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Multiscale investigation of CO₂ solubility behavior in oil-water mixtures: Experiments, molecular dynamics simulations, and predictive model optimization 油水混合物中CO₂溶解度行为的多尺度研究:实验,分子动力学模拟和预测模型优化
IF 8.4 2区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-01 Epub Date: 2025-12-06 DOI: 10.1016/j.jcou.2025.103289
Xuewen Cao , Jiao Zhou , Chaoqi Qiu , Hao Li , Lvruoxi Zhao , Jiang Bian
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 (γ 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.
本研究通过实验和分子动力学模拟相结合的多尺度方法,系统地研究了二氧化碳在油水混合物中的溶解行为和调控机制。实验结果表明,CO 2溶解度呈现出明显的压力增大和温度降低的趋势,在油水比为2:1(5.2 MPa)时达到峰值1.422 mol·L⁻¹ ,比1:2的油水比提高了37 %。CO₂在原油中的溶解度比在水相中高2-3倍。MD模拟揭示公司的浓缩效果₂在油水界面(密度1.9倍体相)和传质机制主要由界面张力降低(γ减少从57.9到46.2 mN·m⁻¹)。基于实验数据,对Taylor模型(油相MRE = 1.75 %)和Duan模型(水相MRE = 2.17 %)进行了优化。建立了油水混合物复合预测模型,总体MRE为3.54 %,显著优于传统模型(误差降低85 %)。该研究为CO 2提高采收率和固碳提供了高精度的理论框架,阐明了多相界面行为在溶解动力学中的关键作用。
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引用次数: 0
Accelerating sustainable development in hard-to-abate sectors: An economic case for enzymatic carbon capture 加速难以减排部门的可持续发展:酶法碳捕获的经济案例
IF 8.4 2区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-01 Epub Date: 2025-12-11 DOI: 10.1016/j.jcou.2025.103284
Meng Ding , Yuqi Ji , Du Yanchen
The continuous rise in atmospheric carbon dioxide (CO₂) levels, primarily driven by extensive petroleum energy consumption, is a major contributor to global climate change. A promising approach to mitigate this issue is Carbon Capture, Utilization, and Storage (CCUS), where CO₂ capture plays a pivotal role. Among emerging biological solutions, carbonic anhydrase—a natural enzyme that catalyzes the conversion of CO₂ into bicarbonate—has gained considerable attention for its potential in efficient carbon capture. Despite its promise, large-scale industrial application faces challenges due to the enzyme’s instability, volatility, and high production costs. To address these limitations, three key strategies have been developed: enzyme engineering to improve performance, immobilization techniques to enhance stability and reusability, and the development of synthetic analogs known as carbonic anhydrase mimics. These approaches not only improve the enzyme's resilience but also expand its applicability in harsh industrial conditions. Additionally, studies are focusing on optimizing the interaction between support materials and the enzyme to boost catalytic efficiency. The development of enzyme mimics, particularly through improved metal-ligand coordination, offers a cost-effective and stable alternative. Collectively, these innovations represent a significant step toward sustainable carbon management, providing scalable and environmentally friendly solutions for reducing greenhouse gas emissions.
