Journal of CO2 Utilization最新文献

英文中文

Preparation of municipal waste incineration fly ash artificial aggregate using CO₂ curing and its properties 利用 CO₂ 固化法制备城市垃圾焚烧飞灰人工骨料及其性能

IF 7.2 2区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of CO2 Utilization

Pub Date : 2025-02-15 DOI: 10.1016/j.jcou.2025.103042

Zhen Li , Zhiwen Wu , Qing Long , Wudi Feng , Shuhua Liu , Xianze Yuan

With the acceleration of urbanization and the continuous growth of population, the treatment of municipal solid waste incineration fly ash (MSWI-FA), a product of municipal solid waste incineration, has become an important issue. In this study, MSWI-FA, fly ash, and cement were used as raw materials to prepare artificial aggregates by CO₂ curing technology and to study their properties. The results showed that the best performance of aggregates was obtained under CO₂ curing conditions with a water-solid ratio of 0.26, a cement content of 30 %, and fly ash content of 15 %. The formulation of raw materials affects the strength of aggregates. The appropriate amount of cement and fly ash can improve the strength, while excessive cement and fly ash can hinder the absorption and fixation of carbon dioxide, affect the carbonation reaction and strengthening effect, and even lead to the deterioration of performance. The CO₂ curing increased the average compressive strength of the artificial aggregate at the age of 28 days by approximately 80 %, and reduced water absorption, and improved durability. The produced aggregates have good stabilization ability for heavy metals, and the leaching concentration is lower than the national standard, which can be used safely in the construction field. In this study, MSWI-FA waste was successfully converted into artificial aggregates for use in construction using CO₂ curing technology, achieving the dual goals of waste recycling and carbon sequestration.

{"title":"Preparation of municipal waste incineration fly ash artificial aggregate using CO₂ curing and its properties","authors":"Zhen Li , Zhiwen Wu , Qing Long , Wudi Feng , Shuhua Liu , Xianze Yuan","doi":"10.1016/j.jcou.2025.103042","DOIUrl":"10.1016/j.jcou.2025.103042","url":null,"abstract":"<div><div>With the acceleration of urbanization and the continuous growth of population, the treatment of municipal solid waste incineration fly ash (MSWI-FA), a product of municipal solid waste incineration, has become an important issue. In this study, MSWI-FA, fly ash, and cement were used as raw materials to prepare artificial aggregates by CO₂ curing technology and to study their properties. The results showed that the best performance of aggregates was obtained under CO₂ curing conditions with a water-solid ratio of 0.26, a cement content of 30 %, and fly ash content of 15 %. The formulation of raw materials affects the strength of aggregates. The appropriate amount of cement and fly ash can improve the strength, while excessive cement and fly ash can hinder the absorption and fixation of carbon dioxide, affect the carbonation reaction and strengthening effect, and even lead to the deterioration of performance. The CO₂ curing increased the average compressive strength of the artificial aggregate at the age of 28 days by approximately 80 %, and reduced water absorption, and improved durability. The produced aggregates have good stabilization ability for heavy metals, and the leaching concentration is lower than the national standard, which can be used safely in the construction field. In this study, MSWI-FA waste was successfully converted into artificial aggregates for use in construction using CO₂ curing technology, achieving the dual goals of waste recycling and carbon sequestration.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103042"},"PeriodicalIF":7.2,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422516","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}

引用次数: 0

Sirolimus solubility in supercritical carbon dioxide: Measurement and modeling

IF 7.2 2区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of CO2 Utilization

Pub Date : 2025-02-15 DOI: 10.1016/j.jcou.2025.103034

Zohra Laggoune , Yasmine Masmoudi , Seyed Ali Sajadian , Elisabeth Badens

The solubility of drugs in supercritical carbon dioxide is a key parameter in their processing. This study focuses on sirolimus, an immunosuppressive drug used in organ transplantation. Its solubility in supercritical carbon dioxide was measured using a static gravimetric method. Measurements were carried out at pressures ranging from 12.5 MPa to 25.0 MPa and temperatures from 313 K to 328 K. The findings revealed a molar fraction range of sirolimus between 1.20 × 10⁻⁶ and 2.73 × 10⁻⁶ and a direct solubility behavior in the investigated domain. The experimental data were correlated using several models. These included semi-empirical density-based models (Chrastil, Mendez-Santiago and Teja, Bartle et al., Kumar and Johnston, Sparks et al., and Sodeifian et al.), as well as equation of state-based models (Soave-Redlich-Kwong and Peng-Robinson). The results indicated that Sparks et al. and Soave-Redlich-Kwong showed the lowest average absolute relative deviation (AARD%) and the corrected correlation coefficient (R_adj) of 4.12 %, 0.978 and 05.18 %, 0.980 respectively.

