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
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2021
·
IF 3.178
Kangrui Sun,Ziwei Bi,Yanqin Meng,Yafei Guo,Lingzong Meng,Tianlong Deng
The salt-water interactions on single salt aqueous solutions of cesium sulfate and cesium chloride, as well as their mixing solutions, have been investigated by a combination of density measurements by an Anton Paar Digital vibrating-tube densimeter and the correction of the Pitzer model of electrolyte. The volumetric properties including apparent molar volume ( V ϕ ) and the coefficient of thermal expansion of the solution ( α ) of the binary systems (CsCl + H 2 O), (Cs 2 SO 4 + H 2 O) and the ternary system (CsCl + Cs 2 SO 4 + H 2 O) from 283.15 to 363.15 K at 5 K intervals and atmospheric pressure were derived. Variation trends of these volumetric properties against temperature and molality were revealed minutely. The Pitzer single salt parameters ( β MX 0 v , β MX 1 v and C MX v , MX = CsCl and Cs 2 SO 4 ), mixing ion-interaction parameters ( θ Cl , S O 4 v and ψ Cs , Cl , S O 4 v ) as well as the correlation coefficient a i in the temperature-dependence equation ( F ( i, p, j ) = a 1 + a 2 ln( T /298.15) + a 3 ( T -298.15) + a 4 /(620- T ) + a 5 /( T -227)) have been obtained according to Pitzer ion-interaction model of electrolytes. These results are helpful to understanding the ion-interaction of aqueous solutions.
研究领域:
物理化学
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热力学
✓ 已验证
DOI
高影响因子
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
·
2011
·Vol. 13
·期 32
·14542-14549
·
IF 3.454
Kelei Zhuo,Yujuan Chen,Jing Chen,Guangyue Bai,Jianji Wang
Extensive applications of ionic liquids (ILs) may result in their accumulation in the ecological environment and organisms. Although ILs are popularly called “green solvents”, their toxicity, in fact, has been exhibited. Therefore the interaction of ILs with biomolecules is a cutting-edge research subject. Herein, the interactions of 1-butyl-3-methylimidazolium carboxylate ionic liquids ([C4mim][HCOO], [C4mim][CH3COO] and [C4mim][CH3CH2COO]) with glucose in water were studied for their volumetric properties, viscosity, conductivity and NMR spectra. Limiting apparent molar volumes (V0Φ,IL), viscosity B-coefficients, limiting molar conductivities (Λ0) and Walden products (Λ0η0) were evaluated for the ILs in glucose + water solutions. Volumetric interaction parameters were also obtained from the transfer volumes of the ionic liquids. The contributions of the solvent properties (B1) and the ionic liquid–solvent interactions (B2) to the B-coefficient were extracted, together with molar activation energies (Δμ0≠IL) of the ionic liquids for viscous flow of the aqueous glucose + IL solution. In addition, the 13C and 1H NMR spectra of methyl β-D-glucopyranoside and ILs in β-D-glucopyranoside + IL + D2O were studied. The NMR results show that no special and strong interactions were observed between glucopyranoside and the ILs. However, it was confirmed that the H2 on the imidazolium ring has more activity (acidity) than atoms H4 and H5. The macro-properties and their changes were also discussed in terms of the size, structure and solvation of the ILs and glucose.
研究领域:
生物化学
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环境科学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2022
·
IF 6.633
Ying Wei,Xin Guan,Sihan Feng,Qingguo Zhang,Dawei Fang,Xinyuan Zhang
Two functionalized ionic liquids , 1-cyanopropyl-3-methylimidazolium bistrifluoromethanesulfonimide ([C 3 CNmim][TFSI]) and 1-cyanopropyl-3-methylimidazolium trifluoromethanesulfonate ([C 3 CNmim][OTF]) were blended with γ-butyrolactone (GBL) under the full concentration range (molar fraction from 0 to 1) to form mixture systems, respectively. The densities and conductivities of pure ILs and their mixture systems were measured in the temperature range 288.15–343.15 K under normal pressure. The Vogel–Fulcher–Tammann (VFT) equation is employed to investigate the temperature dependence of conductivity. The volumetric properties of the mixture systems, excess molar volumes ( V E ) and apparent molar volumes ( V ϕ ), were calculated from the density data. The Redlich–Kister (R–K) polynomial equation and Redlich–Rosenfeld–Meyer (RRM) equation were used for the fittings of the V E and V ϕ , respectively. Further, the behaviors of intermolecular interactions in the mixture systems were explained by a combined analysis method composing of the assessment of the volumetric properties changes, the differential scanning calorimetry (DSC) analysis, the infrared (IR) spectrum shifts, and COSMO-RS methodology based on density functional theory (DFT) calculations. The stable optimized structures, H-bonding information, interaction energies, and charge distributions were consequently obtained. It can be found that the addition of the GBL weakened the hydrogen bonding interactions between the IL cations and anions. The [C 3 CNmim][TFSI] + GBL mixture system shows the lowest energy difference and it may give strong ion-solvent interactions when compare to [C 3 CNmim][OTF] mixture system.
