SEPARATION AND PURIFICATION TECHNOLOGY
·
2024
·
IF 8.1
Bin Liu,Yanan Yu,Zijian Liu,Zhe Cui,Wende Tian
In this study, a quantitative structure–property relationship (QSPR) model has been designed based on machine learning (ML) to offer a new method to accurately predict carbon dioxide (CO 2 ) solubility in aqueous amine solutions. Molecular descriptors are used to denote representative features of the amine molecular structure supplemented with amine solution concentration, CO 2 partial pressure, and temperature as inputs to the model. The coefficient of determination ( R 2 ) of the well-trained ML model reaches 0.971, and the average absolute deviation (AAD) of independent experimental validation is 4.785 %, effectively demonstrating the model’s reliability and generalization performance. Finally, SHapley Additive exPlanations (SHAP) is adopted to reveal the contribution of different features to the model predictions, making the model more transparent and interpretable. Overall work provides a novel, low-cost, efficient method to predict equilibrium CO 2 solubility in aqueous amine solution and offers a new perspective in developing advanced amine for CO 2 capture.
✓ 已验证
产品关联
DOI
高影响因子
AICHE JOURNAL
·
2024
·
IF 3.5
Xiaomin Liu,Jiahui Chen,Yuxin Qiu,Kunchi Xie,Jie Cheng,Xinze You,Guzhong Chen,Zhen Song,Zhiwen Qi
Although eutectic solvents (ESs) have garnered significant attention as promising solvents for carbon dioxide (CO 2 ) capture, systematic studies on discovering novel ESs linking machine learning (ML) and experimental validation are scarce. For the reliable prediction of CO 2 -in-ES solubility, ensemble ML modeling based on random forest and extreme gradient boosting with inputs of COSMO-RS derived molecular descriptors is rigorously performed, for which an extensive experimental CO 2 -in-ES solubility database of 2438 data points in 162 ESs involving 106 ES systems are collected. With the best-performing model obtained, the CO 2 solubilities of 4735 novel combinations of ES components are first predicted for estimating their potential in CO 2 capture. The top-ranked candidate combinations are subsequently evaluated by examining the environmental health and safety properties of individual components and assessing the potential operating window based on solid–liquid equilibrium (SLE) prediction. Three most promising ES systems are finally retained, which are thoroughly studied by SLE and CO 2 absorption experiments.
✓ 已验证
产品关联
DOI
高影响因子
ChemistrySelect
·
2024
·Vol. 9
·期 40
·e202400345
·
IF 1.9
Bo Pei,Dongdong Chu,Jiajia Huang
Graphical Metal ions modified azo-linked porous polymers for CO 2 capture through coordination adsorption with high adsorption capacity and excellent cycling stability. Herein, a novel CO 2 adsorption materials (ALP−M) with controllable adsorption heat were prepared by loading metal ions on azo-linked porous polymer through coordination interaction. The as-prepared ALP−M showed excellent CO 2 capture performance with a column adsorption capacity 4.99 mmol g −1 at 273 K (1 bar) and 98 % capacity retention rate after 500 adsorption and desorption cycles. Porous polymer show great potential for CO 2 capture owing to its high specific surface area, adjustable porous structure and chemical structure. Herein, a novel CO 2 adsorption materials ALP−M (M: Cu 2+ , Mg 2+ , Ni 2+ ) were prepared through coordination between azo-linked porous polymer (ALP) synthesized by oxidative coupling polymerization of tris(4-aminophenyl)amine and metal ions. The structures and morphology of as-prepared materials were demonstrated by FT-IR, XRD, XPS, BET and SEM, the CO 2 capture performance and mechanism of ALP−M were also investigated through static adsorption and column adsorption experments, the results show that metal ions can enhance the CO 2 adsorption and desorption performance of ALPs by coordination adsorption. ALP−M showed a highest static CO 2 adsorption capacity of 2.67 mmol g −1 at 273 K (1 bar), which is 35.5 % higher than that of ALP. The metal ions served as Lewis acid sites can enhance the affinity of adsorbent for CO 2 . In column adsorption experiments, the ALP−M showed a higher saturated adsorption capacity 4.99 mmol g −1 at 273 K (1 bar) than that of static adsorption, and excellent cycling stability after 500 adsorption and desorption cycles, the adsorption capacity retention rate of ALP−M for CO 2 can reach 98 %.