{"title":"Sirolimus solubility in supercritical carbon dioxide: Measurement and modeling","authors":"Zohra Laggoune , Yasmine Masmoudi , Seyed Ali Sajadian , Elisabeth Badens","doi":"10.1016/j.jcou.2025.103034","DOIUrl":"10.1016/j.jcou.2025.103034","url":null,"abstract":"<div><div>The solubility of drugs in supercritical carbon dioxide is a key parameter in their processing. This study focuses on sirolimus, an immunosuppressive drug used in organ transplantation. Its solubility in supercritical carbon dioxide was measured using a static gravimetric method. Measurements were carried out at pressures ranging from 12.5 MPa to 25.0 MPa and temperatures from 313 K to 328 K. The findings revealed a molar fraction range of sirolimus between 1.20 × 10<sup>−6</sup> and 2.73 × 10<sup>−6</sup> and a direct solubility behavior in the investigated domain. The experimental data were correlated using several models. These included semi-empirical density-based models (Chrastil, Mendez-Santiago and Teja, Bartle <em>et al</em>., Kumar and Johnston, Sparks <em>et al</em>., and Sodeifian <em>et al</em>.), as well as equation of state-based models (Soave-Redlich-Kwong and Peng-Robinson). The results indicated that Sparks <em>et al</em>. and Soave-Redlich-Kwong showed the lowest average absolute relative deviation (AARD%) and the corrected correlation coefficient (R<sub>adj</sub>) of 4.12 %, 0.978 and 05.18 %, 0.980 respectively.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103034"},"PeriodicalIF":7.2,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422517","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}

引用次数: 0

Bioelectrocatalytic CO2 reduction to formate by Candida boidinii formate dehydrogenase overcoming NADH dependence with tailored amino-viologen redox polymers

IF 7.2 2区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of CO2 Utilization

Pub Date : 2025-02-13 DOI: 10.1016/j.jcou.2025.103041

Mihai-Cristian Fera , Kavita Jayakumar , Diego García Bueno , Jose M. Abad , Antonio L. De Lacey , Marcos Pita

CO₂ reduction to formate through enzymatic systems represents a sustainable pathway for carbon utilization but is often limited by the cost and irreversibility of cofactors like NADH. In this study, we introduce a novel biocathode integrating NAD-dependent formate dehydrogenase (cbFDH) and an amino-viologen redox polymer (NH₂Et-PVI) to act as a mediating artificial cofactor, enabling continuous formate production without re-supply of exogenous cofactors. This bioelectrode achieves a faradaic efficiency of 95.4 % and a 43-fold increase in formate yield over traditional NADH-dependent biocatalytic systems, which highlights the cbFDH/NH₂Et-PVI bioelectrode as a promising advancement for economically viable CO₂ conversion.

引用次数: 0

Biogas upgrading through CO2 methanation in a multiple-inlet fixed bed reactor: Simulated parametric analysis

IF 7.2 2区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of CO2 Utilization

Pub Date : 2025-02-12 DOI: 10.1016/j.jcou.2025.103038

P. Aragüés-Aldea, V.D. Mercader, P. Durán, E. Francés, J.Á. Peña, J. Herguido

A simulation of the catalytic CO₂ methanation reaction was carried out, evaluating the effect of reactants distributed feeding throughout the bed. The main operational parameters were studied in a multiple-inlet reactor to test their effect on conversions and, most importantly, on selectivities towards both CO and CH₄ as reaction products. The analyzed parameters were, firstly, the number of feeding points (N) and the dosage degree of reactants, followed by temperature (T), partial pressures of reactants (H₂:CO₂ ratios), and the composition of a sweetened biogas as feeding stream (CH₄:CO₂ ratios). It is confirmed that a distribution of biogas through several side inlets improves selectivities to the desired CH₄ product, over other feeding configurations. The effect of distributing reactants becomes intensified when the number of lateral feedings increases. This observation supports the experimental trends already proven in previous works. Regarding main operation parameters such as temperature and H₂:CO₂ molar ratio, the analysis confirmed that their influence on selectivities acts just as predicted at low conversions. However, when these conversions become higher the space velocity (WHSV) is the most important factor for selectivities. Finally, no significant changes in reaction performance were obtained when modifying the biogas CH₄:CO₂ ratio in the broad range of methane concentrations from 55 v% to 70 v%.

