JOURNAL OF MOLECULAR LIQUIDS
·
2021
·
IF 6.165
Mingcheng Li,Chunying Zhu,Taotao Fu,Youguang Ma
In this study, the densities and viscosities of the binary solutions 1-dimethylamino-2-propanol (1DMA2P) + H 2 O, benzylamine (BZA) + H 2 O, 1DMA2P + BZA and ternary solution 1DMA2P + BZA + H 2 O were measured at T = (298.15−333.15) K. Furthermore, the volumetric and the viscometric properties including the excess molar volume, partial molar volume, apparent molar volume, limiting apparent molar volume, viscosity deviation, excess Gibbs energy of activation for viscous fluid and Grunberg-Nissan interaction parameters were obtained in terms of experimental data, respectively. The excess molar volumes of binary and ternary solutions were fitted by the Redlich-Kister equation and Cibulka equation, besides, the viscosity and viscosity deviation of binary solution were correlated by using the Grunberg-Nissan equation and Redlich-Kister equation. Moreover, the intermolecular interactions were analyzed based on the volumetric and viscometric properties of solutions.
研究领域:
物理化学
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热力学
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DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2021
·
IF 3.178
Xiaoqin Shi,Yu Dong,Shufeng Shen
Nonaqueous blends of alkanolamines with 2-alkoxyethanols have recently attracted much attention for an energy-efficient CO 2 capture process. In this work, densities and viscosities of partially CO 2 -loaded mixtures of 2- (methylamino)ethanol (MAE) with 2-methoxyethanol (EGME), 2-ethoxyethanol (EGEE) and 2-butoxyethanol (EGBE) were measured at atmospheric pressure over the temperature range of (293.15 to 353.15) K with amine mass fractions of (0.10, 0.30 0.40 and 0.50) containing various CO 2 loading. It was observed that both densities and viscosities of the carbonated solutions showed noticeable changes as increasing CO 2 loading, amine concentration and temperature. Dimensionless parameters from the CO 2 -free and CO 2 -loaded property data were fitted by proposed correlations. The calculated values of density and viscosity from the correlation models matched well with the experimental results of MAE + CO 2 + 2-alkoxyethanols, with AARDs within 0.28% and 2.20% for density and viscosity respectively. These results are useful to evaluate the mass transfer and hydrodynamic performance in a CO 2 capture process using these nonaqueous absorbents.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
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2024
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IF 5.9
Hailan Wang,Fu Gu,Xiulian Ren,Qifeng Wei
The utilization of algal ingredients for producing functional products has garnered significant attention. Furthermore, increasing the yield of polysaccharides has become a crucial point. In this work, the efficiencies of two-step extraction and co-extraction were compared, and dimethylamine solution was selected as the optimal extractant. Under the optimum extraction conditions (temperature of 75.00 °C, time of 3.15 h, liquid-solid ratio of 35.00 mL/g) determined by response surface methodology, the yield of alginate was 16.05 ± 0.37 % and the yield of fucoidan was 2.85 ± 0.08 %. Kinetic analysis of the extraction process was conducted using the shrinking core model, elucidating the rate and mechanism of product release. Additionally, it was demonstrated that the dimethylamine solution could be recycled for five times with stable extraction performance. The extraction mechanism was further analyzed by quantum chemical calculations, providing theoretical support for the extraction process of the products. The above results demonstrated that the higher yield of products extracted with dimethylamine was confirmed through experimental and quantum chemical analysis. Overall, this study provides a new perspective on the extraction of alginate and fucoidan from seaweed.
研究领域:
海洋生物学
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生物化学
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DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2024
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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.
研究领域:
化学工程
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环境科学
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数据科学
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DOI
高影响因子
Crystals
·
2023
·Vol. 13
·期 4
·607
·
IF 2.7
Dongyang Wang,Qiang Wang,Zongqiong Lin,Tiantian Pang,Ning Ding
In this study, according to the acquired polydopamine deposition rates, polydopamine films with equal thickness were prepared under different conditions on SiO2substrates. Subsequently, we investigated the influence of dopamine solution pH and concentration on the formation of surface aggregates of the deposited polydopamine films. Assumptions were made to explain how pH and concentration execute their effects. Based on the optimized parameters, a continuous and smooth polydopamine film with a thickness of about 14 nm and a roughness of 1.76 nm was fabricated on a silicon dioxide substrate, through the deposition for 20 minutes in a dopamine solution with a concentration of 1.5 mg/mL and a pH of 8.2. The prepared polydopamine film was then employed as a precursor and subjected to a high-temperature process for the carbonization and graphitization of the film. Raman spectroscopy analysis indicated that the resulting graphene-like film had fewer structural defects in comparison with previous works and the results of XPS indicated that most of the carbon atoms were bound into the cross-linked honeycomb lattice structure. The prepared graphene-like material also exhibited high electrical conductivity and satisfying mechanical elasticity.Keywords:polydopamine;pH;concentration of dopamine solution;graphene-like film
研究领域:
材料科学
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化学
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DOI
高影响因子
ELECTROCHIMICA ACTA
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2021
·
IF 6.901
Liang Li,Junhao Yang,Liuqiang Li,Yuanxing Huang,Junkai Zhao
The application of electrocatalytic reduction of CO 2 is limited by the low solubility of CO 2 in water, separation of products, energy conversion efficiency and insufficient catalyst performance. In this research, enhanced CO 2 reduction was observed in alcohol amine solution by using layered double hydroxides (LDHs) intercalated with gold or copper. Copper was found to be distributed more evenly and thus had a larger electrochemical active surface area (ECSA) through the pre-intercalation of EDTA when compared with the direct ion-exchange of [AuCl 4 ] − with LDHs. In 0.5 M KHCO 3 solutions, CO and H 2 was monitored for Au/MgAl-LDHs while additional products of CH 4 and HCOOH was measured by using Cu/MgAl-LDHs. In 1.0 M alcohol amine solutions, CO and H 2 were determined as the main products for both Au/MgAl-LDHs and Cu/MgAl-LDHs. Under all the test conditions hydrogen evolution reaction (HER) was enhanced towards negative potential, resulting in a higher Faraday's Efficiency (FE) for H 2 .