大气中二氧化碳(CO 2)水平的持续上升,主要是由广泛的石油能源消费驱动的,是全球气候变化的主要原因。缓解这一问题的一个有希望的方法是碳捕集、利用和封存(CCUS),其中二氧化碳捕集起着关键作用。在新兴的生物解决方案中,碳酸酐酶-一种催化二氧化碳转化为碳酸氢盐的天然酶-因其在有效碳捕获方面的潜力而获得了相当大的关注。尽管前景光明,但由于酶的不稳定性、挥发性和高生产成本,大规模工业应用面临挑战。为了解决这些限制,已经开发了三个关键策略:提高性能的酶工程,提高稳定性和可重用性的固定技术,以及合成类似物(称为碳酸酐酶模拟物)的开发。这些方法不仅提高了酶的弹性,而且扩大了它在恶劣工业条件下的适用性。此外,研究的重点是优化支持材料和酶之间的相互作用,以提高催化效率。酶模拟物的发展,特别是通过改进金属配体配位,提供了一种成本效益高且稳定的替代方案。总的来说,这些创新是朝着可持续碳管理迈出的重要一步,为减少温室气体排放提供了可扩展和环保的解决方案。
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引用次数: 0
Thermodynamic analysis of CO2 methanation for power-to-gas applications: Impact of in-situ water removal on performances and heat release 动力制气应用中CO2甲烷化的热力学分析:原位除水对性能和热释放的影响
IF 8.4 2区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-01 Epub Date: 2025-09-19 DOI: 10.1016/j.jcou.2025.103226
S.G. Acierno, C. Finelli, A. Lancia, A. Erto
This study presents a comprehensive thermodynamic analysis of CO₂ methanation, aimed at identifying optimal operating conditions for a reaction governed by a complex network. Simulations were performed in Aspen Plus® using Gibbs free energy minimization. Key variables were systematically investigated, including temperature (200–500 °C), pressure (1, 5, 10 and 30 atm), and H2/CO2 molar ratio (2:1, 4:1, 6:1). A special attention is given to selective water removal, analyzed across a full range (0–100 %) to simulate sorption-enhanced and membrane reactor systems. For these scenarios, the H2/CO2 ratio was fixed at 4:1 to reflect typical conditions. Given the exothermic nature of CO2 hydrogenation, a thermal analysis was also performed to estimate heat release and assess the feasibility of thermoneutral operation. This was evaluated over an extended temperature range (200–700 °C) and the same pressures and feed ratios, providing insights into energy efficiency and operational stability.
Results show that water removal strongly shifts the thermodynamic equilibrium, significantly increasing CO2 conversion and CH4 selectivity up to a critical point, beyond which coke formation becomes favorable. The location of this optimum is highly sensitive to temperature and pressure, highlighting the need for strict operational control. Corresponding variations in the reaction heat profile further emphasize these dependencies. Overall, this work offers a detailed thermodynamic perspective on a kinetically complex system, identifies favorable operating windows and highlights process limitations. These findings complement existing literature and provide valuable guidance for the design and optimization of CO2 methanation technologies.
本研究对二氧化碳甲烷化进行了全面的热力学分析,旨在确定由复杂网络控制的反应的最佳操作条件。在Aspen Plus®中使用吉布斯自由能最小化进行模拟。系统地研究了关键变量,包括温度(200-500°C),压力(1,5,10和30 atm)和H2/CO2摩尔比(2:1,4:1,6:1)。特别关注选择性除水,在全范围内(0-100 %)进行分析,以模拟吸附增强和膜反应器系统。对于这些场景,H2/CO2的比例固定为4:1,以反映典型情况。考虑到CO2加氢的放热性质,还进行了热分析,以估计热量释放并评估热中性操作的可行性。在更大的温度范围(200-700°C)、相同的压力和进料比下进行了评估,从而深入了解了能源效率和运行稳定性。结果表明,脱水强烈地改变了热力学平衡,显著提高了CO2转化率和CH4选择性,达到一个临界点,超过这个临界点就有利于焦炭的形成。该最佳位置对温度和压力高度敏感,因此需要严格的操作控制。反应热分布的相应变化进一步强调了这些相关性。总的来说,这项工作为动力学复杂系统提供了详细的热力学视角,确定了有利的操作窗口,并突出了过程限制。这些发现补充了现有文献,为CO2甲烷化技术的设计和优化提供了有价值的指导。
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引用次数: 0
Net-zero sustainable aviation fuel (SAF) production via CO2 hydrogenation in low-temperature Fischer-Tropsch synthesis: Process design and alternatives 在低温费托合成中通过二氧化碳加氢生产净零可持续航空燃料(SAF):工艺设计和替代品
IF 8.4 2区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-01 Epub Date: 2025-09-18 DOI: 10.1016/j.jcou.2025.103225
Luis Vaquerizo, Diego Rego-Fernández
