Petroleum Science
·
2022
·
IF 4.757
Jun-Liang Wang,Zi-Hao Song,Lin-Jun Li,Li-Li Yang,Quan-Yuan Wang,I-Ming Chou,Zhi-Yan Pan
To determine the solubility of CO 2 in n-dodecane at T = 303.15–353.15 K, P ≤ 11.00 MPa, an integrated fused silica capillary and in-situ Raman spectroscopy system was built. The Raman peak intensity ratio ( I CO 2 / I C - H ) between the upper band of CO 2 Fermi diad ( I CO 2 ) and the C–H stretching band of n-dodecane ( I C - H ) was employed to determine the solubility of CO 2 in n-dodecane based on the calibrated correlation equation between the known CO 2 molality in n-dodecane and the I CO 2 / I C - H ratio with R 2 = 0.9998. The results indicated that the solubility of CO 2 decreased with increasing temperature and increased with increasing pressure. The maximum CO 2 molality (30.7314 mol/kg) was obtained at 303.15 K and 7.00 MPa. Finally, a solubility prediction model ( ln S = ( P − A ) / B ) based on the relationship with temperature ( T in K) and pressure ( P in MPa) was developed, where S is CO 2 molality, A = − 8 × 10 − 6 T 2 + 0.0354 T − 8.1605 , and B = 0.0405 T − 10.756 . The results indicated that the solubilities of CO 2 derived from this model were in good agreement with the experimental data.
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KOREAN JOURNAL OF CHEMICAL ENGINEERING
·
2018
·Vol. 35
·期 4
·956-963
·
IF 2.199
Li Guangtao,Sun Liwei,Tang Shaokun
We propose a new method of resin adsorption (RA) coupled with supercritical fluid elution (SFE) for removal of pesticide residue and recovery of ginsenosides from ginseng extracts. D-101-1 resin was selected as the proper adsorption resin, acetone- n -hexane (4 : 6, v : v) served as the modifier with the flow rate of 1.5 mL/min during supercritical CO 2 elution of procymidone at 25 MPa, 55°C for 2 h, and absolute ethanol as the modifier at a flow rate of 1 mL/min for supercritical CO 2 elution of ginsenosides at 20 MPa, 60°C and 1 h. The results showed that the content of procymidone in the final products was only 0.0089 mg/kg. Meanwhile, the recovery rate of ginsenosides reached up to 92.5%. RA-SFE procedure provides an efficient approach to remove pesticide residue traces with little loss of active ingredients. The used resin can be recycled without any additional regeneration.
研究领域:
天然药物化学
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分析化学
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农药残留检测
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中药质量控制
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分离纯化技术
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ELECTROCHIMICA ACTA
·
2017
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IF 4.798
Limin Liu,Yong Wang,Xiaoliang Zhou,Yixuan Yang,Chao Ma,Yuan Li,Chen Wang,Xiaohong Zhao,Bin Li
A cermet fuel electrode Cu/Ce 0.6 Mn 0.3 Fe 0.1 O 2-δ (Cu/CMF) is proposed for a reversible solid oxide electrochemical cell (SOC) with CO/CO 2 as the shuttle. Cu is inert for the carbon deposition and CMF is electrochemically active for CO oxidation and CO 2 reduction. The electrode polarization resistances in CO at 700, 750 and 800 °C are 0.328, 0.207 and 0.155 Ω cm 2 , respectively, presenting high electrochemical activity towards CO oxidation. The maximal power densities can reach up to 303.3, 482.2 and 691.9 mW/cm 2 at 700, 750 and 800 °C, respectively. When the reversible SOCs are operated in solid oxide electrolysis cell mode, the polarization resistance of the electrolysis cell for pure CO 2 reduction at 800 °C has the minimal value of 0.126 Ω cm 2 at 1.8 V. At 2.0 V, the current densities can reach up to 0.584 1.219 and 2.204 A/cm 2 at 700, 750 and 800 °C, respectively. The durability of the cell in CO for as long as 200 h indicates the electrode has remarkable stability. And the short-term stability characteristics for CO 2 electrolysis at different voltages illustrate that the cell performs well below 2.0 V. The harsh reducing environment at 2.0 V may be detrimental to the Cu/CMF electrode.