✓ 已验证
产品关联
DOI
高影响因子
Gels
·
2024
·Vol. 10
·期 7
·449
·
IF 5
Huipeng Wang,Changhua Yang,Yongwei Zhang,Chen Wang
In order to solve the problem of gas channeling during CO2flooding in low-permeability reservoirs, a novel CO2responsive gel channeling system was prepared by using carrageenan, branched polyethylene imide and ethylenediamine under laboratory conditions. Based on the Box–Behnken response surface design method, the optimal synthesis concentration of the system was 0.5 wt% carrageenan, 2.5 wt% branchized polyethylenimide and 6.5 wt% ethylenediamine. The micromorphology of the system before and after response was characterized by scanning electron microscopy. The rheology and dehydration rate were tested under different conditions. The channeling performance and enhanced oil recovery effect of the gel system were simulated by a core displacement experiment. The experimental results show that the internal structure of the system changes from a disordered, smooth and loosely separated lamellae structure to a more uniform, complete and orderly three-dimensional network structure after exposure to CO2. The viscosity of the system was similar to aqueous solution before contact with CO2and showed viscoelastic solid properties after contact with CO2. The experiment employing dehydration rates at different temperatures showed that the internal structure of the gel would change at a high temperature, but the gel system had a certain self-healing ability. The results of the displacement experiment show that the plugging rate of the gel system is stable at 85.32% after CO2contact, and the recovery rate is increased by 17.06%, which provides an important guide for the development of low-permeability reservoirs.
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF SURFACTANTS AND DETERGENTS
·
2025
·
IF 1.8
Sihang Ma,Yuanyuan Wang,Qingfeng Hou,Yifeng Liu,Xiaoling Yi,Zhuoyan Zhu,Zhidong Chang
In the petroleum and petrochemical industries, oil sludge is a common contaminant that causes environmental pollution and resource wastage. Currently, recovering crude oil from oily sludge presents a significant challenge during processing. In this study, an amidinium bicarbonate-based CO 2 -responsive microemulsion was developed to effectively treat sludge and recover crude oil. The microemulsion system demonstrates a strong capability for oil solubilization. After the microemulsion treatment, the residual oil contents in the sludge can be reduced to as low as 2.93% (ME-1, n-butanol as cosurfactant) and 1.44% (ME-2, n-hexanol as cosurfactant). Complete oil/water phase separation can be achieved by introducing N 2 at 65°C.
✓ 已验证
产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2024
·
IF 8.1
Yingxuan Wen,Fangfang Zhang,Jingru Dou,Shougui Wang,Fei Gao,Falong Shan,Jipeng Dong,Guanghui Chen
The abundant triazine rings with the good affinity for CO 2 molecules in covalent triazine frameworks (CTFs) can capture and activate CO 2 molecules, making CTFs a potential candidate for CO 2 cycloaddition reaction. However, due to the single active site, the realization of high catalytic performance commonly requires the assistance of cocatalysts or harsh reaction conditions. In this study, several novel ionic covalent triazine frameworks (MCTFs, BCTFs and YCTFs) multifunctional heterogeneous catalysts were synthesized for CO 2 cycloaddition reactions. The prepared CTFs catalysts have outstanding pore structure and uniformly distributed active sites (N Lewis basic sites in triazine ring and Cl – nucleophilic sites). The optimal catalyst MCTF-10 has good CO 2 enrichment capacity and high adsorption selectivity. In addition, the catalyst shows an outstanding catalytic performance for the coupling reaction of CO 2 and propylene oxide, with 96 % of yield and 99 % of selectivity for the product under metal-, solvent- and cocatalyst-free parameters (110 °C, initial CO 2 pressure 1 MPa, 4 h). Even under diluted CO 2 concentration (15 % CO 2 , 85 % N 2 ) and mild conditions (80 °C, 0.1 MPa, 24 h), the synthetized CTFs exhibits an outstanding catalytic activity. The excellent catalytic performance, along with the good cycling stability and broad applicability of epoxides, make it a competitive catalyst for catalyzing the CO 2 cycloaddition reaction.
