JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2018
·
IF 5.091
Xianglong Huang,Qiuju Xu,Wei Gao,Tingting Yang,Renming Zhan,Jianhua Deng,Bingshu Guo,Mengli Tao,Hongdong Liu,Maowen Xu
In this work, porous carbon matrix derived from metal-organic frameworks is synthesized by a facile carbonation process for confining element selenium. The Se/nitrogen-doped porous carbon composite is applied as the cathode for rechargeable K-Se batteries for the first time. The abundant and hierarchical porous structure is advantageous in overcoming the volume expansion problem caused by polyselenides during discharge-charge process. The in-situ nitrogen-doped porous carbon enhances electronic conductivity of the cathode composite material. The electrochemical result shows that the as-obtained Se/nitrogen-doped porous carbon composite with Se content of 53% delivers good rate capacity with coulombic efficiency of nearly ∼90% and a reversible cycling capacity of 327 mA h g −1 at 0.2 C, maintaining about 130 mA h g −1 even after 100 cycles.
研究领域:
材料科学
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电化学
✓ 已验证
DOI
PubMed
高影响因子
International Journal of Greenhouse Gas Control
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2019
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IF 3.231
Mimi Xu,Shujuan Wang,Lizhen Xu
21 pairs of physical-chemical biphasic solvents were screened out using a fast screening facility and the distribution of components was detected both in upper and lower phases after absorption. The physical solvents and amines were enriched in opposite phases due to the limited solubility of absorption products in the physical solvents, and the enrichment of components gets higher as the loading time goes by. Comparisons of the cyclic capacity showed that MEA and DETA were much better main solvents than BDA in biphasic solvents, and 2.5 DETA-4 sulfolane has the highest CO 2 cyclic capacity of 4.486 mol L −1 , which was much higher than that of 30 wt% MEA. The concentrations of physical solvents influence the cyclic capacity a lot rather than the types of physical solvents. Then the phase separation character and absorption performance were analyzed for solutions in different amine to physical solvent concentration ratios, and the results showed that increasing the concentration of the physical solvent within certain range benefits to raising cyclic absorption capacity and reducing the energy penalty. At last, the sensible heat and vaporization heat of two biphasic solvents were estimated with a flash module of Aspen Plus, which showed less energy penalty than that of 30 wt% MEA.
研究领域:
化学工程
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环境科学
✓ 已验证
DOI
高影响因子
Batteries-Basel
·
2025
·Vol. 11
·期 3
·100
·
IF 4.8
Man Fang,Yutong Yao,Chao Pang,Xiehang Chen,Yutao Wei,Fan Zhou,Xiaokun Zhang,Yong Xiang
Doping lithium cobalt oxide (LiCoO2) cathode materials is an effective strategy for mitigating the detrimental phase transitions that occur at high voltages. A deep understanding of the relationships between cycle capacity and the design elements of doped LiCoO2is critical for overcoming the existing research limitations. The key lies in constructing a robust and interpretable mapping model between data and performance. In this study, we analyze the correlations between the features and cycle capacity of 158 different element-doped LiCoO2systems by using five advanced machine learning algorithms. First, we conducted a feature election to reduce model overfitting through a combined approach of mechanistic analysis and Pearson correlation analysis. Second, the experimental results revealed that RF and XGBoost are the two best-performing models for data fitting. Specifically, the RF and XGBoost models have the highest fitting performance for IC and EC prediction, with R2values of 0.8882 and 0.8318, respectively. Experiments focusing on ion electronegativity design verified the effectiveness of the optimal combined model. We demonstrate the benefits of machine learning models in uncovering the core elements of complex doped LiCoO2formulation design. Furthermore, these combined models can be employed to search for materials with superior electrochemical performance and processing conditions. In the future, we aim to develop more accurate and efficient machine learning algorithms to explore the microscopic mechanisms affecting doped layered oxide cathode material design, thereby establishing new paradigms for the research of high-performance cathode materials for lithium batteries.
