation kinetics depend on their chemical composition and crystal structure. The reactions of synthetic akermanite (C₂MS₂), bredigite (C₇MS₄), merwinite (C₃MS₂), and gehlenite (C₂AS) were monitored through continuous pH and temperature measurements, while data on the CO₂ uptake, the dissolution and precipitation of hydrates, and carbonation products were measured by quantitative X-ray diffraction (QXRD) and thermogravimetric analysis (TGA). Under the given conditions, the Ca-Mg silicates exhibited a degree of reaction above 80 % within just three hours. In contrast, the Ca-Al silicate gehlenite showed little to no carbonation potential. Characteristic carbonation and hydration products include CaCO₃ (ACc, calcite, aragonite), (Ca,Mg)CO₃, and amorphous SiO₂ gels.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"103 ","pages":"Article 103288"},"PeriodicalIF":8.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145693455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A novel pre-foaming strategy to manipulate carbon dioxide adsorption and desorption behavior for achieving low-density TPU foams","authors":"Xinyang Li ,&nbsp;Guilong Wang ,&nbsp;Xiebin Wang ,&nbsp;Guoqun Zhao","doi":"10.1016/j.jcou.2025.103294","DOIUrl":"10.1016/j.jcou.2025.103294","url":null,"abstract":"<div><div>Microcellular foaming is one of the most promising method for preparing high-performance polymer foams. Gas diffusion and adsorption behavior can significantly affect the foaming behavior of polymers in microcellular foaming. However, it is still a challenging work to manipulate the gas diffusion and adsorption behavior for achieving desired performance of polymer foams. Herein, a novel pre-foaming strategy was proposed to manipulate carbon dioxide adsorption and desorption behavior for achieving low-density thermoplastic polyurethane (TPU) foams. It was demonstrated that pre-foaming is an efficient method for manipulating the diffusion and adsorption behavior of carbon dioxide in TPU matrix. Thanks to the newly created cellular structure by pre-foaming, both diffusion coefficient and adsorption amount increase gradually with increasing the pre-foamed expansion ratio of TPU. For the pre-foamed expansion ratio of 2.0, the gas solubility was increased by 92.8 %, the diffusion coefficients in adsorption and desorption were increased by 54.0 % and 111.0 %, respectively. Interestingly, pre-foaming can lead to a more perfect crystal structure, while destroying the hydrogen bond structure of TPU chains. Owing to the significantly increased gas adsorption capacity and greatly reduced cell growth resistance, the pre-foaming strategy can lead to remarkably increased expansion ratio of the TPU foams. All the TPU foams prepared without pre-foaming have a maximum expansion ratio less than 4, while those prepared with pre-foaming can have an expansion ratio larger than 16. This new microcellular foaming technique with pre-foaming provides a novel approach for preparing low-density thermoplastic elastomer foams.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"103 ","pages":"Article 103294"},"PeriodicalIF":8.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145749206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advanced solar–geothermal polygeneration system for CO2-based power, hydrogen, and freshwater recovery via transcritical CO2 rankine cycle","authors":"Yassine Bouazzi ,&nbsp;Zakarya Ahmed ,&nbsp;Saman Ahmad Aminian ,&nbsp;Veyan A. Musa ,&nbsp;Mohamed Shaban ,&nbsp;Narinderjit Singh Sawaran Singh ,&nbsp;Wajdi Rajhi ,&nbsp;Borhen Louhichi","doi":"10.1016/j.jcou.2025.103301","DOIUrl":"10.1016/j.jcou.2025.103301","url":null,"abstract":"<div><div>The use of carbon dioxide as a high-performance working-fluid in advanced thermodynamic cycles provides a compelling route for developing low-carbon, multi-output renewable-energy systems. The study develops and assesses an advanced hybrid solar–geothermal polygeneration facility designed to produce electricity, hydrogen, and freshwater under the real resource conditions of the Harrat Rahat geothermal zone in Saudi Arabia. The configuration combines a double-flash geothermal cycle with a Transcritical CO₂ Rankine cycle, a Kalina cycle, an alkaline electrolyser, and a reverse-osmosis desalination unit, supported by parabolic trough solar thermal augmentation. A full 3E+S evaluation—covering energy, exergy, economic, and sustainability metrics—is carried out alongside multi-objective optimization using the Secretary Bird