Journal of CO2 Utilization最新文献

{"title":"Exploring a new silica-supported Brønsted-Lewis ionic liquid catalyst for the cycloaddition of CO2 and propylene oxide: A combined experimental and computational study","authors":"Heriberto Díaz Velázquez ,&nbsp;Karla Vanessa Vega-Calleja ,&nbsp;Raju Lipin ,&nbsp;Matthias Vandichel ,&nbsp;Luis Eduardo Quintero-Mondragón ,&nbsp;Jazmín N. Castillo-Cervantes ,&nbsp;José Gonzalo Hernández-Cortez ,&nbsp;Rafael Martínez-Palou","doi":"10.1016/j.jcou.2025.103048","DOIUrl":"10.1016/j.jcou.2025.103048","url":null,"abstract":"<div><div>The field of liquid phase catalysis has explored the replacement of traditional solvents with ionic liquids, as well as the use of ionic liquids as catalyst. Herein, a novel silica-supported Fe-based Brønsted-Lewis functionalized ionic liquid (BLsIL-Fe) was synthesized and used as a catalyst for the cycloaddition of CO₂ to propylene oxide, yielding propylene carbonate. The catalyst was prepared by grafting a sulfonic acid-functionalized imidazole with a FeCl₄^- complex anion onto a commercial silica support (silica gel 60). The effects of temperature, pressure, catalyst loading, and reaction time on the catalytic activity of BLsILs were investigated. Our findings reveal that our catalyst remained active at a low catalyst loading of 0.18 mol% (active sites per mol of propylene oxide) at 120 °C, achieving up to 90.5 % conversion with a propylene carbonate selectivity above 97.0 % after four hours. The catalyst demonstrated reusability through a simple filtration and washing procedure, maintaining its catalytic activity over five cycles. Plausible catalytic reaction pathways for the CO₂ valorization process using BLsILs were elucidated using density functional theory, revealing that the ring-closing step is the rate determining step. Overall, the work opens new avenues for designing dual-acid functionalized ILs, enhancing performance across a wide range of catalytic reactions.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"94 ","pages":"Article 103048"},"PeriodicalIF":7.2,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143562501","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Utilization of waste rock from a low-carbon perspective: Mechanical performance analysis of waste rock-cemented tailings backfill","authors":"Junzhou Huang ,&nbsp;Cai Wu ,&nbsp;Nanhui Huang ,&nbsp;Lan Deng ,&nbsp;Daopei Zhu","doi":"10.1016/j.jcou.2025.103058","DOIUrl":"10.1016/j.jcou.2025.103058","url":null,"abstract":"<div><div>To promote low-carbon concepts, conserve resources, and enhance the utilization efficiency of waste rock (W<em>R</em>) and tailings, this study investigated the mechanical performance and destruction characteristics of waste rock-cemented tailings backfill (WRCTB) under layered placement. Through uniaxial compressive strength (UCS) experiments to assess WRCTB specimens under different W<em>R</em> contents and grain sizes, accompanied by scanning electron microscopy (SEM) analysis of their microstructure. The results indicate that with an increase in W<em>R</em> content, the UCS of the WRCTB specimens gradually increased, with an optimal content of 50 %. Additionally, as the grain sizes of the W<em>R</em> increased, the WRCTB specimens’ UCS initially increased and then decreased, where the optimal grain size was 3–7 mm. Compared with the control group (N-WRCTB), the WRCTB specimens’ UCS showed a maximum improvement of 57.9 %. The WRCTB specimens exhibited higher total energy density, dissipated energy density, and elastic strain energy density, with the incorporation of waste rock resulting in a transition from brittle to ductile failure behavior, demonstrating more excellent toughness. Furthermore, the addition of W<em>R</em> altered the failure mode of the WRCTB specimens, shifting the primary failure mechanism from shear to tensile. Cracks developed from the mid-layer, leading to a multi-crack failure mechanism. This research provides valuable perspectives into the effective utilization of solid waste in mining and the design of WRCTB.