研究领域:
材料科学
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电化学
·
数据科学
✓ 已验证
产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2022
·
IF 9.136
Ge Gao,Wufeng Jiang,Xiaoshan Li,Zhenghong Zhao,Cong Jiang,Cong Luo,Fan Wu,Liqi Zhang
Energy consumption is one of the crucial factors in determining the suitability of the chemical absorbents for capturing carbon dioxide (CO 2 ). Polyamines have attracted increasing attention in recent years because of the existence of several amino functional groups that could effectively capture CO 2 in their molecules. In this work, the structures of seven polyamines with excellent CO 2 capture performance were investigated in relation to reaction rate and the CO 2 absorption heat. A high-precision microcalorimeter was applied to analyze the absorption heat of CO 2 directly, and a parameter defined as the CO 2 quasi-cycle capacity was employed to assess the cyclic capture capacity of CO 2 , absorption rate, and desorption rate. Experimental results revealed that for the selected polyamines, the increase in the ratio of the secondary amino functional group to the primary-one in the molecule leads to a decrease in the CO 2 absorption heat and an increase in the CO 2 cyclic capacity.The ΔH abs of the eight amines give out the order of HMDA (92.22 kJ/mol) > MAPA(90.91 kJ/mol) > AEEA (87.62 kJ/mol) > MEA (86.36 kJ/mol) > TEPA (82.95 k/mol) > AEP (82.36 kJ/mol) > 2MPRZ (77.08 kJ/mol) > PZ (74.41 kJ/mol). The CO 2 quasi-cycle capacity of 2MPZR is about twice that of the MEA. In addition, 2MPRZ was found to be an absorbent with phase change potential. The effective phase change solvent system, 2MPRZ + Triethylene glycol monobutyl ether (TGBE) + H 2 O, was developed in this work. Compared to the 5 M MEA aqueous solution, its sensible heat was reduced by 56.3 %, indicating that 2MPRZ is a promising absorbent.
研究领域:
化学工程
·
环境科学
✓ 已验证
DOI
高影响因子
Carbon Capture Science & Technology
·
2024
·
IF 10.4
Wei Wei,Donghui Li,Xiaoxuan Yan,Xujia Mu,Zhiyi Li,Zhijun Liu
In recent years, research into biphasic solvents has become an important direction more efficient control of CO 2 emissions. However, most biphasic absorbents still face challenges such as low cyclic capacity and high viscosity of the rich phase. To develop a novel solvent with enhanced cyclic capacity and reduced regeneration energy consumption, a biphasic solvent consisting of DETA/Isobutanol/H 2 O was proposed. The results demonstrate excellent absorption and desorption performance of the DETA/Isobutanol/H 2 O biphasic solvent, with an absorption capacity ranging from 1.13 to 1.35 mol/mol and a cyclic capacity ranging from 0.61 to 0.84 mol/mol. After conducting 5 times absorption-desorption experiments, the cyclic capacity of DETA/Isobutanol/H 2 O biphasic solvent remained at 0.8 mol/mol. The estimated energy consumption for regeneration, under lean phase load, was calculated to be 2.42 GJ/t CO 2 , which was 42.24 % lower than that of 30wt% MEA aqueous solution (4.19 GJ/t CO 2 ). The DETA/Isobutanol/H 2 O solution exhibits promising potential in terms of absorption-desorption performance and regenerative energy consumption, making it an exceptional CO 2 absorbent.
研究领域:
环境科学
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化学工程
·
碳捕集与封存
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2023
·
IF 15.1
Shumin Hong,Ting Li,Min Xiao,Teerawat Sema,Hongxia Gao,Zhiwu Liang
The concept of phase change absorbents has been widely studied as a novel and low-energy consumption option for CO 2 capture. This work screened diethylene glycol dimethyl ether (DGM) from 17 physical solvent species as a better phase change accelerator for absorbents of 2-(methylamino)ethanol (MAE)-physical solvent-H 2 O. Then, the optimized mass ratio of 30:49:21 for MAE-DGM-H 2 O solution was investigated with phase change behaviors, CO 2 absorption–desorption performance, cyclic capacity, and energy consumption. The experimental results showed that the cyclic CO 2 capacity reached 1.32 mol/L and the CO 2 -rich phase made up only 50.4 % of the total volume for the 30 wt%MAE-49 wt%DGM-21 wt%H 2 O, as well as its regenerative energy consumption was 40 % lower than that of 30 wt% monoethanolamine (MEA) solution. Also, the viscosity and surface tension gap of the CO 2 -rich phase and CO 2 -lean phase for the optimized absorbent were studied. It was observed that those gaps increase with the increasing mass ratio of DGM. In addition, the possible phase change mechanism was proposed by using the dipole moment values of components calculated by Gaussian (B3LYP/6-31G) coupled with 13 C NMR spectra.