研究领域:
物理化学
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材料科学
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2021
·
IF 6.165
Bingwen Long,Jiapo Song,Keke Yao,Yigang Ding
New density and vapor–liquid equilibrium data of PCl 3 -benzene binary system at atmospheric pressure (99.7–101.3 kPa) were carefully measured to provide crucial information for their industrial reaction and separation. The experimental mixture densities show excellent linear dependence on both solution composition and temperature and a generalized empirical correlation is proposed with an average relative deviation of 0.13%. The specific attractive P-π interaction between the phosphorus atom of PCl 3 and the π cloud of benzene seems to be quite strong in solution, leading to large negative excess volumes. But the π-π antibonding effect from benzene dimers are predominant in PCl 3 highly dilute solution, where positive excess volume and excess partial molar volumes of PCl 3 were observed. Experimental bubble points of the binary mixture were corrected to those under 101.325 kPa. Two distinctive methods of coexistence equation and activity coefficient models of Wilson and NRTL equations were applied to model the VLE data, and they yielded very consistent results. Although no azeotrope were found, this mixture exhibited quite low relative volatility.
研究领域:
物理化学
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化工热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2024
·
IF 2
Chen Liao,Chunying Zhu,Taotao Fu,Youguang Ma
Deep eutectic solvents (DESs) have been increasingly studied due to their wide application in many fields, such as metal treatment, extraction and separation, chemical synthesis, refinement of biological and natural components, and gas absorption. Water, as an abundant, environmentally friendly, and low-cost resource, can effectively regulate the structure and thermodynamic properties of DES; thus, it is important to study the effect of water on DESs. In this work, DESs with different water contents composed of monoethanolamine (MEA) and p-hydroxyanisole (MEHQ) in various mole ratios (1.0000:1.0000 to 5.0000:1.0000) were successfully prepared, and the density and viscosity were measured at temperatures ranging from 293.15 to 323.15 K using a U-shaped vibrating tube densitometer and a falling ball viscometer. Intermolecular interactions in DES aqueous solutions were investigated by using volumetric and viscometric properties: excess molar volume, thermal expansion coefficient, viscosity deviation, viscous flow activation energy, and excess Gibbs activation energy. The effect of the water content on the structure of DES could be roughly classified into three zones: the zone of structural integrity of DES, the zone of partial destruction of DES, and the zone of freeing of DES components.
研究领域:
化学
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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
·
2016
·
IF 2.74
Yujuan Chen,Qian Yang,Jing Chen,Guangyue Bai,Kelei Zhuo
With the intensive research of ionic liquids , more and more shortcomings of ionic liquids have been gradually found. At the same time, more ionic liquids with specific or multifunctional properties need to be designed for their wide applications. Thereby, the research for seeking new families of functionalized ionic liquids has been a hot topic. In this paper, we firstly synthetized seven novel functionalized gluconate-based ionic liquids [C n mim][C 6 H 11 O 7 ] (GBILs, n = 2, 4, 6, 8, 10, 12, and 14). Meanwhile, the volumetric, viscosity and conductivity properties for the GBIL + solvent (water/ethanol/propyl alcohol) systems were studied. The interactions between the ionic liquids and solvents were also explored. The results indicated that the interactions between the studied ILs and solvent depend on the structures of GBILs and the category of solvents.
研究领域:
化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MEMBRANE SCIENCE
·
2018
·
IF 6.578
Guanhua Liu,Zhongyi Jiang,Changdong Li,Lipeng Hou,Cheng Chen,Hao Yang,Fusheng Pan,Hong Wu,Peng Zhang,Xingzhong Cao
To synthesize small and evenly distributed fillers in polymer matrix is important to fulfill the advantage of nanocomposite membranes in overcoming the tradeoff effect between permeability and selectivity. In this study, nanocomposite membranes were prepared by synthesizing calcium oxalate (CaOx) nanoparticles in confined space of the layer-by-layer (LbL) self-assembled polymer network through bio-inspired mineralization. The active layer was tightly coated on hydrolyzed polyacrylonitrile substrate with thickness less than 200 nm. The CaOx nanoparticles were uniformly distributed in the polymer matrix with diameter less than 50 nm. The hydrophilicity of the nanocomposite membranes was decreased due to the incorporation of CaOx nanoparticles. And the free volume properties were tuned by creating new polymer/filler interface. At precursor concentration of 1 mM, the permeation flux increased by 14% to 958 g/(m 2 h), the separation factor increased by 2.36 times to 1562 compared to the control membrane, and the membrane showed good operating stability.
