JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2023
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IF 2.6
Xiudong Zhang,Xianqiang Li,Chundong Zhang,Leiyu Zhang,Ruxing Gao
In order to achieve deep decarbonization for the purification process of coal-based syngas, developing efficient and clean solvents with strong CO2 absorption ability is essential. Considering this point, this work measured the vapor–liquid equilibrium (VLE) data of the CO2 + diisopropyl ether (DIPE), CO2 + methyl tert-butyl ether (MTBE), and CO2 + 1,2-dimethoxy ethane (1,2-DME) binary systems at 253.15 K, with an experimental pressure ranging from 0.30 to 1.85 MPa. From the experimental results, it can be seen that 1,2-DME has the strongest CO2 absorption capacity, followed by MTBE and DIPE. Meanwhile, it is found that the ether bonds can significantly improve the absorption ability of the solvent for CO2, whereas the increase in molecular weight can result in a negative impact. Finally, the Soave–Redlich–Kwong (SRK), Peng–Robinson (PR), and perturbed-chain statistical associating fluid theory (PC-SAFT) models were used to correlate the VLE data and obtain the binary interaction parameters kij. From the results, it is found that PR and SRK models are more suitable to correlate the VLE data of the CO2 + ether system. This work not only can provide a crucial reference for the selection of solvents with stronger CO2 absorption capacity but also provides accurate basic data for process simulation and optimization in the purification process of raw syngas.
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CHEMICAL ENGINEERING JOURNAL
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2023
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IF 15.1
Jiaqi Ruan,Zongze Lv,Yong He,Xin Huang,Jingyu Ran,Changlei Qin
High-temperature CO 2 adsorption has an attractive prospect in reducing CO 2 emissions efficiently. As the core of CO 2 adsorption technology, sorbents suffer from a well-known problem of capacity degradation as a result of sintering during cyclic CO 2 adsorption and desorption at high temperatures. This work aims to understand the microstructural evolution of Li 4 SiO 4 , one of the most typical and promising sorbents, during CO 2 capture. In-situ Transmission Electron Microscopy was used to directly capture the morphological variation of Li 4 SiO 4 sorbents. Comprehensive characterization techniques were adopted to quantify microstructural parameters of Li 4 SiO 4 under different conditions . The real-time shrinkage of Li 4 SiO 4 particles was demonstrated and equations on grain growth, specific surface area reduction, and pore volume evolution were established. The work can not only reveal the reason for the reduction of CO 2 capacity, but provide a theoretical guidance for the development of sintering-resistant CO 2 sorbents.
研究领域:
材料科学
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环境科学
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Molecular Catalysis
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2022
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IF 5.089
Xiao-Chao Chen,Lin Guo,Guang-Hui Shi,Kai-Chun Zhao,Yong Lu,Ye Liu
Carbon dioxide (CO 2 ) was found to serve as a novel and green catalyst for the first time in N -formylation of amines with N, N -dimethylformamide (DMF), wherein only the aliphatic amines were applicable to afford the formamides in the yield of 71∼95%. The isotope labeling experiment with DMF- d 7 indicated that the N -formyl group in the formylated product was originated from DMF rather than CO 2 . The control experiments and the in situ high-pressure FT-IR spectra demonstrated that the formation of the carbamate salt of cyclohexylammonium cyclohexylcarbamate ( A ) derived from the reaction of CO 2 with cyclohexylamine was the driving force for this reaction. Accordingly, the mechanism of CO 2 -catalyed N -formylation of aliphatic amines with DMF was proposed, involving the formation of carbamate salt intermediate with enhanced nucleophilicity in anion in favor of the attack on carbonyl-group of DMF.