研究领域:
化学工程
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环境科学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2019
·
IF 4.561
Sehee Kang,Yongchul G. Chung,Jo Hong Kang,Hojun Song
In this study, dual amino group functionalized imidazolium amino acid ionic liquids (AAILs) were synthesized from imidazole , bromoalkylamine, and amino acids. 1-(3-aminopropyl)-3-(2-aminoethyl)imidazolium hydroxide ([Apaeim][OH]), 1-propyl-3-(2-aminoethyl)imidazolium hydroxide ([Paeim][OH]), and 1-ethyl-3-(2-aminoethyl)imidazolium hydroxide ([Eaeim][OH]) were synthesized in two-steps, while [Apaeim][amino acid], [Paeim][amino acid], and [Eaeim][amino acid] were synthesized in three-steps. The structures of the synthesized AAILs were confirmed by 1 H NMR analysis. Moreover, the CO 2 absorption mechanism of [Apaeim][OH] was confirmed by FT-IR and 13 C NMR analyses. Subsequently, CO 2 absorption-desorption tests were conducted under at 15 vol% CO 2 , 313 K and atmospheric pressure. The cation and anion effects on the ionic liquid absorbents were also investigated. Among the tested ionic liquid solutions, 30 wt% [Apaeim][OH] and 30 wt% 1-(3-aminopropyl)-3-(2-aminoethyl)imidazolium alaninate ([Apaeim][ala]) displayed the best performances. Thus, both presented CO 2 cyclic capacities 2.2-fold higher than that of the benchmark CO 2 absorbent 30 wt% monoethanolamine (MEA), while their viscosities were comparable to that of 30 wt% MEA. Notably, 30 wt% [Apaeim][ala] show great potential as a CO 2 absorbent due to its high CO 2 cyclic capacity and low viscosity.
研究领域:
化学工程
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
ENERGY & FUELS
·
2022
·
IF 4.654
Xianhang Jin,Enze Ren,Yun Yang
Nonaqueous absorbents for CO2 capture have attracted great attention in research institutes recently because of their many advantages, such as energy efficiency and noncorrosiveness. Novel nonaqueous single-phase and biphasic absorbents have been developed. In this work, to satisfy application requirements, the effects of solvents on nonaqueous absorbents’ phase separation behavior and CO2 solubility were clarified. The nonaqueous absorbents comprising MEA and 26 kinds of solvents were investigated. The phase separation behavior after CO2 absorption, CO2 solubility, and CO2 cyclic capacity of nonaqueous absorbents were studied. The solvent polarity parameter ET(30) and the dielectric constant of solvents mainly affected the phase separation behavior and CO2 solubility of nonaqueous absorbents, respectively. The nonaqueous absorbent comprising a solvent with an ET(30) value larger than 50 kcal/mol maintained a single phase after CO2 absorption. The CO2 solubility of nonaqueous absorbents had a good positive relation with the dielectric constant of solvents. Moreover, nonaqueous absorbents comprising ethylene glycol monoethyl ether exhibited the optimal CO2 cyclic capacity and heat of CO2 absorption. In comparison to 30% MEA/H2O, the CO2 cyclic capacity of the nonaqueous absorbent increased by 51.8%, and the heat of CO2 absorption decreased by 35.4%.
研究领域:
化学工程
·
环境科学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
Advanced Science
·
2025
·
IF 14.1
Feng Xie,Xuehua Shen,Han Lin,Junyang Lu,Feng Yan,Zuotai Zhang
Piperazine (PZ) is a promising alternative to monoethanolamine (MEA) for CO 2 capture, yet its low desorption efficiency restricts practical implementation. Here, a density functional theory (DFT)-driven framework is developed to identify PZ derivatives with improved performance. By integrating electronic descriptors—including molecular electrostatic potential (ESP) for absorption capacity, ESP at hydrogen nuclei (ESP_H) for desorption efficiency, activation barrier (ΔG‡) and Gibbs free energy change (ΔG) for absorption rate, and interaction-region indicator (IRI) for energy consumption—the key performance of the derivatives is predicted. Experimental validation confirms the framework's predictive accuracy, with 2,6-dimethylpiperazine (26DMPZ) identified as an optimal candidate. It demonstrates a desorption amount of 0.72 mol mol −1 -amine (≈80% higher than PZ), due to more negative ESP_H values. Furthermore, it shows 31% lower energy consumption compared to MEA, attributed to unstable dicarbamate formation. Spectroscopic analyses and solvation free energy calculations reveal that the low-solubility of this dicarbamate salt further enhances CO 2 capture performance without requiring organic solvents. Notably, the system retains 98.4% of its initial cyclic capacity over 10 rapid absorption–desorption cycles, indicating the industrial application potential. This study establishes an electronic-structure-guided screening strategy for amine solvents, highlighting precipitation-driven phase separation as a tunable mechanism to optimize CO 2 capture performance.