Sustainable Aviation Fuel (SAF) is fundamental for decarbonizing the aviation sector, which remains one of the hardest industries to electrify. Among the available production routes, SAF derived from indirect CO₂ hydrogenation stands out as a promising alternative, delivering drop-in fuels compatible with existing infrastructure. This work presents and compares three thermally self-sufficient process alternatives for SAF production from captured CO₂, green hydrogen, and renewable electricity. The base case follows a conventional configuration consisting of Reverse Water Gas Shift (RWGS), Fischer-Tropsch (FT), hydrocracker, and Auto-Thermal Reformer (ATR) reactors. The first alternative replaces the ATR with two furnaces and substitutes the PSA-based CO₂ separation with an amine absorption unit. It also includes an isomerization bed to reduce SAF’s freezing point, a Dividing Wall Column (DWC) for efficient separation, and a steam turbine to recover part of the plant’s power demand. The second alternative retains the ATR while integrating CO₂ capture, the isomerization bed, and the DWC. The analysis shows that maintaining the ATR reactor reduces hydrogen consumption (0.52 kg H₂ per kg of products in the second alternative), being economically more favorable (3.65 €/L of SAF) than minimizing power consumption (716 kWh per ton of products in the first alternative), given the high cost of electrolytic hydrogen. In addition, the DWC proves to be the most efficient separation option, requiring the lowest reboiler duty and the fewest trays. All process configurations produce water as the only byproduct (approximately 3.3 kg H₂O/kg products), and achieve net-negative greenhouse gas emissions of up to −2 kg CO₂eq per kg of product.
可持续航空燃料(SAF)是航空业脱碳的基础,航空业仍然是最难实现电气化的行业之一。在现有的生产路线中,间接CO₂加氢产生的SAF作为一种有前途的替代方案脱颖而出,提供与现有基础设施兼容的插入式燃料。这项工作提出并比较了从捕获的二氧化碳、绿色氢和可再生电力中生产SAF的三种热自给自足的过程替代方案。基本情况遵循传统配置,包括反水气转换(RWGS)、费托(FT)、加氢裂化装置和自热转化(ATR)反应器。第一种方案是用两个炉代替ATR,用胺吸收装置代替基于psa的CO₂分离。它还包括一个异构化床,以降低SAF的凝固点,一个分隔墙柱(DWC)的有效分离,和一个蒸汽轮机,以回收部分工厂的电力需求。第二种选择保留ATR,同时整合CO₂捕获,异构化床和DWC。分析表明,考虑到电解氢的高成本,维持ATR反应器可以减少氢消耗(第二种替代方案中每公斤产品消耗0.52 kg H₂),在经济上比最小化功耗(第一种替代方案中每吨产品消耗716 kWh)更有利(SAF为3.65欧元/L)。此外,DWC被证明是最有效的分离选择,需要最低的再沸器负荷和最少的托盘。所有工艺配置都会产生水作为唯一的副产品(约3.3 kg H₂O/kg产品),并实现每公斤产品高达- 2 kg CO₂eq的净负温室气体排放。
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引用次数: 0
Carbonation of recycled concrete aggregate in a fixed-bed reactor: Effects of temperature, initial water saturation degree and particle size 再生混凝土骨料在固定床反应器中的碳化:温度、初始含水饱和度和粒度的影响
IF 8.4 2区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-01 Epub Date: 2025-11-29 DOI: 10.1016/j.jcou.2025.103286
CORVEC Gaël , ARTONI Riccardo , TURCRY Philippe , AIT-MOKHTAR Abdelkarim , RICHARD Patrick , CAZACLIU Bogdan
Accelerated carbonation of recycled concrete aggregates (RCA) in industrial CO2-rich environments is a promising technique to enhance CO2 sequestration while improving RCA properties. This study investigates the influence of temperature (50–110 °C), initial water saturation degree (0.34–0.93), and RCA particle size (0–4 mm) on carbonation efficiency in a fixed-bed reactor under controlled conditions, simulating cement plant flue gases. Results highlight that water saturation degree is a key parameter, as it influences both CO2 transport in the pore system and the dissolution of reactive phases. Temperature significantly impacts water saturation degree evolution, which in turn affects reaction kinetics. For each initial water saturation degree, an optimal temperature maximizes carbonation, reaching degrees above 40 % after only 2 h carbonation. Particle size also influences carbonation efficiency: finer RCA exhibit higher carbonation rates. A novel Macro-TGA methodology was employed to quantify carbonate formation in 500 g samples, offering a more representative assessment compared to classical thermogravimetric analyses. Finally, water absorption tests before and after carbonation showed a slight reduction, with a maximum decrease of 2.7 % at 80 °C and 0.93 initial water saturation degree. However, no direct correlation between water absorption and carbonation degree was observed, suggesting complex porosity evolution that requires further investigation.