研究领域:
有机化学
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绿色化学
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Small Methods
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2026
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IF 8.7
Xiaochen Feng,Zihao Huang,Mingwei Fang,Meiling Wang,Jinyue Ma,Zewen Wang,Ying Zhu,Lei Jiang
Electrochemical CO 2 reduction (CO 2 RR) to ethanol offers a sustainable route for carbon utilization and energy storage, yet achieving high ethanol selectivity under limited CO 2 availability remains a significant challenge. The central issue is the lack of quantitative understanding of how the interfacial * CO and * H intermediates jointly govern product selectivity. Here, we establish an interfacial coverage regulation strategy by embedding Cu nanoparticles into an imine-functionalized covalent organic framework (Cu/Im-COF). The imine-rich interface enriches CO 2 adsorption while modulating proton transfer, enabling a balanced surface coverage of * CO and * H, identified as the key selectivity descriptor ( θ *CO/*H ) for ethanol formation. Operando Raman spectroscopy, density functional theory calculations, confirms that an optimized θ *CO/*H stabilizes the * HCCHOH intermediate and lowers its formation barrier. Quantitative integration of Raman features allows direct determination of θ *CO/*H , revealing a volcano-type dependence of ethanol selectivity on this descriptor. A maximum ethanol Faradaic efficiency of 56% is achieved at log( θ *CO/*H ) ≈ 3.0, a current density of 700 mA cm − 2 , and a 15% CO 2 feed. This work establishes θ *CO/*H as a quantitative bridge between intermediate coverage and reaction kinetics, providing a mechanistic framework for rational design of CO 2 RR catalysts with high ethanol selectivity under CO 2 -constrained conditions.
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PubMed
高影响因子
FUEL
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2026
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IF 7.5
Xuanyu Lin,Yiming Qin,Xinyu Feng,Hanzhen Liu,Zhenhang Lu,Xin Tang
CO 2 as a rich source of carbon can provide an alternative route to produce value-added chemicals. Electrocatalysis is one of the most promising approaches to convert CO 2 captured from the atmosphere into valuable chemicals. However, the CO 2 molecule is relatively stable and requires a large amount of energy to activate CO 2 for conversion. We develop a new creative type of solid-state CO 2 fuel cell that can generate high-value-added chemicals through electrochemical reduction of CO 2 without external electrical energy input while achieving self-power generation, operating in the medium temperature range of 400–700 ℃. This study demonstrates a fuel cell operating at 570 °C, which achieves a current density of 686.0 A·m −2 and a power density of 98.8 W·m −2 . Under these conditions, the fuel cell achieved a product formation rate of 140.0 μmol·g cat −1 ·h −1 . The system’s operational parameters enable its integration into combined heat and power (CHP) generation, simultaneously facilitating CO 2 conversion, thereby aligning with sustainable energy and emissions reduction strategies.
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Surfaces and Interfaces
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2026
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IF 6
Xinxiong Wang,Yunpeng Liu,Aiting Xu,Qiao Zhang,Guangxing Yang,Lianpeng Tong,Feng Peng
The conversion of CO 2 into value-added chemicals using solar energy represents an ideal pathway to address the energy and environmental crises. However, the application of photocatalytic CO 2 reduction is still being hindered by the low CO 2 mass transfer and rapid charge carriers’ recombination. In this study, a Ga 2 O 3 /La 2 O 2 CO 3 composite heterojunction (GaO/LaOCO) with a surface rich in La(OH) 3 was constructed, successfully achieving both enhanced CO 2 adsorption and charge-separation efficiency. The composite undergoes a surface reconstruction of La(OH) 3 to La 2 (CO 3 ) 3 , resulting in a surface CO 3 2− layer that is conducive to CO 2 chemical adsorption and activation. In addition, band structure analysis confirms the formation of an energy-level alignment favorable for directional charge transfer. Under simulated sunlight, the prepared composite exhibits optimal photocatalytic CO 2 reduction activity without sacrificial agents and photosensitizers, achieving a CO production rate of 15.33 μmol g −1 over 5 h, along with good cycling stability. This enhanced activity originates from the synergy between surface La(OH) 3 for CO 2 enrichment/activation and Ga 2 O 3 for efficient electron transport. This work provides a strategy for enhancing photocatalytic CO 2 reduction performance by tailoring catalyst surface properties and interfacial structures.