✓ 已验证
产品关联
DOI
高影响因子
Nature Synthesis
·
2024
·Vol. 3
·期 7
·891-902
·
IF 0
Cai Yanming,Yang Ruixin,Fu Jiaju,Li Zhe,Xie Liangyiqun,Li Kai,Chang Yu-Chung,Ding Shichao,Lyu Zhaoyuan,Zhang Jian-Rong,Zhu Jun-Jie,Lin Yuehe,Zhu Wenlei
The selective one-step CO 2 electroreduction reaction (CO 2 RR) to acetate and propanol has garnered intense interest. Here we report the design of self-pressurizing nanoscale capsule catalysts for the CO 2 RR. A high-pressure CO intermediate environment is created around copper catalysts by a permselective enclosure. Microkinetic modelling, 13 CO 2 / 12 CO co-feed experiments and in situ Raman spectroscopy confirm that a unique CO–CO 2 coupling path is involved, which is only initiated at high CO intermediate pressure. This pathway benefits acetate production due to the kinetic and energetic advantages of COCO 2 *. The acetate Faradaic efficiency is 38.5 ± 2.2% (8 times higher than that achieved without enclosure) and the acetate partial current density is 328 ± 19 mA cm −2 , which surpasses the performance of previous CO 2 RR catalysts. In situ investigation indicates that the CO pressure inside the nanoscale capsule catalysts can reach 8 ± 3 bar. Furthermore, self-pressurizing nanoscale capsule catalysts with a CuI-derived core can reduce CO 2 to propanol with a Faradaic efficiency of 25.7 ± 1.2% and a conversion rate of 155 ± 3 mA cm −2 .
✓ 已验证
产品关联
DOI
Journal of Materials Chemistry A
·
2025
·
IF 9.5
Ashfaq Ahamd,Chaoran Zhang,Yichuan Gu,Qu Jiang,Ziyang Sheng,Ruohan Feng,Sihong Wang,Haoyue Zhang,Qianqing Xu,Zijian Yuan,Fang Song
Ordered mesoporous materials offer significant advantages in reducing energy barriers, tuning intrinsic reaction pathways, and suppressing undesirable side reactions in electrocatalytic CO2 reduction reactions (CO2RR). Here, we present a straightforward method for the direct electrodeposition of ordered mesoporous CO2RR catalysts on a carbon-based porous transport layer, utilizing lyotropic liquid crystals (LLCs) as templates. The versatility of this method was demonstrated with tin-, bismuth-, and indium-based catalysts, all exhibiting pore sizes on the order of several nanometers. These ordered mesoporous catalysts efficiently and selectively drive CO2RR toward the value-added product of formate. They achieve partial current densities that are 3 to 8 times higher than those of disordered mesoporous reference samples, with a faradaic efficiency (FE) of up to 93% at an optimal potential of −0.9 V vs. RHE. In a flow cell configuration, Sn-based catalysts deliver a current density of ∼200 mA cm−2 over 22 hours at a potential of only −0.65 V vs. RHE. Spectroscopic and electrochemical analyses suggest that the high performance can be attributed to the exclusive exposure of active sites for the formate, improved mass transport, and modulated local microenvironments. Our work demonstrates a simple yet effective method for the direct deposition of efficient and selective catalysts onto electrodes. The insights gained from the underlying mechanisms provide valuable guidance for the design of high-performance CO2RR electrocatalysts.