{"title":"Biogas upgrading through CO2 methanation in a multiple-inlet fixed bed reactor: Simulated parametric analysis","authors":"P. Aragüés-Aldea, V.D. Mercader, P. Durán, E. Francés, J.Á. Peña, J. Herguido","doi":"10.1016/j.jcou.2025.103038","DOIUrl":"10.1016/j.jcou.2025.103038","url":null,"abstract":"<div><div>A simulation of the catalytic CO<sub>2</sub> methanation reaction was carried out, evaluating the effect of reactants distributed feeding throughout the bed. The main operational parameters were studied in a multiple-inlet reactor to test their effect on conversions and, most importantly, on selectivities towards both CO and CH<sub>4</sub> as reaction products. The analyzed parameters were, firstly, the number of feeding points (<em>N</em>) and the dosage degree of reactants, followed by temperature (T), partial pressures of reactants (H<sub>2</sub>:CO<sub>2</sub> ratios), and the composition of a sweetened biogas as feeding stream (CH<sub>4</sub>:CO<sub>2</sub> ratios). It is confirmed that a distribution of biogas through several side inlets improves selectivities to the desired CH<sub>4</sub> product, over other feeding configurations. The effect of distributing reactants becomes intensified when the number of lateral feedings increases. This observation supports the experimental trends already proven in previous works. Regarding main operation parameters such as temperature and H<sub>2</sub>:CO<sub>2</sub> molar ratio, the analysis confirmed that their influence on selectivities acts just as predicted at low conversions. However, when these conversions become higher the space velocity (WHSV) is the most important factor for selectivities. Finally, no significant changes in reaction performance were obtained when modifying the biogas CH<sub>4</sub>:CO<sub>2</sub> ratio in the broad range of methane concentrations from 55 v% to 70 v%.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103038"},"PeriodicalIF":7.2,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143386876","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}

引用次数: 0

Steel-polypropylene hybrid fiber high performance cement-based composites: Mechanical properties, microscopic mechanisms, and carbon emission evaluation

IF 7.2 2区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of CO2 Utilization

Pub Date : 2025-02-11 DOI: 10.1016/j.jcou.2025.103039

Weiguo Zhang , Xiang Lv , Jun Tian , Hongbo Liu , Xiaowei Wu , Shengwen Tang , Nengzhong Lei , Yulin Wang , Wentong Huang

To overcome the problems of steel fiber reinforced high performance cementitious composites (SF/HPCC), such as mixing difficulties, self-weight, high cost and high carbon emissions. The polypropylene fiber (PPF) was selected to substitute steel fiber (SF) in equal volume to explore the rule of PPF replacement rate on workability, compressive strength and split tensile strength of SF-PPF/HPCC, and the mechanism of the effect of the substitution ratio of PPF for SF on the mechanical properties of SF-PPF/HPCC was revealed. Finally, the carbon emission and economic analysis of SF-PPF/HPCC were evaluated. The results showed that PPF substitution of SF improves the workability of SF-PPF/HPCC, Compared to SP0, the SP10, SP15, SP20, SP30, and SP40 showed an increase of 4.34 %, 6.52 %, 10.87 %, 13.04 %, and 13.04 % in slump, and an increase of 1.25 %, 2.5 %, 5 %, 6.25 %, and 7.5 % in slump flow, respectively. For the mechanical properties, when the replacement of SF by PPF was 20 % (SP20), the compressive strength decreased by 6.54 % and the splitting tensile strength increased by 16.82 % compared with SP0. From the quantitative analysis of microscopic morphology and microscopic parameters, the increase of the substitution rate of PPF weakened the cutting effect of SF, so that the particles tended to be elongated and the pore size increased. However, the reasonable blending of PPF and SF can make the size of particle and pore tend to be fine and improve the macroscopic properties of SF-PPF/HPCC. Replacing SF with PPF can reduce CO₂ emission, lower the social cost of CO₂ emission, and lower the production cost of SF-PPF/HPCC, which was an effective strategy to achieve low-carbon and low-cost production, and was of great significance to promote its application in the engineering field.