metaheuristic algorithm. Under the real resource inputs of the Harrat Rahat site—geothermal reservoir temperatures exceeding 220 ^°C and mean solar irradiance of ∼6.6 kWh m⁻² day⁻¹, the results show the system could deliver 3.65 MW of net electricity, 9.35 kg.h⁻¹ of hydrogen, and 10.23 m³.h⁻¹ of freshwater, with overall energy and exergy efficiencies of 42.7 % and 38.18 %. Optimization enhances exergy efficiency by about 1.54 % and lowers the levelized cost of energy by roughly 2.2 %, yielding an LCOE of 0.04039 USD/MJ and a sustainability index of 0.238. Exergy-destruction profiling shows that condensers (≈47 %) and the solar thermal subsystem (≈16 %) are the main contributors to irreversibility. Overall, the results indicate that integrating high-enthalpy geothermal resources with concentrated solar power and advanced thermodynamic cycles can deliver a robust, efficient, and economically competitive polygeneration pathway suited to arid regions with strong energy and water needs.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"103 ","pages":"Article 103301"},"PeriodicalIF":8.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145797955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"High-yield solar photocatalytic CO₂ conversion in dense-phase CO₂ via ZnO/CuO/Ti₃C₂ nanosheet heterojunctions with ionic liquids","authors":"Zhe Wang ,&nbsp;Samar Al Jitan ,&nbsp;Hassan A. Salih ,&nbsp;Cyril Aubry ,&nbsp;Thomas Delclos ,&nbsp;Inas AlNashef ,&nbsp;Khalid Al-Ali ,&nbsp;Giovanni Palmisano","doi":"10.1016/j.jcou.2025.103300","DOIUrl":"10.1016/j.jcou.2025.103300","url":null,"abstract":"<div><div>Harnessing solar energy to convert liquid carbon dioxide (CO₂) into chemical fuels presents a promising solution to address both the greenhouse effect and the fossil fuel crisis. In this study, heterogeneous photocatalysts composed of zinc oxide (ZnO) nanocones and semi-hedgehog-like cupric oxide (CuO) nanoparticles were successfully synthesized via a hydrothermal treatment for efficient photocatalytic reduction of liquid CO₂. To further enhance performance, two-dimensional Ti₃C₂ MXene nanosheets (NSs), corresponding to 5 mol% relative to ZnO, were integrated onto the composite photocatalyst surface, enhancing the specific surface area, facilitating interfacial charge transfer, and promoting the separation of photo-generated electron-hole pairs. Furthermore, 1-Ethyl-3methylimidazolium amino-acetate ionic liquid (IL) was utilized to lower the overpotential and enhance CO₂ adsorption and diffusion. This led to a pronounced hydrogenation effect that significantly boosted methane yield in the photocatalytic process. As a result, the ZnO/CuO/Ti₃C₂ NSs/ILs heterojunction nanocomposite demonstrated significantly enhanced photocatalytic activity for dense-phase CO₂ reduction compared to pristine ZnO nanoparticles. Using water as a hydrogen source, ZnO/0.5CuO/Ti₃C₂ NSs exhibit a very high total yield for liquid CO₂ reduction (62 bar and 22 °C), reaching 136.9 mmol h⁻¹ g⁻¹ for CO and 30.2 mmol h⁻¹ g⁻¹ for CH₄ under irradiation of a Xe arc lamp. This remarkable production rate marks a significant step forward in the development of efficient CO₂ reduction systems and presents a promising strategy for advancing solar-driven carbon conversion technologies.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"103 ","pages":"Article 103300"},"PeriodicalIF":8.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145797957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Highly efficient silica adsorbent functionalized with propylene oxide-modified pentaethylenehexamine for CO2 capture under NGCC flue gas conditions","authors":"Ji Hyeon Whang ,&nbsp;Yooseob Won ,&nbsp;A Ra Cho ,&nbsp;Yunji Son ,&nbsp;Yongseon Lee ,&nbsp;Yuntae Hwang ,&nbsp;Dong-Kyu Moon ,&nbsp;Jae-Young Kim ,&nbsp;Sung-Ho Jo ,&nbsp;Young Cheol Park ,&nbsp;Ki Bong Lee ,&nbsp;Dong-Ho Lee","doi":"10.1016/j.jcou.2025.103297","DOIUrl":"10.1016/j.jcou.2025.103297","url":null,"abstract":"<div><div>Carbon capture utilization and storage (CCUS) is a crucial strategy to mitigate climate change, with solid sorbents are promising option due to their energy efficiency. A macroporous silica (MPS) adsorbent functionalized with propylene oxide (PO)-modified pentaethylenehexamine (PEHA) (2.0PO-PEHA/MPS) showed effective CO₂ capture from both coal-fired power plant (CFPP) and natural gas combined cycle (NGCC) flue gases, as confirmed by CO₂ isotherm measurements. Building on our previous work with CFPP flue gas, this