再生混凝土骨料(RCA)加速碳化技术是一种很有前途的技术,可以在提高RCA性能的同时增强CO2固存能力。本研究在固定床反应器中模拟水泥厂烟气,在可控条件下,研究温度(50-110℃)、初始含水饱和度(0.34-0.93)和RCA粒径(0-4 mm)对碳化效率的影响。结果表明,水饱和度是一个关键参数,因为它既影响CO2在孔隙系统中的运输,也影响反应相的溶解。温度显著影响含水饱和度演变,进而影响反应动力学。对于每一个初始含水饱和度,最适温度都能使碳化作用最大化,仅在2 h碳化作用后,碳化作用就能达到40 %以上。颗粒大小也影响碳化效率:越细的RCA表现出较高的碳化率。一种新的宏观热重分析方法被用于定量500个 g样品中的碳酸盐地层,与经典的热重分析相比,提供了更具代表性的评估。最后,碳化前后的吸水率略有降低,80℃时最大降低2.7 %,初始水饱和度为0.93。然而,吸水率与碳酸化程度之间没有直接的相关性,表明复杂的孔隙演化有待进一步研究。
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引用次数: 0
Gas diffusion electrodes enable enhanced energy efficiency of electrochemical CO2 reduction in natural brine-inspired electrolytes 气体扩散电极能够提高天然盐水激发电解质中电化学CO2还原的能量效率
IF 8.4 2区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-01 Epub Date: 2025-11-12 DOI: 10.1016/j.jcou.2025.103268
Aykut Kas , Paniz Izadi , Ida Dinges , Markus Stöckl , Falk Harnisch
A circular economy demands efficient conversion of carbon dioxide (CO2) into valuable chemicals including C1-compounds like formate as building blocks for chemical production. The electrochemical CO2 reduction reaction (eCO2RR) in aqueous solutions is a promising approach, being limited by low CO2 solubility that restricts reaction rates and energy efficiency. In this study, we systematically investigated eCO2RR to formate using gas diffusion electrodes (GDEs) in electrolyte solutions with moderate (3 % w/v), high (10 % w/v), and hypersaline (17 % w/v) NaCl concentrations, representing natural saline water bodies. Notably, the presence of NaCl did not affect eCO2RR performance showing stable formate production rates of 1.30 ± 0.13 mmol L−1 h−1 cm−2 at a current density of 50 mA cm−2 across all salinities. Coulombic efficiencies (CE) for formate were similar across salinities starting at 80–90 % at 30 min and decreasing to ∼70 % after 120 min. Despite an expected ∼50 % decrease in CO₂ solubility with increasing salinity, GDEs ensured efficient CO₂ supply, preventing major performance losses. High salt electrolytes improved performance mainly by increasing electrolytic conductivity; however, benefits may also originate from an alternative anodic reaction, namely the chlorine evolution reaction (CER) instead of the oxygen evolution reaction (OER). At 17 % w/v NaCl, cell voltage decreased by 50.0 % and energy efficiency improved by up to 194.6 % when compared to sodium phosphate buffer, assuming CER was dominant. These findings indicate that the selection of anodic reaction is decisively influencing the energy efficiency of the eCO₂RR in saline electrolytes. Thus, we suggest that saline or brackish water can be sourced as electrolyte solutions for eCO2RR, offering a path towards large-scale carbon capture and utilization.