{"title":"Steel-polypropylene hybrid fiber high performance cement-based composites: Mechanical properties, microscopic mechanisms, and carbon emission evaluation","authors":"Weiguo Zhang , Xiang Lv , Jun Tian , Hongbo Liu , Xiaowei Wu , Shengwen Tang , Nengzhong Lei , Yulin Wang , Wentong Huang","doi":"10.1016/j.jcou.2025.103039","DOIUrl":"10.1016/j.jcou.2025.103039","url":null,"abstract":"<div><div>To overcome the problems of steel fiber reinforced high performance cementitious composites (SF/HPCC), such as mixing difficulties, self-weight, high cost and high carbon emissions. The polypropylene fiber (PPF) was selected to substitute steel fiber (SF) in equal volume to explore the rule of PPF replacement rate on workability, compressive strength and split tensile strength of SF-PPF/HPCC, and the mechanism of the effect of the substitution ratio of PPF for SF on the mechanical properties of SF-PPF/HPCC was revealed. Finally, the carbon emission and economic analysis of SF-PPF/HPCC were evaluated. The results showed that PPF substitution of SF improves the workability of SF-PPF/HPCC, Compared to SP0, the SP10, SP15, SP20, SP30, and SP40 showed an increase of 4.34 %, 6.52 %, 10.87 %, 13.04 %, and 13.04 % in slump, and an increase of 1.25 %, 2.5 %, 5 %, 6.25 %, and 7.5 % in slump flow, respectively. For the mechanical properties, when the replacement of SF by PPF was 20 % (SP20), the compressive strength decreased by 6.54 % and the splitting tensile strength increased by 16.82 % compared with SP0. From the quantitative analysis of microscopic morphology and microscopic parameters, the increase of the substitution rate of PPF weakened the cutting effect of SF, so that the particles tended to be elongated and the pore size increased. However, the reasonable blending of PPF and SF can make the size of particle and pore tend to be fine and improve the macroscopic properties of SF-PPF/HPCC. Replacing SF with PPF can reduce CO<sub>2</sub> emission, lower the social cost of CO<sub>2</sub> emission, and lower the production cost of SF-PPF/HPCC, which was an effective strategy to achieve low-carbon and low-cost production, and was of great significance to promote its application in the engineering field.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103039"},"PeriodicalIF":7.2,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143378125","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}

引用次数: 0

Improvement of the dissolution of the antineoplastic drug regorafenib through impregnation into pullulan polysaccharide using supercritical fluid technology: Optimization of the process

IF 7.2 2区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of CO2 Utilization

Pub Date : 2025-02-09 DOI: 10.1016/j.jcou.2025.103040

Ali Sheikhi , Sepideh Hamedi , Gholamhossein Sodeifian , Fariba Razmimanesh

Regorafenib is administered orally for the treatment of metastatic colorectal cancer. However, its limited water solubility hinders its clinical efficacy. This study explores the impregnation of regorafenib monohydrate (REG MH) into pullulan (PULL) using supercritical carbon dioxide (scCO₂), aiming to promote the oral bioavailability, water solubility and therapeutic efficacy of the drug. Pullulan was first produced by Aureobasidium pullulans. A Box-Behnken design (BBD) was employed to optimize impregnation factors including temperature (308, 318 and 328 K), pressure (200, 240 and 280 bar) and time (5, 7 and 9 h) on drug loading. The maximum drug loading (0.57 %) was achieved at a temperature of 280 K, pressure of 328 bar and time of 7 h. The highest drug loading of 0.7 % was predicted by BBD under optimal conditions of 328 K, 280 bar, and 9 h. The crystalline peaks for REG MH were lost after incorporation into the pullulan proving the amorphization of the embedded drug. According to differential scanning calorimetry (DSC) results, the melting point belonging to the crystalline drug faded after impregnation into the polymer, implying that the REG MH/PULL formulation converts to a complete amorphous structure. Field emission scanning electron microscopy (FE-SEM) images indicated the semi-spherical morphology of the REG MH/PULL system. The dissolution rate of the impregnated REG MH in an aqueous medium considerably enhanced to 80 % during 60 h, whereas it reached 18 % for the free drug. The drug release from the polymer matrix is predominantly controlled by the Fickian diffusion mechanism.

