JOURNAL OF POROUS MATERIALS
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2021
·Vol. 28
·期 6
·1737-1747
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IF 2.496
Jiang Haoxi,Zhao Yingying,Lin Jing,Chen Yifei,Wang Sheng
Highly dispersed palladium nanoparticles (NPs) supported on UiO-66 as catalyst for CO 2 methanation were prepared by supercritical fluid deposition (SFD). As a result, the most suitable Pd precursor salt and co-solvent are Na 2 PdCl 4 and ethanol/DMF, respectively. The best SFD process condition to deposit the Pd precursor on UiO-66 is 40 °C, 10 MPa and 2 h. Under the above condition, 4% Pd/UiO-66 exhibits the highest activity with 53% of CO 2 conversion and 95% of CH 4 selectivity while the turnover frequency (TOF) value is 3669.4 h −1 . The catalysts were characterized by XRD, BET, TEM, XPS, TGA, CO-DRIFTS and ICP-OES to investigate the structure–activity relationship. The 4% Pd/UiO-66 with the average size of 2.2 nm of Pd prepared in assistance of supercritical fluid behaved the similar activity as the 6%Pd/UiO-66 with average size of 9.7 nm of Pd prepared by sol–gel method. It is showed prospect of technique for reducing noble metal loading resulting from high dispersion effect.
研究领域:
催化
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材料科学
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化学工程
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环境科学
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DOI
高影响因子
MICROCHEMICAL JOURNAL
·
2026
·
IF 5.2
Kai Hu,Wuliji Hasi,Guoqiang Fang,Siqingaowa Han
Cinnabar, with low water solubility and poor oral absorption, poses challenges in toxicity assessment. Relying solely on total mercury leads to overestimation, making detection of soluble Hg 2+ essential. This study presents a surface-enhanced Raman scattering (SERS) strategy using Au concave nanocubes (Au CNC) modified with 3-mercaptopropionic acid (3-MPA) and 4-mercaptopyridine (4-MPY), combined with a data-augmented convolutional neural network-partial least squares regression (CNN-PLS) model, for quantifying soluble Hg 2+ in cinnabar and its preparations. 3-MPA binds Hg 2+ , inducing Au CNC aggregation and enhances the SERS signal, while 4-MPY improves sensitivity. To overcome insufficient data in practical, data augmentation was used to expand the SERS dataset, and the performance of CNN, PLS, and CNN-PLS models was compared before and after augmentation. The results indicate that the data-augmented CNN-PLS model performed best, with a coefficient of determination (R 2 ) of 0.999 in the range of 0.001–1 μg/mL and a Mean Squared Error of Prediction (MSEP) of 0.0001. This method was applied to quantify Hg 2+ leaching from cinnabar and four cinnabar-containing preparations after 12 h of immersion in artificial gastric juice. The mean Hg 2+ concentrations from three cinnabar batches were 0.691, 0.557, and 0.546 μg/mL, while for the preparations, the concentrations were 0.085, 0.047, 0.038, and 0.023 μg/mL. These results showed excellent agreement with atomic fluorescence spectrometry (AFS), confirming the method's reliability and accuracy. This simple, accurate, and safe approach offers a novel solution for mercury safety assessment in cinnabar and its preparations, with significant potential for traditional Chinese medicine safety evaluation and environmental monitoring.
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DOI
高影响因子
FLUID PHASE EQUILIBRIA
·
2025
·
IF 2.7
Tao Jia,Jinpeng Yang,Jia Yu
Knowledge of the accurate pρTx behavior of hydrocarbon mixtures at different temperatures and pressures is indispensable for simulating reservoir behavior, optimizing recovery processes, and predicting the thermodynamic properties. The compressed liquid densities of n -pentane(1) + n -decane(2) binary mixtures with mole fraction x 1 = 0.1024, 0.2978, 0.5145, 0.7036, and 0.9113 were measured using a vibrating tube densimeter at temperatures from 283 K to 363 K, and pressures up to 100 MPa. The relative uncertainty for density measurement of n -pentane + n -decane binary mixtures of 0.99 mole fraction purity is 0.1%. The densities of binary mixtures were correlated with the modified Tait equation, and the absolute average deviations of the experimental and calculated values were 0.005%, 0.005%, 0.006%, 0.008%, and 0.009%, respectively. In addition, the isothermal compressibility, the isobaric thermal expansivity, and excess molar volume were calculated from experimental densities.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Lilei Zhang,Ye Wang,Rongrong Hou,Qichao Sheng,Menghua Zhang,Jingxiao Zhang
This study investigates the density, speed of sound, viscosity, and excess properties of the binary mixture of Methyl tert-Butyl Ether (MTBE) and Isopropanol (IPA) at 0.1 MPa and various temperatures (293.15–313.15) K. These properties were measured across a range of temperatures to examine the thermodynamic behavior and molecular interactions in the MTBE–IPA system. Excess molar volumes, isentropic compressibility deviations, viscosity deviations, and free energy for activation for viscous flow were calculated to analyze the nature and extent of molecular interactions between MTBE and IPA. The results reveal notable deviations in excess properties, indicative of specific intermolecular forces, such as hydrogen bonding and van der Waals interactions, which govern the mixture’s behavior. Quantum mechanical calculations and analysis of weak interactions demonstrate that MTBE molecules primarily engage in van der Waals interactions, while IPA molecules form strong hydrogen bonds. Intermolecular interactions in the MTBE–IPA binary system exhibit characteristics intermediate between these two interaction types. This research provides valuable insights for applications in solvent formulation, chemical processing, and environmental science, where MTBE and IPA mixtures are commonly used.