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Advanced Energy Materials
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2026
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IF 25.5
Zhen Wang,Jun-Ke Liu,Li Deng,Gui-Zeng Liang,Kai Ying,Zhen-Mao Lai,Jing-Juan Wang,Chuan-Wei Wang,Yue-Feng Xu,Yao Zhou,Jun-Tao Li
When CO 2 undergoes a two-electron partial reduction during the discharging process of Li-CO 2 batteries, it produces thermodynamically active Li 2 C 2 O 4 , which readily decomposes during subsequent charging. This offers a promising opportunity to mitigate the large charging overpotential and enhance the battery's cycling stability. However, as an intermediate, Li 2 C 2 O 4 tends to transform to the inert Li 2 CO 3 readily. In this work, we report a high-performance cathode catalyst featuring ultrasmall RuO 2 and BiOCl uniformly co-decorated on an MXene substrate (RuO 2 -BiOCl). It effectively stabilizes Li 2 C 2 O 4 during discharge, facilitating the two-electron partial reduction of CO 2 ; meanwhile, it can also modulate the morphology of discharge products, resulting in an intimate and extensive solid–solid interface between the insulating discharging product and the electrocatalyst. This together avoids accumulation of bulky, highly inertial and insulating Li 2 CO 3 in the cathode during cycling, which decreases the charging polarization and prolongs the Li-CO 2 battery life span. The optimal Li-CO 2 battery delivers a high discharge capacity of 10.33 mAh cm −2 during the first full cycle, and extraordinary durability, sustaining over 10 000 h of operation with a fixed areal capacity of 0.10 mAh cm −2 at 0.02 mA cm −2 . By tuning the CO 2 reduction path, this work offers a novel approach for building high-performance, practically workable Li-CO 2 batteries.
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ENERGY & FUELS
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2026
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IF 6
Qi Gao,Shuai Liu,Japan Trivedi,Emanuel X. Ricky,Xingguang Xu
In fractured reservoirs, strong heterogeneity often promotes early CO2 breakthrough along dominant flow paths, significantly reducing sweep efficiency and oil recovery. A staged injection strategy combining a CO2-responsive gel (CRG) and a CO2-responsive foam (CRF) can synergistically seal high-permeability channels and enhance displacement efficiency. In this work, two CRGs (CR-DDN and CR-DAN) were synthesized via free-radical polymerization of N-(3-(dimethylamino)propyl)methacrylamide, acrylamide, N,N-dimethylacrylamide, and N-vinylpyrrolidone. At 80 °C, their swelling ratios reached 39 and 30 °C after CO2 exposure, respectively. Rheological analysis and SEM imaging indicated that the layered-stacking morphology of CR-DDN provided greater structural integrity than the irregular sponge-like network of CR-DAN. Correspondingly, at 80 °C, the elastic modulus of CR-DDN (3518 Pa) was approximately 3.5 times that of CR-DAN (993 Pa). Core-scale EOR tests in artificial fractured cores treated with CR-DDN showed that the gel not only restricted gas mobility by sealing fractures but also contributed to residual oil mobilization through its viscoelastic properties, yielding incremental recoveries of 14.5%–25.5% during gel injection depending on matrix permeability. Incorporating CRF further enhanced the CO2-breakthrough control. Compared with coinjection, two surfactant-alternating-gas (SAG) cycles established a more sustained resistance plateau and increased the ultimate recovery to 76.91%. These findings provide guidance for designing robust CRGs and demonstrate the potential of staged foam-gel treatments to enhance the CO2 flooding performance in fractured reservoirs.