研究领域:
材料科学
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纳米技术
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膜技术
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2017
·
IF 3.648
Jing Zhang,Taotao Fu,Chunying Zhu,Youguang Ma
Densities and viscosities of glycine, L-alanine, L-valine, L-threonine and L-arginine in aqueous (0.1–0.5) mol·kg − 1 myo -inositol solutions were measured at T = (293.15, 303.15, 313.15 and 323.15) K and p = 0.101 MPa. The volumetric properties such as the apparent molar volume ( V φ ), the limiting partial molar volume ( V φ 0 ), the limiting partial molar volumes of transfer (Δ tr V φ 0 ), the limiting apparent molar expansibility ( E 2 0 ), Hepler's constant and the isobaric thermal expansion coefficient ( α 2 ) were calculated through density. The viscometric properties such as the B -coefficient, the free energies of activation per mole of solvent (Δ μ 1 0 ≠ ) and solute (Δ μ 2 0 ≠ ) were obtained from the experimental viscosity data. The derived parameters hydration number and solvation number were also calculated through apparent molar volume and B -coefficient. From the volumetric and viscometric properties, the solute-solute and solute-solvent interactions in the studied systems were analyzed on the basis of co-sphere overlap model and transition state theory . Finally, the group contribution method was applied to calculate the contribution of (NH 3 + , COO − ), CH 2 , OH and CNHNHNH 2 of amino acids to V φ 0 , B -coefficient and Δ μ 2 0 ≠ .
研究领域:
物理化学
·
热力学
·
溶液化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Yingying Zhang,Yuxin Zhang,Anlei Yi,Jie Wei,Dawei Fang
Ether-group functionalized ionic liquid N-(2-methoxyethyl)-N-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide, [C1OC2pyrr][NTf2], was synthesized and characterized by 1H NMR, 13C NMR, and TGA. The density and surface tension of binary mixtures including [C1OC2pyrr][NTf2] and monohydric alcohols were measured over the entire range of mole fractions in different temperatures. Based on the experimental data of density and surface tension, the volumetric and surface properties of [C1OC2pyrr][NTf2] and its binary mixtures were obtained, and Vm, αp, and VE were explored. The effects of temperature and composition on these properties were investigated, and the excess molar volume of two binary mixtures was well fitted by the Redlick-Kister equation. The molar surface Gibbs energy (gs) of [C1OC2pyrr][NTf2] and its binary mixtures was calculated, and the traditional Eötvös equation was modified; moreover, all parameters had a clear physical meaning. Finally, based on gs, the surface tension of [C1OC2pyrr][NTf2] and its binary mixtures was estimated, and it is in good agreement with experimental values.
研究领域:
化学
·
物理化学
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
·
2023
·Vol. 148
·期 14
·7125-7145
·
IF 4.4
Wei Jie,Sun Ximan,Zhang Yuxin,Gao Peizhen,Ren Caixia,Fang Dawei,Li Li
Deep eutectic solvents (DESs) as the novel kind of green solvents have been received widespread attention. After the addition of molecular solvents, a pseudo-binary system is set up with the advantages such as low cost. A kind of DES (1TEAB: 3EG) was prepared and confirmed, and it is mixed with acetonitrile, ethanol and water. Their density, surface tension and refractive index of the DES and its corresponding pseudo-binary mixtures are explored in depth. In addition to the excess molar volumes, the partial molar volumes, partial molar volume at infinite dilution and their excess molar volumes are also investigated. The molar Gibbs free energy and the corresponding molar surface enthalpy could be deduced from the improved Eӧtvӧs equation. It is suggested that the molar Gibbs free energy model is fit for that of DES and its pseudo-binary systems. In addition, the surface tension deviations and refractive index deviations are figured out. This illustrates that there are fairly strong interactions between DES (1TEAB: 3EG) and molecular solvents, which could attribute to mainly two sides: H-bonding and structural effect. Besides, refractive properties such as the molar refraction and free volume are advised that there are ion–dipole interactions between DES and molecular solvents. Graphical abstract
研究领域:
化学
·
物理化学
·
材料科学
✓ 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）