循环经济需要将二氧化碳(CO2)有效地转化为有价值的化学物质,包括甲酸盐等c1化合物,作为化学生产的基石。水溶液中的电化学CO2还原反应(eCO2RR)是一种很有前途的方法,但由于CO2溶解度低,限制了反应速率和能量效率。在这项研究中,我们系统地研究了eCO2RR在中(3 % w/v)、高(10 % w/v)和高盐(17 % w/v) NaCl浓度的电解质溶液中形成的过程。值得注意的是,NaCl的存在不影响eCO2RR的性能,在所有盐度下,电流密度为50 mA cm−2时,eCO2RR的甲酸产率稳定在1.30 ± 0.13 mmol L−1 h−1 cm−2。不同盐度下,甲酸盐的库仑效率(CE)相似,30 min时为80-90 %,120 min后降至70 %。尽管随着盐度的增加,CO 2溶解度预计会下降~ 50% %,但GDEs确保了有效的CO 2供应,避免了重大的性能损失。高盐电解质主要通过提高电解导电性来改善性能;然而,好处也可能来自另一种阳极反应,即氯析出反应(CER)而不是氧析出反应(OER)。假设CER占主导地位,在17 % w/v NaCl条件下,与磷酸钠缓冲液相比,电池电压降低50.0 %,能量效率提高194.6 %。这些结果表明,阳极反应的选择对含盐电解质中eCO₂RR的能量效率有决定性的影响。因此,我们建议可以将盐水或微咸水作为eCO2RR的电解质溶液,为大规模碳捕获和利用提供途径。
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引用次数: 0
Bioadhesive design of CO2-based polycarbonate materials with thermosensitivity and biodegradability 具有热敏性和可生物降解性的co2基聚碳酸酯材料的生物粘合剂设计
IF 8.4 2区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-01 Epub Date: 2025-09-30 DOI: 10.1016/j.jcou.2025.103236
Dake Zhang , Wenzhen Wang , Zhen Wang , Dengmeng Song , Shuang Liu , Yuyang Chen , Xiaoni Ma , Li Xia
Addressing the challenges of biotoxicity, poor long-term stability, and inadequate interfacial adhesion that hinder the clinical translation of tissue adhesives, we utilized the biocompatibility and biodegradability of CO₂-derived polycarbonates (PPC) and innovatively incorporated diacetyl-L-tartaric anhydride (DATA) into the copolymerization to develop PPC and DATA alternating/random copolymer (PPCD) bioadhesives. Compared to unmodified PPC, PPCD exhibits significantly enhanced adhesive properties: peel strength increased to 4.7 ± 0.43 N/cm (a 273 % improvement), sealing strength reached 67 ± 2.3 kPa (a 235 % enhancement), and skin adhesion strength rose to 22.1 ± 2.3 kPa (a 203 % increase). In comparative tests, PPCD outperformed commercial Fibrin glue in overall mechanical performance. Furthermore, PPCD demonstrates thermoresponsive viscosity modulation, undergoing debonding at 10°C with a thermal response efficiency exceeding 95 % compared to its viscosity at 37°C. Crucially, PPCD retains the degradability and bioaffinity of the original PPC, as confirmed by cytotoxicity assays showing > 98 % cell viability and histopathological analyses in mice verifying its biosafety. This bioadhesive resolves the long-standing trade-off between mechanical robustness and biocompatibility, while also establishing a new CO₂ valorization strategy for eco-friendly biomedical materials. The functionalization of PPC not only enhances adhesive performance but also pioneers a sustainable pathway for carbon utilization, demonstrating the transformative potential of next-generation tissue repair technologies.