study investigates its performance under NGCC conditions using the programmed adsorption–desorption (TPAD) method with a stainless-steel fixed-bed reactor. The optimal conditions were identified as 50 ℃ for adsorption and 120 ℃ for regeneration. Cyclic adsorption–regeneration experiments performed by thermogravimetric analysis (TGA) showed stable working capacity over 20 cycles. Notably, TGA tended to overestimate H₂O uptake because it did not fully account for the competitive adsorption between CO₂ and H₂O. To overcome this limitation, Our TPAD method, a more process-relevant fixed-bed flow approach, was introduced, providing highly reliable and quantitative results (CO₂: 10.28 wt%, H₂O: 3.51 wt%). Based on TPAD data, the theoretical regeneration heat was calculated to be 2.96–79 GJ tCO₂⁻¹ at 120 ℃, representing a relatively low value compared with other materials. These results highlight the potential of 2.0PO-PEHA/MPS for CO₂ capture from NGCC flue gas, underscore the critical role of TPAD-based quantification for accurately determining low regeneration heat, thereby advancing the field of CO₂ capture.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"103 ","pages":"Article 103297"},"PeriodicalIF":8.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145749783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Research on the phase behavior and thermodynamic analysis of CO₂ hydrate in saline systems","authors":"Jiaqi Wang,&nbsp;Jiaxing Liu,&nbsp;Kai Zhang,&nbsp;Si Li,&nbsp;Kun Ge","doi":"10.1016/j.jcou.2025.103277","DOIUrl":"10.1016/j.jcou.2025.103277","url":null,"abstract":"<div><div>Carbon Capture and Storage (CCS) is a critical technology for addressing climate changes, and CO₂ hydrate storage has gained attention due to its high-density potential and stability. This study investigates the phase behavior of CO₂ hydrates in saline conditions through experiments and thermodynamic analysis, providing a theoretical foundation and data support for optimizing sequestration strategies. The results show that in saline solutions, induction time decreases with increasing salt concentration. The maximum gas storage capacity (79.5 mmol/mol) occurs at 0.3 wt% NaCl, but the decomposition stability is weakest. In different salt solutions, the gas storage capacity in Na⁺ systems is 1.82 times higher than in K⁺ systems, while K⁺ systems have stronger decomposition stability (2.56 times longer decomposition time). SO₄²⁻ systems outperform Cl⁻ systems in formation rate and stability. In addition, the hydrate phase equilibrium conditions are significantly influenced by salt concentration, with a maximum temperature shift of 1.0 K, but differences between salt types at the same concentration are negligible. Finally, an improved model incorporating the mechanisms of each system’s influence on hydrate phase behavior is developed to predict phase equilibrium conditions in submarine sediment environments, which achieves less than 0.25 K deviation with high accuracy. This study provides essential data and theoretical support for the engineering application of CO₂ hydrate sequestration technology.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"103 ","pages":"Article 103277"},"PeriodicalIF":8.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145651999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Selective CO2 adsorption over alkali metal cation-exchanged UZM-9 zeolites","authors":"Jakub Halamek ,&nbsp;Martin Kubů ,&nbsp;Branislav Koreň ,&nbsp;Jiří Čejka ,&nbsp;Jan Valenta ,&nbsp;Roman Bulánek","doi":"10.1016/j.jcou.2025.103305","DOIUrl":"10.1016/j.jcou.2025.103305","url":null,"abstract":"<div><div>Adsorption on zeolites reduces CO₂ emissions and cuts the energy costs of processing gas mixtures, such as natural gas, biogas, and landfill gas (CO₂/CH₄ of various concentrations). Among zeolite frameworks, LTA stands out for its CO₂ adsorption and/or separation potential, particularly the Na-LTA zeolite with a Si/Al ratio of ∼5. However, the impact of different cations on the separation efficiency of this system remains unknown. In this study, we tested various alkali-metal-exchanged UZM-9 zeolites (Si/Al = 4.5) for their selective adsorption of CO₂ over CH₄. K⁺-exchanged UZM-9 reached the highest CO₂ affinity, isosteric heat of adsorption, and selectivity, outperforming more commonly used Na⁺ forms. This enhanced performance likely stems from the predominant location of K⁺ in the 8-ring window, which fosters strong CO₂ interactions, potentially <em>via</em> bridging CO₂ species. Due to partial pore blocking, the total uptake may decrease slightly, but the K-UZM-9 system effectively balances CO₂/CH₄ selectivity and adsorption capacity. Therefore, K-UZM-9 emerges as a promising adsorbent for energy-efficient gas separation and carbon capture applications.