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"94 ","pages":"Article 103058"},"PeriodicalIF":7.2,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Accelerated carbonate weathering by immobilized recombinant carbonic anhydrase","authors":"Io Antonopoulou ,&nbsp;Ayanne de Oliveira Maciel ,&nbsp;Marikagiusy Di Giacomo ,&nbsp;Maria Elena Russo ,&nbsp;Ulrika Rova ,&nbsp;Paul Christakopoulos ,&nbsp;Piero Salatino ,&nbsp;Antonio Marzocchella","doi":"10.1016/j.jcou.2025.103050","DOIUrl":"10.1016/j.jcou.2025.103050","url":null,"abstract":"<div><div>CO₂ absorption in aqueous alkaline solutions promoted by carbonic anhydrase (CA) has received increased attention as a solution for post-combustion CO₂ capture. In particular, accelerated weathering has emerged as an alternative approach for CO₂ capture, mimicking nature’s way to sequestrate CO₂. In this study, an evolved CA from <em>Desulfovibrio vulgaris</em> was immobilized on magnetic nanoparticles (MNPs) offering a promising solution for the effective enzyme separation and recovery from complex and heterogeneous reaction media. The immobilization yields were high (86–98 %) and MNPs-D<em>v</em>CA8.0 were characterized based on standardized CO₂ release and CO₂ absorption assays and compared to the free enzyme. As a following step, MNPs-D<em>v</em>CA8.0 were applied as promoter in the accelerated weathering of insoluble lime mud, originating as a residue from a paper and pulp industry. MNPs-D<em>v</em>CA8.0 could be efficiently separated, washed and reused for up to 10 consecutive reaction cycles, offering a biocatalyst productivity equal to 2.83 g captured CO₂/g CA opposite to the free enzyme that offered only 1.01 g captured CO₂/g CA. CA immobilization could offer a mitigation strategy for the non-selective adsorption of the free enzyme on lime mud particles during the CO₂ capturing reaction. The highly reproducible and robust immobilization method, that provides material separation based on its magnetic properties, could be a viable solution for the recovery of enzyme and its separation from the lime mud slurry, aiding in obtaining a highly pure solution rich in bicarbonate, as product.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"94 ","pages":"Article 103050"},"PeriodicalIF":7.2,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551000","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Coupling Ni-based anodes for textile industry process stream electrooxidation with electrocatalytic CO2 reduction to formate in gas phase","authors":"Jose Antonio Abarca ,&nbsp;Ghazaleh Abdolhosseini ,&nbsp;Juan Marcos Sanz ,&nbsp;Jose Solla-Gullón ,&nbsp;Felipe A. Garcés-Pineda ,&nbsp;Guillermo Díaz-Sainz ,&nbsp;Angel Irabien","doi":"10.1016/j.jcou.2025.103053","DOIUrl":"10.1016/j.jcou.2025.103053","url":null,"abstract":"<div><div>Scaling up CO₂ electroreduction to formate faces several challenges, including using chemicals as electrolytes and high energy demands. To address these issues, this study uses an industrial stream—specifically a caustic soda stream from the textile industry—as anolytes for the oxygen evolution reaction (OER). Using this approach, formate concentrations of 226 g L⁻¹ and Faradaic efficiencies (FE) of 53 % are achieved at 200 mA cm⁻², demonstrating the competitiveness of industrial streams compared to synthetic anolyte solutions. Various anode materials are tested to optimize OER kinetics under industrial conditions and reduce energy consumption. Ni foam exhibited promising results, achieving FEs of 78 % and 58 % at 90 and 200 mA cm⁻², with energy consumption between 236 and 385 kWh kmol⁻¹ , making it one of the most efficient options among commercially available materials. In addition, alternative materials, such as NiFeOx and NiZnFeOx particulate anodes, are synthesized to provide viable substitutes for commercial anodes that rely on scarce elements. These alternatives demonstrated similar formate concentrations, with FEs up to 74 % and reduced energy requirements compared to commercial NiO. The synthesized NiFe foam anode excelled in performance, with energy consumption below 210 and 380 kWh kmol⁻¹ and an impressive formate production of 255 g L⁻¹ of formate achieving a 60 % FE at 200 mA cm⁻². Overall, this research demonstrates the feasibility of CO₂ electroreduction to formate using textile effluents under relevant conditions, representing a significant step toward making this process a competitive option for decarbonizing hard-to-abate industries.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103053"},"PeriodicalIF":7.