针对生物毒性、长期稳定性差、界面粘附不足等阻碍组织粘接剂临床转化的挑战,我们利用CO₂衍生聚碳酸酯(PPC)的生物相容性和生物可降解性,创新地将二乙酰- l-酒石酸酐(DATA)加入共聚物中,开发了PPC和DATA交替/随机共聚物(PPCD)生物粘接剂。修改的PPC相比,PPCD展品显著增强胶粘剂性质:剥离强度增加到4.7 ±0.43  N /厘米(273 %改进),密封强度达到67 ± 2.3 kPa(235 %增强),和皮肤粘附强度升至22.1 ±2.3 kPa (增加203 %)。在对比试验中,PPCD在整体机械性能上优于市售纤维蛋白胶。此外,PPCD表现出热响应性粘度调制,在10°C时发生脱粘,与37°C时的粘度相比,热响应效率超过95% %。至关重要的是,PPCD保留了原始PPC的可降解性和生物亲和性,细胞毒性试验证实了>; 98 %的细胞存活率,小鼠组织病理学分析证实了其生物安全性。这种生物粘合剂解决了长期存在的机械坚固性和生物相容性之间的权衡,同时也为生态友好型生物医学材料建立了新的二氧化碳定价策略。PPC的功能化不仅提高了粘合性能,而且开创了碳利用的可持续途径,展示了下一代组织修复技术的变革潜力。
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引用次数: 0
Efficient valorization of starch-rich food waste for methane recovery: Targeted bioaugmentation of propionate-degrading methanogenic consortia and synergistically regulated metabolic networks 利用富含淀粉的食物垃圾进行甲烷回收的有效增值:丙酸降解产甲烷菌群的靶向生物强化和协同调节代谢网络
IF 8.4 2区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-01 Epub Date: 2025-10-22 DOI: 10.1016/j.jcou.2025.103250
Lei Feng , Chenxi Liu , Kun Zhang , Yinghuan Kuang , Jian Kang
With the acceleration of urbanization and improvement in residents' living standards, how to achieve efficient valorization of food waste has become an important research topic. This study addresses the low methane production efficiency in anaerobic digestion of starch-rich food waste. By employing targeted bioaugmentation with propionate-degrading methanogenic consortia, we constructed a multi-stage metabolic network regulated by “hydrogenotrophic methanogens as primary drivers, acetoclastic methanogens as secondary assistants, and hydrolytic bacteria for synergistic enhancement”. Experimental results demonstrate that the total biogas production reached its peak of 322.29 mL/g VS at a 10 % bioaugmentation dosage, representing a 19 % increase compared to the control group (SK), while methane production reached 107.63 mL/g VS, 1.28 times that of SK. Mechanistic analysis reveals that: (1) The bioaugmented consortium rapidly enriches hydrogenotrophic methanogens (Methanobacterium) and acetoclastic methanogens (Methanosaeta) through “competitive exclusion effects”, establishing dual-pathway synergistic metabolism of CO₂/H₂-to-methane and acetate-to-methane; (2) Syntrophomonadia and Methanobacterium form a hydrogen-acetate cross-feeding relationship: the former oxidizes acetic acid to produce H₂/CO₂, while the latter selectively utilizes low-concentration H₂ to enhance overall metabolic efficiency. This study provides an effective microbial community regulation strategy and engineering references for food waste resource recovery.