研究领域:
电化学
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能源材料
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功能陶瓷
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催化化学
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可再生能源
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电化学能量转换
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JOURNAL OF MOLECULAR LIQUIDS
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2024
·
IF 5.3
Ke Bei,Youyan Wang,Dan Yang,Qizhi Shao,Xiangyong Zheng,Min Zhao,I-Ming Chou,Jun Kikuchi,Zhiyan Pan
This study used a high pressure optical cell (HPOC) combined with a heating/cooling stage, a pressure device, and a laser Raman spectrometer to investigate the volume expansion (VE) of CO 2 + tetradecane and CO 2 + hexadecane mixtures under geological storage conditions. Abrupt changes in VE were observed near the CO 2 critical point (CP), which is assumed to be ubiquitous in CO 2 + long-chain alkane mixtures with ≥14 carbon alkanes. This is due to the critical anomaly of the thermodynamic behavior of the mixture near the CP of CO 2 , which inhibits the VE of CO 2 + long-chain alkanes at lower temperatures. In addition, four machine learning (ML) algorithms, including backpropagation neural network (BPNN), K-nearest neighbors (KNN), random forest (RF), and support vector regression (SVR), were applied to predict the volume expansion factor (VEF). The BPNN model provided much higher robustness and accuracy with correlation coefficient ( R 2 ) >0.98 and mean square error ( MSE ) <0.03, which indicates a strong agreement between the predicted result and matching experimental data. We concluded that a predictive framework built using ML could provide rapid predictions of the volume change curve or curved surface of CO 2 + organic mixtures under various temperature and pressure conditions.
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2025
·
IF 8.5
Xianglong Li,Haoxian Huang,Yachuan Yuan,Mingdong Wang,Xuanyu Cao,Yanbin Feng,Song Xue
Excessive CO 2 emissions have led to increasingly severe climate and environmental challenges. Within the framework of carbon neutrality, biological carbon fixation is a promising approach to improve the ecological environment and optimize energy systems. Salicylic acid decarboxylase (SAD) catalyzes the conversion of CO 2 and phenolic compounds into salicylic acid derivatives. However, the efficiency of CO 2 fixation in this process is low and is limited by the difficulty of product release during carboxylation. In this study, the engineered SAD, with the tunnel microenvironment remodeled to increase the turnover number ( k cat ), exhibited heightened CO 2 fixation efficiency. The mutant K23A/Y64T introduces a new tunnel architecture that indirectly enlarges the bottleneck radius of the native tunnel. These changes in the tunnel microenvironment facilitated product release, which was supported by evidence from both the catalytic activity and random acceleration molecular dynamics (RAMD). Kinetic analysis revealed that K23A/Y64T exhibited a 26-fold increase in catalytic efficiency ( k cat / K m ) with a K m consistent with that of the wild type, and the CO 2 conversion efficiency increased 14-fold. Dynamic cross-correlation matrices (DCCM) illustrated that α1 with K23A and loop5 with Y64T performed anticorrelated movements, enabling a change in the tunnel microenvironment between the two regions. Unlike conventional approaches targeting substrate–enzyme interactions, this study demonstrates that protein tunnel remodeling can intrinsically enhance carboxylation activity and holds potential for broad substrate applicability.
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PubMed
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ChemCatChem
·
2025
·
IF 3.9
Wenhao Zhang,Liang Shen,Fayang Zhou,Xinyu Cao,Jiacheng Chen,Sheng Dai,Jing Xu,Minghui Zhu
Understanding the role of support is of guiding significance for studying the structure–activity relationship of supported Ni-based catalysts. In this work, catalysts with 0.1, 1, and 10 wt.% of NiO supported on CeO 2 , ZrO 2 , TiO 2 , and Al 2 O 3 were prepared by the impregnation method. The catalytic performance of CO 2 methanation was correlated with Ni particle size, reducibility, and basicity. The activity of the catalyst was found to be positively correlated with both the Ni particle size and reducibility, which promote the hydrogen dissociation and CO 2 activation processes, respectively. However, the basicity of the catalyst does not seem to be related to the reaction activity. Moreover, the coexistence of formate and the associative mechanism over the catalysts was evidenced. Graphical This work reveals that in CO 2 methanation over supported Ni catalysts, catalytic activity correlates positively with Ni particle size and reducibility, enhancing H 2 dissociation and CO 2 activation, respectively, but not with basicity. The coexistence of formate and associative mechanisms is confirmed over nickel-based catalysts in this work.