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"CO2 capture from air and its conversion to CH4 using dual functional materials supported on high surface area graphite","authors":"Jorge Moral-Pombo ,&nbsp;Enrique García-Bordejé ,&nbsp;Yuefeng Liu ,&nbsp;Antonio Guerrero-Ruiz ,&nbsp;Inmaculada Rodríguez-Ramos","doi":"10.1016/j.jcou.2025.103054","DOIUrl":"10.1016/j.jcou.2025.103054","url":null,"abstract":"<div><div>Several cycles of CO₂ capture from synthetic air containing 400 ppm of CO₂ and subsequent conversion to CH₄ have been performed using dual functional materials consisting of 4 wt% Ru and 10 wt% Ba or Cs supported on a high surface area graphite. The effect of the presence of humidity and the regeneration conditions have been assessed. The presence of moisture in the air enhances CO₂ capture. The capture material is not properly regenerated in the absence of H₂-containing atmosphere or at temperatures below 300 ºC. The exhaustive characterization by XRD, XPS, TEM and temperature programmed reduction and reaction allowed to shed some light about the reasons of the different behavior of Ba and Cs based dual functional materials. Cs is more efficiently utilized than Ba, providing higher CO₂ capture capacities (0.44 mmol g⁻¹) and CH₄ productivity (0.41 mmol g⁻¹). The outperformance of Cs is attributed to the more homogeneous and better dispersed species which are regenerated at lower temperatures.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103054"},"PeriodicalIF":7.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143547859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Light-driven eosin Y-Ralstonia eutropha biohybrid for CO2 conversion to acetoin via specific photo-induced electron transfer and metabolic engineering","authors":"Yao Tian ,&nbsp;Zhiqi Guo ,&nbsp;Jiaping He ,&nbsp;Dake Xu ,&nbsp;Wen-Wei Li ,&nbsp;Shaoan Cheng ,&nbsp;Hao Song","doi":"10.1016/j.jcou.2025.103051","DOIUrl":"10.1016/j.jcou.2025.103051","url":null,"abstract":"<div><div>Whole-cell photosynthetic biohybrid systems offer a promising route for CO₂ conversion into value-added chemicals. However, many existing systems suffer from inefficient electron transfer to intracellular catalytic CO₂ center, which arises from non-specific charge transfer between photosensitizer and microbe. Herein, we developed an efficient eosin Y-<em>Ralstonia eutropha</em> biohybrid system that achieved targeted electron transfer for powering CO₂ reduction into acetoin, a valuable platform chemical with broad applications. By spontaneously attaching eosin Y to the membrane-bound hydrogenase (MBH) of <em>R. eutropha</em>, we enabled direct and specific electron flow. The biohybrid system demonstrated sustainable and efficient light-energized CO₂ conversion to acetoin, even surpassing the yields from H₂-supplied autotrophic fermentation, which is considered the optimal source of reducing equivalents and energy for CO₂ fixation by <em>R. eutropha</em>. Mechanistic investigations indicated that the photo-induced electrons from eosin Y were transferred to MBH, resulting in the formation of H₂ intermediate in periplasm, which was subsequently oxidized by cytosolic soluble hydrogenase to generate NADH for energizing CO₂ fixation. To further enhance efficiency, metabolic engineering was applied to boost ATP synthesis by introducing a non-oxygen-dependent proton pump (<em>Gloeobacter</em> rhodopsin), while blocking L-lactate and acetate biosynthesis pathways to divert carbon flux toward acetoin production. The engineered eosin Y-<em>R. eutropha</em> biohybrid system achieved an acetoin yield of 1.41 ± 0.06 mM, representing 2.07 times greater than that of H₂-supplied autotrophic fermentation. This system exemplifies a sustainable, light-driven CO₂ conversion process, contributing significantly to the advancement of sustainable biocatalytic processes in the realms of green chemistry and CO₂ management.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103051"},"PeriodicalIF":7.