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"103 ","pages":"Article 103305"},"PeriodicalIF":8.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multi-walled carbon nanotube–integrated Cu–ZnO/Al2O3 catalysts: A hybrid support strategy for structural modulation and efficient CO2 hydrogenation to methanol","authors":"Esmaeil GhasemiKafrudi ,&nbsp;Navid Mostoufi ,&nbsp;Alimorad Rashidi ,&nbsp;Reza Zarghami","doi":"10.1016/j.jcou.2025.103306","DOIUrl":"10.1016/j.jcou.2025.103306","url":null,"abstract":"<div><div>A novel hybrid Cu(30 %)-ZnO(41 %)/Al₂O₃/MWCNT catalyst was developed to enhance hydrogenation of CO₂ to methanol. Multi-walled carbon nanotubes (MWCNTs) were functionalized and incorporated into catalysts with varying carbon contents (0–12 wt%) via co-precipitation. The catalysts were characterized using standard techniques, including XRD, FESEM, TEM, FTIR, Raman spectroscopy, TPR, and CO₂-TPD, to evaluate their structural, morphological, and chemical properties. The results demonstrated that MWCNTs integration significantly improved metal dispersion, prevented particle agglomeration, and enhanced CO₂ adsorption. The experiments showed that, among all catalyst formulations and the two industrial reference samples, the catalyst with 8 wt% MWCNTs exhibited the highest methanol yield (13.4 %) and a 25 % increase in space–time yield compared to the MWCNT-free catalyst (11.0 %). Furthermore, the catalyst demonstrated excellent long-term stability, preserving its structural integrity and catalytic performance over 60 h of continuous operation. The implementation of this hybrid catalyst as a replacement for the MWCNT-free formulation in the CO₂ hydrogenation process resulted in a 6.1 % reduction in total energy demand, which consequently led to a 7.3 % decrease in greenhouse gas emissions (32.5 kg CO₂/ton MeOH). These findings confirm that incorporation of MWCNTs constitutes an effective hybrid-support strategy for structural modulation and performance enhancement in CO₂ hydrogenation catalysts.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"103 ","pages":"Article 103306"},"PeriodicalIF":8.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938413","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multiscale investigation of CO₂ solubility behavior in oil-water mixtures: Experiments, molecular dynamics simulations, and predictive model optimization","authors":"Xuewen Cao ,&nbsp;Jiao Zhou ,&nbsp;Chaoqi Qiu ,&nbsp;Hao Li ,&nbsp;Lvruoxi Zhao ,&nbsp;Jiang Bian","doi":"10.1016/j.jcou.2025.103289","DOIUrl":"10.1016/j.jcou.2025.103289","url":null,"abstract":"<div><div>This study systematically investigates the dissolution behavior and regulatory mechanisms of carbon dioxide (CO₂) in oil-water mixtures through a multiscale approach integrating experiments and molecular dynamics (MD) simulations. Experimental results demonstrate that CO₂ solubility exhibits significant pressure-increasing and temperature-decreasing trends, reaching a peak value of 1.422 mol·L⁻¹ at an oil-to-water ratio of 2:1 (5.2 MPa), which is 37 % higher than the 1:2 ratio. CO₂ solubility in crude oil is 2–3 times higher than in the aqueous phase. MD simulations reveal the enrichment effect of CO₂ at oil-water interfaces (density 1.9 times higher than the bulk phase) and the mass transfer mechanism dominated by interfacial tension reduction (<em>γ</em> decreases from 57.9 to 46.2 mN·m⁻¹). Based on experimental data, the Taylor model (for the oil phase, MRE (Mean relative error) = 1.75 %) and Duan model (for the aqueous phase, MRE = 2.17 %) were optimized. A composite predictive model for oil-water mixtures was developed, achieving an overall MRE of 3.54 %, significantly outperforming traditional models (error reduction by 85 %). This research provides a high-precision theoretical framework for CO₂-enhanced oil recovery (EOR) and carbon sequestration, elucidating the critical role of multiphase interfacial behavior in dissolution kinetics.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"103 ","pages":"Article 103289"},"PeriodicalIF":8.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145693457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}