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
·
IF 2.323
Dan Fang,Xianyang Meng,Jiangtao Wu
The compressed liquid densities of binary mixtures of 1-butanol and diethylene glycol dimethyl ether (diglyme) have been measured over the temperature range from (283 to 363) K and at pressures up to 100 MPa covering the whole mole fraction of x1-butanol = (0, 0.3116, 0.5469, 0.7308, 0.8787, 1). The measurements were carried out using a high-pressure vibrating-tube densimeter with the combined expanded uncertainty (k = 2) of 0.6 kg·m–3. The experimental data were correlated using the modified Tait equation with an absolute average percentage deviation lower than 0.015% for each composition of the mixtures.
研究领域:
热力学
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物理化学
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高压流体性质
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2018
·
IF 4.513
Dan Li,Lingzong Meng,Tianlong Deng,Yafei Guo,Yu Pan
The solubilities and refractive indices of the NaBr–SrBr 2 –H 2 O and KBr–SrBr 2 –H 2 O systems at 288.15 K were investigated with the isothermal dissolution method. The phase diagrams and refractive index diagrams were plotted for the two systems at 288.15 K. The phase diagrams consist of one two-salt cosaturated invariant point , two univariant solubility isotherms, and two stable crystallization fields. The two systems belong to the simple eutectic type, and neither double salt nor solid solution was found. The refractive indices change regularly with the strontium bromide concentration increasing in solution, and reach the maximum value at the eutectic point. On the basis of Pitzer and Harvie-Weare (HW) model, the binary and mixing Pitzer parameters and solubility equilibrium constants of equilibrium solid salts for the two ternary systems at 288.15 K were acquired. And then, the solubilities for the ternary systems at 288.15 K were demonstrated. A comparison shows that the calculated solubilities agree well with the experimental data.
研究领域:
化学热力学
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溶液化学
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相平衡
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无机化学
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热力学建模
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DOI
高影响因子
FLUID PHASE EQUILIBRIA
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2017
·
IF 2.473
Tao Jia,Shengshan Bi,Jiangtao Wu
Compressed liquid densities of n -decane + n -dodecane binary mixtures were measured with a vibrating-tube densimeter at temperatures from (283–363) K and pressures from (0.1–100) MPa over the whole range of composition . The binary mixtures n -decane (1) + n -dodecane (2) were prepared at mole fractions of ( x 1 = 0, 0.2297, 0.4436, 0.6433 0.7841, and 1.0), respectively. The experimental densities of binary mixtures were successfully correlated with the Tait-type equation, and the absolute average percentage deviations of the experimental and calculated values were 0.048%, 0.055%, 0.059%, 0.058%, 0.068%, and 0.052%, respectively. In addition, the excess molar volume was calculated for whole range of temperature, pressure and composition.
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 AND ENGINEERING DATA
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2016
·
IF 1.835
Ying Zhang,Xiong Zheng,Maogang He,Yutian Chen
Ethers are usually used as gasoline additives, and now 2-methoxy-2-methylpropane (MTBE) is the most widely used fuel additive. The speed of sound in MTBE with a specified mass purity higher than 0.990 (GC) was measured by the Brillouin light scattering method in the temperature range of 293.15–673.15 K and for pressures up to 10 MPa, including saturated liquid/vapor, liquid, and supercritical fluid. The correlations for the speed of sound in saturated liquid/vapor and liquid were proposed by employing the experimental results. Comparing the calculated results with the experimental data, the average absolute deviations are 0.50% for saturated liquid, 0.20% for saturated vapor, and 0.24% for liquid. The tendency of speed of sound to temperature and pressure was also analyzed.