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143510743","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Analysis of CO2 solubility in ionic liquids as promising absorbents using response surface methodology and machine learning","authors":"Alireza Rahimi,&nbsp;Fatemeh Bahmanzadegan,&nbsp;Ahad Ghaemi","doi":"10.1016/j.jcou.2025.103043","DOIUrl":"10.1016/j.jcou.2025.103043","url":null,"abstract":"<div><div>This study explored CO₂ solubility in ionic liquids using Response Surface Methodology (RSM) and Artificial Neural Networks (ANNs), specifically Multilayer Perceptron (MLP) and Radial Basis Function (RBF) networks, to model and optimize absorption processes. In our study, we analyzed several ionic liquids (ILs), including [bmim][PF6], [P(5) mpyrr][Tf2N], [mp(3)pip][FSI], [mp(3)pyrr][FSI], [N1223][FSI], [bmmim][Tf2N], and [P4441][Tf2N], chosen for their unique properties such as high thermal stability and ionic conductivity. Experimental data analysis identified mass, viscosity, pressure, molar concentration, and surface tension as key influencing parameters. RSM demonstrated excellent fit with an R² of 0.9999, while ANNs exhibited superior predictive accuracy, with R² values approaching unity. The MLP network, employing a two-layer training activation function, achieved a minimum Mean Squared Error (MSE) of 0.001082 for test data. The RBF network with 26 neurons and a spread of 2 reached a minimum MSE of 0.0011252. 3D response surface analyses of MLP, RBF, and RSM revealed intricate parameter interdependencies. Increased ionic liquid mass enhances CO₂ absorption by expanding the interaction space and providing more binding sites. Elevated pressure significantly increases solubility by compressing the gas phase and driving more CO₂ molecules into the liquid. Higher viscosity impedes CO₂ movement within the liquid, while lower viscosity facilitates faster diffusion. A higher molar concentration of CO₂ in the gas phase increases the driving force for absorption, leading to a greater influx of CO₂ into the ionic liquid. While RSM surfaces exhibited rigid, polynomial-based trends, the smoother MLP plots effectively captured complex nonlinearities, highlighting ANNs' superior predictive capabilities for optimizing CO₂ capture systems in ionic liquids.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103043"},"PeriodicalIF":7.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520034","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Techno-economic analysis of integrating an on-board CCS system and a PtG technology in a heavy vehicle fleet","authors":"Alexander García Mariaca ,&nbsp;Jorge Perpiñán ,&nbsp;Uriel Fernando Carreño Sayago","doi":"10.1016/j.jcou.2025.103046","DOIUrl":"10.1016/j.jcou.2025.103046","url":null,"abstract":"<div><div>Decarbonising the heavy-duty transport sector requires switching internal combustion engine (ICE) fuel from fossil to synthetic fuels. In this context, on-board carbon capture and storage (OCCS) in ICEs could provide the CO₂ needed by Power-to-gas (PtG) technologies to produce synthetic natural gas (SNG), which is then consumed again by the vehicle fleet, closing in this way the carbon loop. This study presents a techno-economic analysis of a heavy-duty vehicle fleet integrating an OCCS system with a PtG plant. The OCCS system operates by temperature swing adsorption where two sorbents, PPN-6-CH₂-DETA and zeolite 13X, are evaluated at carbon capture rates (CCR) of 70 % and 100 %. A fifth scenario examined the effect of varying the H₂:CO₂ ratio in the methanation plant at 100 % CCR using PPN-6-CH₂-DETA. Both systems were simulated using Aspen Plus and AVL Boost softwares. Moreover, a sensitivity analysis was conducted considering three key performance indicators: the CO₂ tax, natural gas (NG), and electricity prices. The results indicate that the carbon abatement cost reaches a break-even point at 150 €/tCO₂ for a fleet size of 400 vehicles. However, the capital expenditures do not achieve payback within 20 years due to the high operational expenditures and low incomes in the evaluated scenarios. The sensitivity analyses show that the CO₂ tax and the NG price must be higher than 400 €/tCO₂ and 160 €/MWh, respectively, to compensate for the current electricity price and allow the proposed systems to be techno-economic feasible.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103046"},"PeriodicalIF":7.