{"title":"Improvement of the dissolution of the antineoplastic drug regorafenib through impregnation into pullulan polysaccharide using supercritical fluid technology: Optimization of the process","authors":"Ali Sheikhi , Sepideh Hamedi , Gholamhossein Sodeifian , Fariba Razmimanesh","doi":"10.1016/j.jcou.2025.103040","DOIUrl":"10.1016/j.jcou.2025.103040","url":null,"abstract":"<div><div>Regorafenib is administered orally for the treatment of metastatic colorectal cancer. However, its limited water solubility hinders its clinical efficacy. This study explores the impregnation of regorafenib monohydrate (REG MH) into pullulan (PULL) using supercritical carbon dioxide (scCO<sub>2</sub>), aiming to promote the oral bioavailability, water solubility and therapeutic efficacy of the drug. Pullulan was first produced by <em>Aureobasidium pullulans</em>. A Box-Behnken design (BBD) was employed to optimize impregnation factors including temperature (308, 318 and 328 K), pressure (200, 240 and 280 bar) and time (5, 7 and 9 h) on drug loading. The maximum drug loading (0.57 %) was achieved at a temperature of 280 K, pressure of 328 bar and time of 7 h. The highest drug loading of 0.7 % was predicted by BBD under optimal conditions of 328 K, 280 bar, and 9 h. The crystalline peaks for REG MH were lost after incorporation into the pullulan proving the amorphization of the embedded drug. According to differential scanning calorimetry (DSC) results, the melting point belonging to the crystalline drug faded after impregnation into the polymer, implying that the REG MH/PULL formulation converts to a complete amorphous structure. Field emission scanning electron microscopy (FE-SEM) images indicated the semi-spherical morphology of the REG MH/PULL system. The dissolution rate of the impregnated REG MH in an aqueous medium considerably enhanced to 80 % during 60 h, whereas it reached 18 % for the free drug. The drug release from the polymer matrix is predominantly controlled by the Fickian diffusion mechanism.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103040"},"PeriodicalIF":7.2,"publicationDate":"2025-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143372062","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}

引用次数: 0

Enhancing CO₂ selectivity in MOFs through a dual-ligand strategy: Experimental and theoretical insights

IF 7.2 2区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of CO2 Utilization

Pub Date : 2025-02-08 DOI: 10.1016/j.jcou.2025.103035

Amir Kazemi , Akram Karbalaee Hosseini , Mahyar Ashourzadeh Pordsari , Mohsen Tamtaji , Saber Keshavarz , Faranak Manteghi , Azadeh Tadjarodi , Ahad Ghaemi , Sohrab Rohani , William A. Goddard

Carbon dioxide (CO₂) is a primary greenhouse gas, playing a significant role in global warming and climate change. In response, metal-organic frameworks (MOFs) have emerged as effective materials for CO₂ capture. This study focuses on the synthesis and characterization of mono and heterometallic Cd and Zn MOFs [Zn₂(DPTTZ)(OBA)₂] (IUST-2), [Cd(DPTTZ)(OBA)] (IUST-3), and [Cd₂Zn(DPTTZ)₀.₅(OBA)₃(H₂O)(HCOOH)] (IUST-4). A dual-ligand strategy was employed using 4,4′-oxybis(benzoic acid) (OBA) and 2,5-di(pyridine-4-yl)thiazolo[5,4-d]thiazole (DPTTZ), with OBA acting as a rigid linker and DPTTZ providing nitrogen and sulfur heteroatoms to enhance gas adsorption. The presence of thiazole rings improves CO₂ selectivity through π-electron interactions and coordination with metal centers, contributing to higher adsorption efficiency. A sonochemical method was used to synthesize the MOFs, ensuring fast, eco-friendly production with uniform crystal growth. Among the synthesized MOFs, IUST-4 exhibited the highest CO₂ adsorption capacity, capturing 168 cm³ /g at 25°C. This superior performance is attributed to the synergistic interaction of Cd and Zn, which strengthens the coordination between CO₂ molecules and open metal sites. In addition, to validate the data and improve the analysis, theoretical studies indicated moderate interactions between CO₂ and the metal centers. These analyses were confirmed based on the Langmuir isotherm and Elovich kinetic models (R² > 0.95). Furthermore, DFT calculations revealed that IUST-4 exhibits the highest adsorption energy (-0.11 eV), outperforming IUST-2 (-0.06 eV) and IUST-3 (-0.05 eV). Additionally, IUST-4 maintained 86.1 % efficiency after ten adsorption-desorption cycles, demonstrating its stability and potential for industrial CO₂ capture applications. Overall, these findings highlight the potential of IUST-4 as a highly effective material for advancing CO₂ capture technologies in industrial applications.