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ChemNanoMat
·
2026
·Vol. 12
·期 1
·e202500755
·
IF 2.6
Xihui Yang,Dapeng Meng,HaoZe Liu,Zikun Yang,Anyu Zhang,Zhao Wang
The catalytic performance of metal oxides is profoundly influenced by their crystal phase, yet the underlying mechanism often remains elusive. Herein, we systematically investigate the crystal-phase-dependent activity of indium oxide (In 2 O 3 ) for the electrocatalytic CO 2 reduction reaction (CO 2 RR) to formate. Through a solvent-controlled hydrothermal synthesis, we prepared phase-pure cubic (c-In 2 O 3 ) and hexagonal (h-In 2 O 3 ) polymorphs. Electrochemical evaluations reveal that h-In 2 O 3 significantly outperforms c-In 2 O 3 , achieving a superior formate Faradaic efficiency of 86.3% at −0.8 V versus reversible hydrogen electrode and demonstrating a notably higher partial current density across a wide potential window. In situ attenuated total reflection surface-enhanced infrared absorption spectroscopy identifies a more intense signal for the *OCHO intermediate on h-In 2 O 3 , indicating facilitated reaction kinetics. Density functional theory calculations reveal the origin of this enhancement: the predominant (104) facet of h-In 2 O 3 not only strengthens CO 2 adsorption but also significantly lowers the energy barrier for the formation of the *OCHO intermediate, the rate-determining step. Furthermore, this facet concurrently suppresses the competing hydrogen evolution reaction and CO pathway. This work elucidates the intrinsic advantages of the hexagonal phase in In 2 O 3 -based CO 2 RR electrocatalysts, providing a fundamental principle for catalyst design via crystal-phase engineering.
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CHEMICAL ENGINEERING JOURNAL
·
2026
·
IF 12.5
Niankun Guo,Tianjing An,Zhaohao Li,Dan Gao,Jiaxi Yang
The chemical absorption and the physical adsorption constitute primary mechanisms in conventional CO 2 capture methods. This work proposes a novel porous ionic liquid synthesized by coupling these two mechanisms to enhance the CO 2 capture performance. Specifically, [TEPA][N-MIm] reacts with CO 2 to form carbamate species, while ZIF-8 nanoparticles are incorporated to construct stable cavity structures within the solution, providing physical adsorption sites for CO 2 . Based on CO 2 capture experiments and bubble dynamics high-speed photography experiments, CO 2 capture processes by [TEPA][N-MIm] consist of three phases: the rapid reaction phase, the slow capture phase, and the stabilization phase. Generally, improving the CO 2 mass transfer performance through methods such as increasing flowrate also enhances the capture performance. However, temperature elevation introduces more complex effects: The chemical reaction rate and the physical solubility exhibit opposing trends, and the CO 2 capture performance varies among different types of PILs. Additionally, when the solution temperature reaches a specific threshold, partial carbamate begins to decompose, leading to the stabilization of the CO 2 capture capacity.
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Chemistry-An Asian Journal
·
2026
·Vol. 21
·期 4
·e00988
·
IF 3.2
Kiet Le Anh Cao,Oktaviardi Bityasmawan Abdillah,Tomoyuki Hirano,Eka Lutfi Septiani,Takashi Ogi
The accelerating rise of atmospheric CO 2 remains a central driver of global climate change, highlighting the urgent need for scalable and energy‐efficient carbon capture technologies. Porous carbons are among the most promising solid adsorbents due to their high surface area, chemical stability, and tunable pore structures, which facilitate efficient CO 2 adsorption and low regeneration energy. Lignin is a renewable aromatic by‐product of the pulp and paper industry, which offers exceptional promise as a sustainable carbon source due to its abundance (50–70 Mt/year), high carbon content (>60 wt%), and rich aromatic structure. Unlike previous reviews broadly covering biomass‐derived carbons, this review focuses on recent advances in lignin‐derived porous carbons for CO 2 capture, correlating preparation strategies with structural evolution and adsorption performance. Chemical activation, templating, and hybrid methods enable precise control of ultramicropores (<0.7 nm), mesoporous channels, and heteroatom functionalities, which synergistically determine adsorption capacity, selectivity, and regeneration energy. Emerging approaches such as amine functionalization introduce strong chemisorption sites for post‐combustion and direct‐air capture, while AI‐assisted design accelerates understanding of synthesis–property–performance relationships. Despite remarkable progress, remaining challenges in feedstock variability, scalability, and greener process development are discussed along with future prospects for sustainable CO 2 capture using lignin‐derived porous carbons. Lignin‐derived porous carbons offer a sustainable and scalable route for high‐performance CO 2 capture. By tailoring ultramicroporosity, hierarchical pore networks, and heteroatom functionalities through chemical activation, templating, and hybrid methods, adsorption capacity and selectivity can be optimized. This review correlates. synthesis–structure–performance relationships to enable the rational design of scalable, energy‐efficient carbon capture materials for circular carbon technologies.