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PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS
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2024
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IF 1.4
Xueting Liu,Kuayue Li,Wenkui Liu,Peng Cui,Fengyu Wei
The multiphase catalysts DMSNs-Cb-X containing NHC-CO2 adducts were synthesized by soft template method that is, first preparing dendritic multi-model pore silica nanoparticles (DMSNs) with central-radial structure, and then grafting imidazoline functional groups, and finally allowing to react with dimethyl carbonate to graft NHC-CO2 adducts. The investigations had the scope to improve the performance and to elucidate the effect of NHC-CO2 adducts on the CO2 cycloaddition reaction. The optimum catalyst DMSNs-Cb-1 and the optimum reaction conditions (200 mg, 100 °C, 10 h) were obtained via thermogravimetric analysis. CO2 cycloaddition reaction with epoxide DMSNs-Cb-1 can convert CO2 and epoxide to cyclic carbonate at ambient pressure without solvent and co-catalysts (1 bar, 100 °C). The reaction proceeds with high yield and high conversion frequency (TOF = 27.4 h−1). The prepared catalyst is easily recovered and still has high activity after five cycles of experiments. The excellent catalytic performance of the obtained catalyst can be attributed to the synergy of hierarchical porous structure and NHC-CO2 adducts acting as CO2 adsorption sites as well as zwitterionic catalytic sites. This work demonstrates an efficient strategy for green conversion of CO2 into cyclic carbonates.
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Materials Today Communications
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2021
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IF 3.383
Yuanting Qiao,Zhen Zhan,Yuwan Yang,Manying Liu,Qi Huang,Bien Tan,Xuebin Ke,Chunfei Wu
Hypercrosslinked polymers (HCPs) are very promising for large-scale applications due to their easy preparation, high thermal stability, and good capability of CO 2 capture. Currently, many amine-functionalized porous materials are prepared through two steps. In this paper, the amine-functionalized HCPs was obtained with a one-step method and it showed a high CO 2 adsorption up to 4.24 mmol/g at 273.15 K. In addition, since the azo-functionalized porous materials have many potential applications like the photoresponsive ‘smart’ materials, azobenzene is an attracting functional group for the development of porous materials. Herein, the azo-functionalized HCPs is firstly reported, and it is used as CO 2 adsorbents (3.02 mmol/g at 273.15 K) performing good CO 2 /N 2 selectivity (34.52 at 298.15 K).
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ACS Applied Materials & Interfaces
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2021
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IF 9.229
Changyang Liu,Shuting Li,Jianquan Gao,Liuzhen Bian,Yunting Hou,Lijun Wang,Jun Peng,Jinxiao Bao,Xiwen Song,Shengli An
The development of cathode materials with high catalytic activity and low cost is a challenge for CO2 electrolysis based on solid oxide electrolysis cells. Herein, we report a low-cost and highly active metallic Fe nanoparticle-decorated Ruddlesden-Popper (La, Sr)FeO4+δ cathode catalyst (Fe-RPLSF), which shows a high oxygen vacancy concentration and robust CO2 reduction rate. At 850 °C, the current density of the electrolysis cell with the Fe-RPLSF cathode reaches −1920 mA cm–2 at a voltage of 1.5 V, and the Faraday efficiency is as high as 100%. The polarization resistance at low frequency (0.1–10 Hz), which is the rate-limit step for CO2 electrolysis, significantly decreases with the exsolved Fe nanoparticles because of improved CO2 dissociative adsorption. Moreover, our electrolysis cell demonstrates acceptable short-term stability for direct CO2 electrolysis.
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PubMed
高影响因子
Energy Storage Materials
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2019
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IF 0
Feilong Qiu,Siyun Ren,Xiaowei Mu,Yijie Liu,Xueping Zhang,Ping He,Haoshen Zhou
Rechargeable Li–CO 2 batteries are very attractive energy storage devices because of their high theoretical energy density and unique CO 2 capture capability. Unfortunately, Li metal anode is unstable to the widely used ethers-based electrolytes, and the related Coulombic efficiency is low. Here, in the ethers-based electrolyte, the effects of CO 2 to the Li metal anode was studied. Using a porous electrode , the reduced CO 2 will be replenished from outside upon cycling. We found that, sufficient CO 2 contributed to the formation of stable solid electrolyte interface (SEI) layers and protected the Li metal anode from rapid consumption. Under a current density of 1.0 mA cm −2 , the Coulombic efficiency of Li metal reached 99.0% after 200 cycles. Our work helps the researchers better understand the effects of CO 2 crossover on anode and also provides a promising method to develop a stable Li metal anode for Li–CO 2 battery.
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