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2024
·
IF 5.3
Jing Fan,Xin Zhang,Nan He,Fenhong Song,Xiwu Zhang
Due to the advantages of deep eutectic solvents (DESs), such as good CO 2 absorption performance, excellent biodegradability, low cost, and simple synthesis, attention has been drawn to selecting DESs with high efficiency for capturing CO 2 in a green and environmentally compatible context. In the present study, acetamide as the hydrogen bond acceptor (HBA) and diethylene glycol, 1,2-propanediol, and 1,3-propanediol as the hydrogen bond donors (HBD) for the synthesis of DESs. First, the density and viscosity of these prepared DESs were measured under standard ambient pressure and at temperatures ranging between 293 K and 343 K. Subsequently, the CO 2 solubility in DESs was ascertained by the isovolumetric saturation experimental method. The results indicated that all synthesized DESs exhibited physical absorption of CO 2 and the diethylene glycol-based DESs had the highest dissolvability for CO 2 . For the DES with diethylene glycol and 1,2-propanediol as HBD, the CO 2 solubility increased as the molar ratio of HBD decreased. On the contrary, the amount of CO 2 adsorbed by 1,3-propanediol-based DES increased with increasing 1,3-propanediol content. The semi-empirical Jou and Mather model allows for an efficient correlation to be made among experimentally determined CO 2 solubilities, temperatures, and the CO 2 partial pressures. Comparing the deviations between the experimental and fitted values, the average relative deviation is small. By estimating the Henry constants and Manuscript File Click here to view linked References comparing them with the literature, it was demonstrated that the synthesized DESs are competitive in absorbing CO 2 .
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF POLYMER SCIENCE
·
2024
·
IF 3.9
Xin Luo,Zhuqing Wang,Mengxia Yan,Jianhui Xin,Yongqi Yang,Longpo Zheng,Haijun Zhang
CO 2 -responsive based separation membranes are attractive in the field of membrane separation, not only for their ability to modulate the pore size of the membrane in response to CO 2 stimulation, but also for their ability to facilitate the removal of contaminants from the membrane surface. However, the introduction of CO 2 -responsive polymers by simple blending often results in membranes that are not responsive enough to last. In this study, we synthesized a hooked triblock copolymer and used it as an additive to prepare CO 2 -responsive PVDF membranes. The modified membrane combines the advantages of the PVDF material with the CO 2 response of the triblock copolymer. It not only has good CO 2 responsiveness, but also removes organic contaminants from the membrane surface well. The water flux of the hybrid membranes is 4 to 11 times higher than that of pure PVDF membranes, indicating that the triblock copolymer also has some porogenic ability. Surprisingly, the static contact angle on the membrane surface increased from 67° to 86° with the increase of the triblock copolymer content in the PVDF membrane. This suggests that modified PVDF membranes have some potential in the field of switchable oil–water separation. Graphical
✓ 已验证
产品关联
DOI
高影响因子
ACS Applied Polymer Materials
·
2024
·
IF 4.4
Shangzhong Zhang,Lifeng Yan
Direct conversion of CO2 to polymers, such as polyurea, is an effective approach for CO2 capture and utilization. However, traditional methods involving CO2 and diamine polymerization require high pressures and temperatures (>5 MPa, ∼180 °C) and result in low molecular weight polyurea. A method has been developed to synthesize polyurea directly from CO2 at mild temperature and pressure (0.1–0.5 MPa, 15–90 °C) in a one-step reaction using organic superbases as both catalysts and dehydrants with the formation of DBU-H2O. This process allows for fast polymerization (10–30 min) and yields high molecular weight polyurea (>106 g/mol). The tensile strength of the as-prepared polyurea film reaches 13.5 MPa, which indicates excellent mechanical properties.
✓ 已验证
产品关联
DOI
高影响因子
Catalysts
·
2024
·Vol. 14
·期 11
·756
·
IF 3.8
Xuekai Shan,Guolin Zhang,Ying Zhang,Shuobo Zhang,Fang Guo,Qi Xu
Selective CO2hydrogenation faces significant technical challenges, although many efforts have been made in this regard. Herein, a Ni-doped In2O3catalyst supported by g-C3N4was prepared using the co-precipitation method, and its composition, morphology, specific surface area, and band gap were characterized using TEM, XPS, BET, XRD, CO2-TPD, H2-TPR, UV-Vis, etc. The catalytic hydrogenation reduction of CO2to produce methanol was tested. Under low-photothermal conditions (1.0 MPa), the hydrogenation of carbon dioxide to methanol is stable, effective, and highly selective, with a spatiotemporal yield of 86.0 gMeOHh−1kgcat−1, which is 30.9% higher than that of Ni-In2O3without g-C3N4loading under the same conditions.
✓ 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）