{"title":"Enhancing CO₂ selectivity in MOFs through a dual-ligand strategy: Experimental and theoretical insights","authors":"Amir Kazemi , Akram Karbalaee Hosseini , Mahyar Ashourzadeh Pordsari , Mohsen Tamtaji , Saber Keshavarz , Faranak Manteghi , Azadeh Tadjarodi , Ahad Ghaemi , Sohrab Rohani , William A. Goddard","doi":"10.1016/j.jcou.2025.103035","DOIUrl":"10.1016/j.jcou.2025.103035","url":null,"abstract":"<div><div>Carbon dioxide (CO₂) is a primary greenhouse gas, playing a significant role in global warming and climate change. In response, metal-organic frameworks (MOFs) have emerged as effective materials for CO₂ capture. This study focuses on the synthesis and characterization of mono and heterometallic Cd and Zn MOFs [Zn₂(DPTTZ)(OBA)₂] (IUST-2), [Cd(DPTTZ)(OBA)] (IUST-3), and [Cd₂Zn(DPTTZ)₀.₅(OBA)₃(H₂O)(HCOOH)] (IUST-4). A dual-ligand strategy was employed using 4,4′-oxybis(benzoic acid) (OBA) and 2,5-di(pyridine-4-yl)thiazolo[5,4-<em>d</em>]thiazole (DPTTZ), with OBA acting as a rigid linker and DPTTZ providing nitrogen and sulfur heteroatoms to enhance gas adsorption. The presence of thiazole rings improves CO₂ selectivity through π-electron interactions and coordination with metal centers, contributing to higher adsorption efficiency. A sonochemical method was used to synthesize the MOFs, ensuring fast, eco-friendly production with uniform crystal growth. Among the synthesized MOFs, IUST-4 exhibited the highest CO₂ adsorption capacity, capturing 168 cm³ /g at 25°C. This superior performance is attributed to the synergistic interaction of Cd and Zn, which strengthens the coordination between CO₂ molecules and open metal sites. In addition, to validate the data and improve the analysis, theoretical studies indicated moderate interactions between CO₂ and the metal centers. These analyses were confirmed based on the Langmuir isotherm and Elovich kinetic models (R² > 0.95). Furthermore, DFT calculations revealed that IUST-4 exhibits the highest adsorption energy (-0.11 eV), outperforming IUST-2 (-0.06 eV) and IUST-3 (-0.05 eV). Additionally, IUST-4 maintained 86.1 % efficiency after ten adsorption-desorption cycles, demonstrating its stability and potential for industrial CO₂ capture applications. Overall, these findings highlight the potential of IUST-4 as a highly effective material for advancing CO₂ capture technologies in industrial applications.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103035"},"PeriodicalIF":7.2,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143350206","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}

引用次数: 0

Analysis of CO2 storage efficiency and performance of low carbon cement binders containing carbide slag and phosphorus slag

IF 7.2 2区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of CO2 Utilization

Pub Date : 2025-02-07 DOI: 10.1016/j.jcou.2025.103037

Guang-Min Liu , Rui-Cong Gao , Fang Liu , Wen-Ping Yue , Yi Yang , Yong-Pang Liao , Jia-Xiang Liew

Phosphorus slag (PS) and carbide slag (CS) are waste residues generated in industrial production. Because PS and CS are not fully utilized, they have caused serious land occupation and resource waste. In this paper, PS and CS are used as auxiliary cementitious materials to study the modification mechanism of CS on PS and the synergistic mechanism of PS and CS in cement-based materials under different curing methods. First, CS can modify PS, weaken the retarding effect of phosphorus and fluorine elements remaining in PS on cement hydration, and promote the early hydration rate; secondly, CS can activate the volcanic ash activity of PS and reduce the adverse effects of the dilution effect. In addition, the generated hydration products can generate more SiO₂-Al₂O₃ gel with a low calcium-silicon ratio after carbonation and decalcification. Finally, the carbonated specimen shows better high-temperature mechanical properties and volume stability than the normally cured specimen, and the high-temperature strength and specimens volume initially rise and subsequently decline as temperature rises.