研究领域:
物理化学
·
环境科学
·
能源工程
·
材料科学
·
计算化学
·
化工过程
✓ 已验证
产品关联
DOI
PubMed
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2022
·
IF 9.136
Ge Gao,Xiaoshan Li,Wufeng Jiang,Zhenghong Zhao,Yongqing Xu,Fan Wu,Cong Luo,Liqi Zhang
Reaction rate and energy consumption are important factors that determine whether the chemical absorbent is suitable for capturing carbon dioxide (CO 2 ). In this work, a high-precision microcalorimetry instead of the traditional estimation method based on the Gibbs-Helmholtz equation was used to directly measure the CO 2 absorption heat of six amino acid salt absorbents (potassium taurinate (PT), potassium sarcosinate (PS), potassium L-Prolinate (PL-P), potassium β-Alaninate (Pβ-A), potassium L-Threonine (PL-T), and potassium glycinate (PG)) and the sensible heat of their solutions. In addition, the absorption rate, desorption rate, absorption time, desorption time, and CO 2 loading of the absorbents were studied and were integrated into a parameter called the CO 2 quasi-cycle capacity to evaluate the reaction rate. Based on thermodynamic data and CO 2 quasi-cycle capacity, the absorbent screening method was improved in this work, and PS was identified as a promising absorbent by this method. The CO 2 quasi-cycle capacity of the PS solution was similar to that of MEA. In addition, PS solution has the lowest CO 2 absorption heat (-75.79 kJ/mol CO 2 ) and the lowest sensible heat which were 14.1% and 23.2% lower than those of MEA solution.
研究领域:
化学工程
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
ENERGY & FUELS
·
2017
·
IF 3.091
Hongxia Gao,Zeyang Wu,Helei Liu,Xiao Luo,Zhiwu Liang
The absorption/desorption performance of carbon dioxide (CO2) in aqueous 5 M monoethanolamine (MEA) solutions in the presence of various solution regeneration promoters was comprehensively investigated using a multiple rapid screening method. The promoters considered were N-methyldiethanolamine (MDEA), N,N-dimethylethanolamine (DMEA), N,N-diethylethanolamine (DEEA), 1-dimethylamino-2-propanol (1DMA2P), 1-diethylamino-2-propanol (1DEA2P), 3-dimethylamino-1-propanol (3DMA1P), 2-(dimethylamino)-2-methyl-1-propanol (2DMA2M1P), triethanolamine (TEA), 3-(dimethylamino)-1,2-propanediol (3DMA-1,2-PD), and 3-(diethylamino)-1,2-propanediol (3DEA-1,2-PD). The molar concentration of these promoters added into 5 M MEA was set to 1 mol/L. At the atmospheric pressure, the absorption and stripping experiments were carried out at 313.15 and 353.15 K, respectively. Especially, the CO2 partial pressure was controlled at constant 15 kPa for absorption experiments. In addition, the equilibrium solubility of CO2 was also determined in order to evaluate the driving force of each amine system. The results showed that the highest CO2 equilibrium solubility of 0.5548 mol CO2/mol amine was obtained by MEA/1DEA2P, whereas both the fastest absorption and regeneration rates were achieved for aqueous blended MEA/1DMA2P solution which made MEA/1DMA2P to exhibit the highest CO2 cyclic capacity of 1.6710 mol CO2/L.
研究领域:
化学工程
·
环境科学
·
能源技术
·
物理化学
✓ 已验证
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2022
·
IF 9.136
Baoqiang Wang,Xiaochun Chen,Guangren Yu
A new class of biphasic system composed of tetraethylene pentaamine (TEPA), organic solvents and water is developed for capturing CO 2 , among which TEPA/Diethyleneglycolmonomethylether (DGME)/Water shows the best performance. When the TEPA/DGME/Water with mass ratio 3:3:4 is at 25 °C and atmospheric pressure, CO 2 absorption capacity reaches 1.89 mol CO 2 /mol amine (2.99 mol CO 2 /kg) after 50 mins, in which CO 2 rich phase accounts for 73%. The CO 2 desorption efficiency reaches about 97% at 130 °C and the CO 2 desorption energy consumption is 53.2%, 27.4% and 3% lower than that of MEA, TEEA/DEEA/Water and 0.5D1.5A3P respectively. The CO 2 cycle capacity is approximately 60% higher than that of traditional monoethanolamine (MEA)/1-propanol/Water biphasic absorbent. Compared with previously reported biphasic system, even with similar absorbent masses, the absorption equilibrium time is significantly shortened with competitive absorption capacity. This is a class of promising absorbent for capturing CO 2 .
研究领域:
化学工程
·
环境科学
·
能源技术
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）