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A co-feeding strategy of formate and H2 for methanogens – Enhancing growth parameters and methane production","authors":"Björn Sabel-Becker ,&nbsp;Nicolas Patrick Jost ,&nbsp;Anne-Kristin Kaster ,&nbsp;Dirk Holtmann","doi":"10.1016/j.jcou.2025.103049","DOIUrl":"10.1016/j.jcou.2025.103049","url":null,"abstract":"<div><div>Carbon dioxide emissions could be reduced by developing alternative production processes based on a renewable C1 building block. Formate could link the electrical and chemical sectors as its production can be realized through the electrochemical reduction of CO₂. Its function could be either a long-term energy storage medium or a starting material in a bioprocess. In this study, formate served as an energy and carbon source for methane production with a formatotrophic mixed culture. It was successfully shown that the theoretical maximum of 0.25 methane per formate can be overcome by co-feeding formate with H₂. The production yield doubled to 0.555 ± 0.021 in a CO₂-free buffer and 0.591 ± 0.032 in a bicarbonate buffer. With excess CO₂ in the bicarbonate buffered culture, it was shown that the H₂ transfer rate was the limiting factor for this process. Otherwise, the bicarbonate buffered culture outperformed other buffered cultures in terms of start-up time, formate consumption, and methane production rate. The additional CO₂ in the gas phase might have enhanced the growth of methanogens in an early stage of cultivation. 16S sequencing revealed the composition of the cultures. With nearly 25 %, the genus <em>Methanofollis</em> was one of the most dominant strains and the only detectable methanogen in the mixed culture, making it an interesting candidate for formatotrophic methane production. In summary, the co-feeding strategy might be an approach to utilizing formate as feedstock for the bioproduction of methane if hurdles like the H₂ transfer rates can be overcome.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103049"},"PeriodicalIF":7.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143547858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Black-box and white-box machine learning tools to estimate the frost formation condition during cryogenic CO2 capture from natural gas blends","authors":"Farag M.A. Altalbawy ,&nbsp;Fadhel F. Sead ,&nbsp;Dharmesh Sur ,&nbsp;Anupam Yadav ,&nbsp;José Gerardo León Chimbolema ,&nbsp;Suhas Ballal ,&nbsp;Abhayveer Singh ,&nbsp;Anita Devi ,&nbsp;Kamal Kant Joshi ,&nbsp;Nizomiddin Juraev ,&nbsp;Hossein Mahabadi Asl","doi":"10.1016/j.jcou.2025.103052","DOIUrl":"10.1016/j.jcou.2025.103052","url":null,"abstract":"<div><div>Cryogenic carbon capture (CCC), a promising technology for the sequestration of CO₂ from natural gas streams, relies on the CO₂ frost formation at cryogenic temperatures. Precise estimation of the CO₂ frost formation temperature (FFT) is vital for optimizing CCC processes and maximizing efficiency. This study deals with the development of machine learning models for predicting the FFT of CO₂ in natural gas blends. A comprehensive dataset, including 430 experimental samples, was assembled from the literature. The foregoing dataset included the FFT data for binary and ternary natural gas blends across a wide range of pressures and component fractions. Three distinct black-box algorithms, including Regression Tree (RT), Radial Basis Function Neural Network (RBF-NN) and Support Vector Machine (SVM) were employed to model FFT. The performance of each model was rigorously explored through diverse statistical and graphical methods. While all developed models demonstrated high accuracy, the RBF-NN model was the superior predictive tool, achieving a mean absolute percentage error (MAPE) of 0.82 % and a standard deviation (SD) of 1.19 % during the validation phase. Also, an explicit correlation for FFT was proposed using the white-box machine learning technique of Gene Expression Programming (GEP), which achieved the MAPE of 0.59 % for all data. The models were also capable of predicting the FFT of CO₂ in both binary and ternary blends, and favorably captured the complicated physical variations of FFT under diverse operating conditions. To gain deeper insights into the most fundamental factors in controlling the FFT of CO₂, a sensitivity analysis was conducted. The findings of the current study, in turn, contribute to the understanding of FFT of CO₂ and the optimal design of the CCC processes in natural gas industries.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103052"},"PeriodicalIF":7.2,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487046","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}