{"title":"Analysis of CO2 storage efficiency and performance of low carbon cement binders containing carbide slag and phosphorus slag","authors":"Guang-Min Liu , Rui-Cong Gao , Fang Liu , Wen-Ping Yue , Yi Yang , Yong-Pang Liao , Jia-Xiang Liew","doi":"10.1016/j.jcou.2025.103037","DOIUrl":"10.1016/j.jcou.2025.103037","url":null,"abstract":"<div><div>Phosphorus slag (PS) and carbide slag (CS) are waste residues generated in industrial production. Because PS and CS are not fully utilized, they have caused serious land occupation and resource waste. In this paper, PS and CS are used as auxiliary cementitious materials to study the modification mechanism of CS on PS and the synergistic mechanism of PS and CS in cement-based materials under different curing methods. First, CS can modify PS, weaken the retarding effect of phosphorus and fluorine elements remaining in PS on cement hydration, and promote the early hydration rate; secondly, CS can activate the volcanic ash activity of PS and reduce the adverse effects of the dilution effect. In addition, the generated hydration products can generate more SiO<sub>2</sub>-Al<sub>2</sub>O<sub>3</sub> gel with a low calcium-silicon ratio after carbonation and decalcification. Finally, the carbonated specimen shows better high-temperature mechanical properties and volume stability than the normally cured specimen, and the high-temperature strength and specimens volume initially rise and subsequently decline as temperature rises.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"93 ","pages":"Article 103037"},"PeriodicalIF":7.2,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143348424","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}

引用次数: 0

Quality of biogenic carbon dioxide stream from biogas plants including analytical method development

IF 7.2 2区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of CO2 Utilization

Pub Date : 2025-02-01 DOI: 10.1016/j.jcou.2025.103020

Karine Arrhenius , Sandra Hultmark , Iris de Krom , Luuk Meijer , Emma Henderson , Janneke van Wijk

The capture, use and storage of biogenic CO₂ from the biogas sector contributes to environmental benefits by reducing the overall greenhouse gas emissions. In several plants, CO₂ separated in the biogas upgrading process is captured and processed. Depending on the composition, some level of purification is needed before the biogenic CO₂ can be used, for example, in the food industry. In this article, we first present novel or adapted analytical methods which are both cost-effective and reliable to assess the purity of CO₂ streams. These methods concern not only species that are currently regulated in different standards but also allows for an extensive overview of the overall gas composition. The methods are then applied to samples of CO₂ stream collected from different biogas plants located in Sweden. Results from this campaign are presented together with some conclusions regarding the need to further purify the stream so the CO₂ even fulfill the most stringent requirements such as those set by the food industry. The need for purification concerns only a few species: water, methane, oxygen, nitrogen (for all samples), and hydrogen sulfide (in two cases). VOCs found specifically when the plants digest food wastes may also require a purification step, however, only some of these compounds are currently regulated.

{"title":"Quality of biogenic carbon dioxide stream from biogas plants including analytical method development","authors":"Karine Arrhenius , Sandra Hultmark , Iris de Krom , Luuk Meijer , Emma Henderson , Janneke van Wijk","doi":"10.1016/j.jcou.2025.103020","DOIUrl":"10.1016/j.jcou.2025.103020","url":null,"abstract":"<div><div>The capture, use and storage of biogenic CO<sub>2</sub> from the biogas sector contributes to environmental benefits by reducing the overall greenhouse gas emissions. In several plants, CO<sub>2</sub> separated in the biogas upgrading process is captured and processed. Depending on the composition, some level of purification is needed before the biogenic CO<sub>2</sub> can be used, for example, in the food industry. In this article, we first present novel or adapted analytical methods which are both cost-effective and reliable to assess the purity of CO<sub>2</sub> streams. These methods concern not only species that are currently regulated in different standards but also allows for an extensive overview of the overall gas composition. The methods are then applied to samples of CO<sub>2</sub> stream collected from different biogas plants located in Sweden. Results from this campaign are presented together with some conclusions regarding the need to further purify the stream so the CO<sub>2</sub> even fulfill the most stringent requirements such as those set by the food industry. The need for purification concerns only a few species: water, methane, oxygen, nitrogen (for all samples), and hydrogen sulfide (in two cases). VOCs found specifically when the plants digest food wastes may also require a purification step, however, only some of these compounds are currently regulated.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"92 ","pages":"Article 103020"},"PeriodicalIF":7.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182715","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}