研究领域:
物理化学
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燃料科学
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DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2021
·
IF 6.165
Tao Yang,Yukun Sun,Xianyang Meng,Jiangtao Wu,J. Ilja Siepmann
This work reports new experimental data for the density and viscosity of n -decane + CO 2 binary mixtures. A simultaneous density and viscosity measurement apparatus was redesigned using a vibrating–wire viscometer coupled with a vibrating–tube densimeter. The measurements for the pure component ( n -decane) and three different binary mixtures ( n -decane + CO 2 ), with mole fractions of n -decane of (0.4026, 0.2225, 0.1262), were carried out at temperatures ranging from (303.15 to 373.15) K and pressures up to 80 MPa. The expanded relative uncertainties ( k = 2, level of confidence = 0.95) were estimated to be 0.2% for density and 3.0% for viscosity over the entire measurement range, respectively. Densities were correlated as a function of temperature and pressure through a modified Tait–type equation with an average absolute percentage deviation less than 0.05%. To model the viscosity of the binary mixtures as a function of temperature, density, and composition, the extended hard–sphere method combined with simple quadratic mixing rules were used to describe our experimental data. Good agreement is found between experiments and correlations, which attests to the predictive capabilities of semi–empirical equations. In addition, Monte Carlo simulations in the isobaric-isothermal ensemble with the Transferable Potential for Phase Equilibria–United Atom (TraPPE–UA) force field were carried out to characterize the microscopic structure of the studied systems.
研究领域:
化学工程
·
流体力学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2015
·
IF 2.037
Shengshan Bi,Tao Jia,Kang Zhao,Xianyang Meng,Jiangtao Wu
The density data for 2-ethylhexyl acetate, 2-methoxyethyl acetate, and diethyl succinate were reported. The density measurements were conducted with a high-pressure vibrating-tube densimeter over 9 isotherms at (283.15 to 363.15) K and 16 isobars at (0.1 to 100) MPa. The uncertainty of each obtained datum was estimated, and the expanded uncertainties of density measurements with a confidence level of 0.95 (k = 2) of density measurement for 2-ethylhexyl acetate, 2-methoxyethyl acetate, and diethyl succinate are 0.1 %. The experimental densities were correlated with the Tait-type equation, and the absolute average percentage deviations were 0.010 %, 0.009 %, and 0.011 % for 2-ethylhexyl acetate, 2-methoxyethyl acetate, and diethyl succinate, respectively. In addition, the isothermal compressibility and the isobaric thermal expansivity were derived from the Tait-type equation.
研究领域:
热力学
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物理化学
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化学工程
·
流体物性
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2016
·
IF 1.835
Kai Kang,Xiaopo Wang,Fuxin Yang,John M. Prausnitz
Experimental density data are reported for diethylene glycol monobutyl ether, diethylene glycol dibutyl ether, and ethylene glycol monobutyl ether from (283.15 to 363.15) K at pressures up to 60 MPa using a vibrating-tube densimeter. Relative uncertainties of density measurements are 0.001 with confidence level 0.95. The experimental data were fitted with a Tait-like equation; average relative deviations were 0.017% for diethylene glycol monobutyl ether, 0.015% for diethylene glycol dibutyl ether, and 0.019% for ethylene glycol monobutyl ether. The isobaric thermal expansivity and the isothermal compressibility were derived from the Tait-like equation.
研究领域:
物理化学
·
流体性质研究
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高压物性分析
·
化工热力学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Shaohua Lv,Yun Hao,Bohao Yang,Linghong Tang
In this article, a calorimeter was established on the basis of steady-flow calorimetry. The present calorimeter was utilized to measure the isobaric heat capacity (cp) of target fluids. First, water was measured to verify the reliability of the experimental system. Then the measurements of cp for methyl hexanoate and ethyl hexanoate were carried out at temperatures from 313 K to 433 K and pressures of up to 10 MPa. To implement easier industrial application, a correlation was proposed on the basis of the experimental data to calculate the cp values of methyl hexanoate and ethyl hexanoate, with maximum absolute relative deviations of 0.77% and 0.65%, respectively. The newly reported data will be helpful for use with methyl hexanoate and ethyl hexanoate.
研究领域:
化学工程
·
热力学
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DOI
高影响因子
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