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Surfaces and Interfaces
·
2026
·
IF 6
Ying-Ying Chao,Meng Shi,Meng-Qi Zhang,Feng-Cui Shen
Electrochemical CO₂ reduction reaction (CO₂RR) is a promising approach for sustainable production of chemicals and fuels, but faces challenges such as low product selectivity and competition from the hydrogen evolution reaction. Herein, an advanced dual heterojunctions catalyst was constructed by integrating hydrogen-bonded organic frameworks (HOFs)-derived two-dimensional (2D) porous N-doped carbon (NC) with copper (Cu) nanoparticles and cerium dioxide (CeO 2 ) nanoparticles, which simultaneously optimized the electronic structure and local reaction environment. The as-synthesized Cu-CeO 2 /NC-1 catalyst integrated p-n heterojunction and Mott-Schottky heterojunction, which synergistically facilitated efficient electron transfer while modulating the adsorption energetics of key reaction intermediates, thereby significantly enhancing the intrinsic catalytic activity. The catalyst exhibited outstanding electrocatalytic performance, achieving a high CO Faradaic efficiency of 96.26% at -0.9 V RHE , demonstrating excellent operational stability over 60 hours of continuous electrolysis. Experimental and density-functional theory calculations demonstrated that the formation of dual heterojunctions triggers charge redistribution and the formation of a built-in electric field at the interface, which enhanced the adsorption and activation of CO₂ at the interface under low overpotentials. This work not only highlighted the considerable potential of dual heterojunctions architectures for advancing CO₂RR technology, but also provided fundamental insights of interfacial synergy in heterostructured electrocatalysts.
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ACS Nano
·
2026
·
IF 17.3
Zezhong Xie,Jinli Yu,Hao Yang,Jian Chen,Muzi Yang,Mingyang Li,Kun Wang,Qiushi Wang,Kai-Hang Ye,Gangfeng Ouyang
The solid–liquid–gas triple-phase interface in the CO2 electro-reduction reaction (CO2RR) is pivotal for determining catalytic activity and selectivity, as it influences both the kinetics and thermodynamics of the reactions. However, observing this interface in situ is challenging because it forms at the interface among the solid catalyst, the flowing electrolyte, and the turbulent CO2. To address the issues, we achieved unobstructed in situ Raman observations at the microscale by developing a straightforward catalyst-integrated gas diffusion electrode (GDE). This monolithic GDE, featuring a biomimetic hydrophobic structure, fully releases the triple-phase interface─an essential prerequisite for enabling the in situ detection. Characterizations reveal that the microenvironment at the triple-phase interface significantly enhances multicarbon (C2+) selectivity. Furthermore, using advanced in situ 3D Raman tomography, we successfully visualized the spatial distribution of the triple-phase interface with high precision. The integration of in situ Raman spectroscopy with computational modeling has provided invaluable insights into the evolution of species within the microenvironment, elucidating a high local pH and rapid CO2 mass transfer at the triple-phase interface.
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Carbon Capture Science & Technology
·
2026
·
IF 10.2
Shuo Xiang,Jun-Long Li,Tie Wu,Lian-Peng Li,Mian Hu,Jun Zhao,Zhong-Ting Hu,Zhiyan Pan
The growing demand for efficient carbon capture technologies has led to the exploration of biochar as a promising material for CO 2 adsorption, particularly through modifications such as nitrogen doping to enhance its performance. In this study, a series of biochars were prepared using different types of amine reagents and varying amounts of nitrogen doping. The highest adsorption capacity, 4.99 mmol g -1 , was achieved at 25 °C and 1.6 MPa when ethylenediamine was employed as the nitrogen source, with a mass ratio of the amine reagent to biochar of 1.2. Correlation analysis indicated that both physical and chemical adsorption significantly influenced CO 2 adsorption capacity. Additionally, by constructing biochar models with varying nitrogen contents and different nitrogen doping forms, theoretical calculations revealed that nitrogen doping could enhance the adsorption energy between CO 2 and biochar. This improvement in adsorption performance was more pronounced with higher nitrogen content. In this work, not only N-doped biochar with excellent CO 2 adsorption performance was prepared from waste biomass, but also the promotion mechanism of N-doped was revealed in detail by combining theoretical calculations and experiments.
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