引用次数: 0

Oxalamide-derived ionic polymer/carbon nanotube composites: Highly active heterogeneous catalyst for promoting cycloaddition of carbon dioxide to epoxides 草酰胺衍生离子聚合物/碳纳米管复合材料：促进二氧化碳与环氧化物环化反应的高活性异相催化剂

IF 7.2 2区工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY

Journal of CO2 Utilization

Pub Date : 2025-02-01 DOI: 10.1016/j.jcou.2025.103026

Wenye Zha , Ying Chen , Hu Wang , Weifeng Chen , Yi-Zhu Lei , Ya-Li Wan , Shenglai Zhong

Ionic polymers functionalized with hydrogen bond donors (HBDs) exhibit immense potential in the green chemical fixation of carbon dioxide (CO₂); however, achieving high catalytic activity remains a significant challenge. In this study, we synthesized oxalamide-based ionic polymers and their composites with carbon nanotubes using a straightforward ball-milling method. The incorporation of oxalamide notably enhanced the catalytic activity of the ionic polymers by activating the C-O bond of the epoxide via HBD interaction. Furthermore, compositing with carbon nanotubes enhanced the catalytic performance of the composite materials via improving the accessibility of active sites. As a result, the optimized composite catalyst, P(PyOA-BBr₃)@CNT-3, demonstrated exceptional catalytic efficiency in the cycloaddition reaction between CO₂ and epichlorohydrin, achieving an outstanding initial turnover frequency (TOF) of 1360 h⁻¹ and a 68 % yield of epichlorohydrin carbonate at 140 °C. This makes our solid organocatalyst one of the most efficient metal-free solid catalytic systems reported to date. Moreover, P(PyOA-BBr₃)@CNT-3 exhibited good substrate compatibility and could be easily recycled and used for at least six cycles. This study not only introduces an efficient HBD for designing bifunctional catalysts, but also presents a feasible and environmentally friendly approach for constructing highly active ionic polymer-based composite catalysts for CO₂ fixation.

{"title":"Oxalamide-derived ionic polymer/carbon nanotube composites: Highly active heterogeneous catalyst for promoting cycloaddition of carbon dioxide to epoxides","authors":"Wenye Zha , Ying Chen , Hu Wang , Weifeng Chen , Yi-Zhu Lei , Ya-Li Wan , Shenglai Zhong","doi":"10.1016/j.jcou.2025.103026","DOIUrl":"10.1016/j.jcou.2025.103026","url":null,"abstract":"<div><div>Ionic polymers functionalized with hydrogen bond donors (HBDs) exhibit immense potential in the green chemical fixation of carbon dioxide (CO<sub>2</sub>); however, achieving high catalytic activity remains a significant challenge. In this study, we synthesized oxalamide-based ionic polymers and their composites with carbon nanotubes using a straightforward ball-milling method. The incorporation of oxalamide notably enhanced the catalytic activity of the ionic polymers by activating the C-O bond of the epoxide via HBD interaction. Furthermore, compositing with carbon nanotubes enhanced the catalytic performance of the composite materials via improving the accessibility of active sites. As a result, the optimized composite catalyst, P(PyOA-BBr<sub>3</sub>)@CNT-3, demonstrated exceptional catalytic efficiency in the cycloaddition reaction between CO<sub>2</sub> and epichlorohydrin, achieving an outstanding initial turnover frequency (TOF) of 1360 h<sup>−1</sup> and a 68 % yield of epichlorohydrin carbonate at 140 °C. This makes our solid organocatalyst one of the most efficient metal-free solid catalytic systems reported to date. Moreover, P(PyOA-BBr<sub>3</sub>)@CNT-3 exhibited good substrate compatibility and could be easily recycled and used for at least six cycles. This study not only introduces an efficient HBD for designing bifunctional catalysts, but also presents a feasible and environmentally friendly approach for constructing highly active ionic polymer-based composite catalysts for CO<sub>2</sub> fixation.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"92 ","pages":"Article 103026"},"PeriodicalIF":7.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143182655","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}

引用次数: 0

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