研究领域:
化学
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材料科学
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环境科学
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DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
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2024
·
IF 8.1
Haonan Liu,Francesco Barzagli,Li Luo,Xin Zhou,Jiaofei Geng,Chao’en Li,Min Xiao,Rui Zhang
The combination of primary and tertiary amines represents a promising approach to improve sorbent performance in CO 2 capture by enhancing absorption efficiency and reducing regeneration energy. This study focuses on investigating the absorption performance of binary mixtures of ethanolamine (MEA) and N,N-dimethylethanolamine (DMEA) at temperatures between 298–323 K and CO 2 partial pressures between 5–60 kPa. The species generated during the absorption were analyzed using 13 C NMR spectroscopy, to clarify the intricate role of MEA and DMEA in the capture process. A developed excess property model for MEA-DMEA, based on excess CO 2 loading, predicted equilibrium CO 2 solubility data with an average absolute relative deviation (AARD) of 1.6 %. Additionally, the machine learning models XGBoost, RBFNN, and SVR were applied, providing AARD values between 0.86 % and 1.28 %, demonstrating strong agreement between experimental and predicted outcomes. These comprehensive findings enhance our understanding of mixed amines’ mechanisms and practical applications, contributing to ongoing research development.
研究领域:
化学工程
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环境科学
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机器学习
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DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2019
·
IF 3.375
Sen Liu,Hao Ling,Juan Lv,Hongxia Gao,Yanqing Na,Zhiwu Liang
The sulfolane was, surprisingly, found to be a universal phase-splitting solvent in a serial of aqueous primary alkanolamine solution for CO2 removal; the reaction product of carbamate and hydrophilicity of amine can be the key factor for triggering phase change; also, the phase change can have a significant effect on CO2 capture performance. To comprehensively understand the effect of phase change on absorption, stripping, and phase separation performance, MEA sulfolane-based solution was chosen as a typical biphasic system for investigation. First, the experimental results revealed that the phase change can dramatically decrease the absorption rate and lead to less CO2 capacity in absorption processes. Second, the enriched MEA in separated solution can substantially decrease the energy consumption for CO2 stripping but exorbitant concentration of MEA can significantly reduce the CO2 removal efficiency in a quasicycle of absorption and desorption processes. Third, the phase separation rate of emulsion of MEA/sulfolane solution can be obviously improved by the increasing temperature, and fortunately, the increasing temperature had less effect on miscible solubility of MEA and sulfolane in two separated phases. Finally, on consideration of the absorption rate, energy consumption, and phase separation rate, a new technological process was proposed for CO2 capture using primary alkanolamine sulfolane-based solution to achieve the goal of relative high CO2 removal efficiency and energy saving.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
Nanoscale
·
2022
·Vol. 14
·期 31
·11210-11217
·
IF 8.307
Weijun Zhu,Zhuohan Lin,Xue Zhang,Wei Wang,Yan Li
Magic-size clusters (MSCs) are molecular materials with unique properties at the border between molecules and solids, providing important insights into the nanocrystal formation process. However, the synthesis of multicomponent alloy MSCs in a single-ensemble form remains challenging due to their tiny size and difficult doping control. Herein, for the first time, we successfully synthesized alloy ZnxCd13−xSe13 MSCs (x = 1–12) with a unique sharp absorption peak at 352 nm by cation exchange between Cd2+ ions and pre-synthesized (ZnSe)13 MSCs in a diamine solution at room temperature. The experimental results show that the use of diamines is crucial to the formation of stable ZnxCd13−xSe13 MSCs, which may be attributed to two amine groups that can coordinate to the surface of MSCs simultaneously. Limited by the robust interaction between diamine ligands and MSCs, the partial cation exchange results in the formation of alloy ZnxCd13−xSe13 MSCs. In contrast, complete cation exchange occurs in a monoamine solution, giving (CdSe)34 MSCs. Besides, a lower reaction temperature and a higher concentration of diamine favor the formation of ZnxCd13−xSe13 MSCs. Our study provides an important basis for further understanding of the transformation of MSCs and a new approach to the controllable synthesis of alloyed MSCs.