随着城市化进程的加快和居民生活水平的提高,如何实现食物垃圾的高效资源化已成为一个重要的研究课题。本研究旨在解决富含淀粉的食物垃圾厌氧消化产生甲烷效率低的问题。通过丙酸降解产甲烷菌群的靶向生物强化,构建了一个以氢营养型产甲烷菌为主要驱动菌,醋酸破酯产甲烷菌为次要辅助菌,水解菌为协同强化菌的多阶段代谢网络。实验结果表明,当生物增强剂用量为10 %时,总沼气产量达到峰值322.29 mL/g VS,比对照组(SK)提高了19 %,甲烷产量达到107.63 mL/g VS,是对照组(SK)的1.28倍。(1)生物增强型联合体通过“竞争排斥效应”快速富集氢营养产甲烷菌(Methanobacterium)和醋酸破酯产甲烷菌(Methanosaeta),建立CO₂/H₂制甲烷和醋酸酯制甲烷的双途径协同代谢;(2)合养单胞菌与甲烷菌形成醋酸氢交叉取食关系,前者氧化乙酸生成H₂/CO₂,后者选择性利用低浓度H₂提高整体代谢效率。本研究为食物垃圾资源化提供了有效的微生物群落调控策略和工程参考。
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引用次数: 0
Hydrogen bond-stabilized mixtures for efficient carbon dioxide capture 氢键稳定混合物,有效捕获二氧化碳
IF 8.4 2区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-01 Epub Date: 2025-10-17 DOI: 10.1016/j.jcou.2025.103249
Joaquín Arata Badano , Giuseppe Ferraro , Daniele Motta , Claudia Barolo , Sergio Bocchini , Jorge Gustavo Uranga , Matteo Bonomo
In this study, we investigate the use of hydrogen bond-stabilized amine-based mixtures (a class of systems hereafter referred to as Hydrogen Bond-Stabilized Mixtures, HBSMs; e.g., n-butylamine with glycerol or guanidinium chloride) as an alternative approach to improve carbon dioxide capture efficiency while avoiding massive solvent evaporation. CO2 capture experiments reveal that these mixtures exhibit improved sorption capacity compared to pure amines, while the presence of hydrogen bond acceptors plays a crucial role in stabilizing the systems, due to the establishment of an extended hydrogen-bond network. ATR-IR analyses confirm that CO2 capture occurs through a combination of physical and chemical absorption; on the other hand, TGA data reveal a substantial reduction in solvent evaporation rates, particularly in the n-butylamine/glycerol mixture, where evaporation decreased by more than an order of magnitude compared to pure amine. The high CO2 absorption capacity and reduced amine volatility of these mixtures open a promising avenue for more sustainable and energy-efficient carbon capture technologies, paving the way for relevant industrial applications.
在本研究中,我们研究了使用氢键稳定胺基混合物(一类系统以下称为氢键稳定混合物,HBSMs;例如,正丁胺与甘油或氯化胍)作为提高二氧化碳捕获效率同时避免大量溶剂蒸发的替代方法。二氧化碳捕获实验表明,与纯胺相比,这些混合物具有更好的吸附能力,而氢键受体的存在对稳定系统起着至关重要的作用,因为建立了一个扩展的氢键网络。ATR-IR分析证实,二氧化碳的捕获是通过物理和化学吸收的结合发生的;另一方面,TGA数据显示溶剂蒸发速率大幅降低,特别是在正丁胺/甘油混合物中,与纯胺相比,蒸发量减少了一个数量级以上。这些混合物的高二氧化碳吸收能力和低胺挥发性为更可持续和节能的碳捕获技术开辟了一条有前途的道路,为相关的工业应用铺平了道路。
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引用次数: 0
Impact of fluctuating temperature and pressure of injected CO2 on adsorption performance in a packed-bed reactor: A CFD-based study 注入二氧化碳的温度和压力波动对填充床反应器吸附性能的影响:基于cfd的研究
IF 8.4 2区 工程技术 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-12-01 Epub Date: 2025-10-29 DOI: 10.1016/j.jcou.2025.103253
Ali M. Sefidan, Jari Vepsäläinen
This study investigates the influence of oscillatory inlet conditions on CO2 adsorption performance and energy efficiency in a packed-bed reactor using Computational Fluid Dynamics (CFD) modelling. Baseline operating values of 3 bar and 20 °C were selected as representative conditions, and systematic oscillations in pressure (AP=±0.2 to 2 bar) and temperature (AT=±2 to 10 °C) were imposed at frequencies of 0.001 to 0.01 Hz. Three forcing patterns – snusoidal, triangular, and step changes – were considered and compared to steady operation. The results show that pressure oscillations dominate the dynamic adsorption response: large amplitudes (±2 bar) reduce average CO2 uptake by up to 16% and increase specific energy consumption by 18% relative to steady-state. Temperature oscillations alone have negligible impact under the present baseline, as symmetric forcing cancels over each cycle; however, when temperature oscillations are coupled with pressure swings, they significantly affect the cooling energy load. Among waveform types, triangular oscillations achieve the most favourable balance of adsorption performance and energy demand, while step changes lead to the poorest efficiency. Overall, the findings demonstrate that oscillatory injection conditions generally reduce adsorption performance, with pressure fluctuations exerting the strongest influence, underscoring the importance of pressure-stabilizing strategies for efficient CO2 capture.