研究领域:
材料科学
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纳米技术
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化学
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DOI
PubMed
高影响因子
AICHE JOURNAL
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2022
·Vol. 68
·期 6
·e17628
·
IF 4.167
Wenchao Zheng,Qinlan Luo,Sen Liu,Nan Wang,Xiao Luo,Hongxia Gao,Zhiwu Liang
In order to establish an accurate kinetic model for the aqueous amine blends, monoethanolamine (MEA), 2-(ethylamino) ethanol (EAE), and 3-(diethylamino)-1-propanol (3DEA1P) have been chosen as a typical CO 2 absorption trisolvents. The reaction kinetics of aqueous amine blends with carbon dioxide have been investigated first combining experiments and molecular simulations. The stopped-flow technology has been used to obtain the observed reaction rate constant of the overall reactions over the temperature range of 293 to 313 K and at different amine concentrations. A theoretical kinetic model, based on the first-principles quantum-mechanical simulations, has been put forward to interpret the reactions between CO 2 and the aqueous trisolvent amine blends systems. The proposed model, based on the zwitterion mechanism and the base-catalyzed mechanism, shows good prediction with an acceptable absolute average deviation (AAD) of 6.32%, and has been found to be satisfactory in determining the kinetics of the involved complicated reactions.
研究领域:
化学工程
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环境科学
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DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2020
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IF 5.774
Daofan Ma,Chunying Zhu,Taotao Fu,Xigang Yuan,Youguang Ma
The gas-liquid two-phase flow and the mass transfer characteristics for CO 2 absorption into the binary amine mixture of monoethanolamine (MEA) and N,N-diethylethanolamine (DEEA) aqueous solution were investigated in T-junction microchannel reactor with a square cross-section. The effects of gas-liquid flow rate and absorbent concentration on bubble length, velocity and mass transfer coefficient were studied. Three flow regimes including slug-bubbly flow, slug flow and slug-annular flow were observed under experimental condition, and the gas-liquid two-phase flow pattern map was depicted. It is found that the transitions between three flow regimes depend primarily on the competition of forces exerted on bubble in the T-junction. The kinetics of CO 2 absorption into blended amine aqueous solutions was analyzed to understand the mass transfer enhancement mechanism of new hybrid solvent. Furthermore, the liquid-side overall mass transfer coefficient k L and the liquid-side overall volumetric mass transfer coefficient k L a were determined through processing experimental images recorded by a high-speed camera. The results show that k L a is in the range of (3.04–20.07) s −1 in this work, which is 2–3 orders of magnitude higher than that in the conventional equipment. The dimensionless Damköhler number ( Da ) and Peclet number ( Pe ) are introduced to correlate the liquid-side volumetric mass transfer coefficient, new correlation shows good prediction accuracy with the average deviation of 3.64%.
研究领域:
化学工程
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环境科学
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产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2022
·
IF 9.136
Dongfang Zhao,Shoulong Dong,Liju Bai,Dongyang Li,Helei Liu
The concentration profiles of all chemicals obtained in the Amine-CO 2 -H 2 O system based on the Vapor-liquid equilibrium (VLE) plots are essential for the analysis and understanding of the kinetics. This work aims at obtaining accurate and reliable VLE plots of 3DMA1P via both experimental and mathematical methods. VLE plots are essential for understanding the reaction process and mechanism of carbon dioxide absorption into amine solutions. The experiments were conducted over a concentration range of 1 ∼ 2 mol/L, temperature of 298 K, and CO 2 partial pressure of 15 kPa. Regarding the experimental method, 13 C NMR detection was performed to generate concentrations of Amine and AmineH + based on the protonation calibration equation. The results showed that the 13 C NMR method had little difference between the results of mass conservation calculation and charge conservation calculation under different CO 2 loading. Among the mathematical methods, the results obtained by the pH method involving charge conservation were quite different from those calculated by mass conservation, while the D-M model method strictly following the theoretical system satisfied both the mass and charge conservation. The distribution curves of the concentration of each species obtained by the three methods were compared. It was found that 13 C NMR and D-M model method could secure closer and more accurate results than the pH method. In conclusion, both the 13 C NMR method and the D-M model method plots are useful for obtaining accurate and reliable VLE plots for the 3DMA1P-CO 2 -H 2 O system, as well as for other monoamine and mixed amine systems.
研究领域:
化学工程
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环境科学
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产品关联
DOI
高影响因子
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