利用计算流体动力学(CFD)模型研究了振荡进口条件对填料床反应器CO2吸附性能和能效的影响。选择3 bar和20°C的基线工作值作为代表性条件,并在0.001至0.01 Hz的频率下施加压力(AP=±0.2至2 bar)和温度(AT=±2至10°C)的系统振荡。考虑了三种强迫模式——正弦、三角形和阶跃变化,并与稳定运行进行了比较。结果表明,压力振荡主导了动态吸附响应:相对于稳态,大振幅(±2 bar)可使平均二氧化碳吸收量减少16%,比能量消耗增加18%。在目前的基线下,温度振荡本身的影响可以忽略不计,因为对称强迫在每个周期内都会取消;然而,当温度波动与压力波动耦合时,它们会显著影响冷却能量负荷。在波形类型中,三角振荡达到了吸附性能和能量需求的最佳平衡,而阶跃变化导致效率最差。总体而言,研究结果表明,振荡注入条件通常会降低吸附性能,其中压力波动的影响最大,强调了压力稳定策略对有效捕获CO2的重要性。
{"title":"Impact of fluctuating temperature and pressure of injected CO2 on adsorption performance in a packed-bed reactor: A CFD-based study","authors":"Ali M. Sefidan,&nbsp;Jari Vepsäläinen","doi":"10.1016/j.jcou.2025.103253","DOIUrl":"10.1016/j.jcou.2025.103253","url":null,"abstract":"<div><div>This study investigates the influence of oscillatory inlet conditions on CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> adsorption performance and energy efficiency in a packed-bed reactor using Computational Fluid Dynamics (CFD) modelling. Baseline operating values of 3 bar and 20 °C were selected as representative conditions, and systematic oscillations in pressure (<span><math><mrow><msub><mrow><mi>A</mi></mrow><mrow><mi>P</mi></mrow></msub><mo>=</mo><mo>±</mo><mspace></mspace><mn>0</mn><mo>.</mo><mn>2</mn></mrow></math></span> to 2 bar) and temperature (<span><math><mrow><msub><mrow><mi>A</mi></mrow><mrow><mi>T</mi></mrow></msub><mo>=</mo><mo>±</mo><mspace></mspace><mn>2</mn></mrow></math></span> to 10 °C) were imposed at frequencies of 0.001 to 0.01 Hz. Three forcing patterns – snusoidal, triangular, and step changes – were considered and compared to steady operation. The results show that pressure oscillations dominate the dynamic adsorption response: large amplitudes (<span><math><mo>±</mo></math></span>2 bar) reduce average CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> uptake by up to 16% and increase specific energy consumption by 18% relative to steady-state. Temperature oscillations alone have negligible impact under the present baseline, as symmetric forcing cancels over each cycle; however, when temperature oscillations are coupled with pressure swings, they significantly affect the cooling energy load. Among waveform types, triangular oscillations achieve the most favourable balance of adsorption performance and energy demand, while step changes lead to the poorest efficiency. Overall, the findings demonstrate that oscillatory injection conditions generally reduce adsorption performance, with pressure fluctuations exerting the strongest influence, underscoring the importance of pressure-stabilizing strategies for efficient CO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> capture.</div></div>","PeriodicalId":350,"journal":{"name":"Journal of CO2 Utilization","volume":"102 ","pages":"Article 103253"},"PeriodicalIF":8.4,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412419","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}
引用次数: 0
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Journal of CO2 Utilization
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