JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2020
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IF 2.369
Dan Zhao,Yun Zhuang,Chunshan Fan,Xihui Zhang,Fang Yang,Yuhuan Chen
The densities of six binary systems containing N,N-dimethylcyclohexylamine (DMCA) and ethanol, n-propanol, iso-propanol, n-butanol, iso-butanol, or tert-butanol were reported in this work at temperatures ranging from (288.15 to 318.15) K and atmospheric pressure. According to the experimental density values, molar volume (Vm), thermal expansion coefficient (αp), and excess molar volume (VmE) were calculated. The results showed that VmE values were all negative over the entire composition. The minimum values of the six systems at 298.15 K were located at (−1.097, −1.094, −0.900, −1.033, −1.154, and −1.073) cm3·mol–1 at about xDMCA = 0.4, respectively. All these are dependent on intermolecular interactions and the steric structural effect. Furthermore, VmE variations with composition (xDMCA) as well as temperature were well fitted with the Redlich–Kister-type polynomial equation.
研究领域:
物理化学
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热力学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2016
·
IF 2.196
Hujun Xie,Lijiang Zhao,Chengcheng Liu,Yifan Cao,Xiaoxing Lu,Qunfang Lei,Wenjun Fang
The densities of aqueous solutions of glycine, l -serine, l -alanine, l -proline with the ionic liquid (IL), 1-phenylpiperazinium tetrafluoroborate ([Phpi][BF 4 ]) at the IL concentrations of (0.025, 0.055 and 0.100) mol·kg −1 have been measured at the temperatures of (298.15, 303.15 and 308.15) K. On the basis of the experimental results, the apparent molar volume ( V Ф ), standard partial molar volume ( V Ф 0 ), transfer partial molar volume (Δ tr V Φ 0 ) and hydration number ( n H ) have been calculated. The hydrophilic–hydrophilic, hydrophobic–hydrophilic and hydrophobic–hydrophobic interactions are involved in the studied systems of {[Phpi][BF 4 ] + amino acids + H 2 O. These volumetric parameters can help to understand the mixing effects and other complex biological processes between amino acids and ionic liquid aqueous solution.
研究领域:
生物化学
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物理化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2019
·
IF 2.29
Kangrui Sun,Panpan Li,Long Li,Yafei Guo,Lingzong Meng,Tianlong Deng
Densities for aqueous solutions of Cs 2 B 4 O 7 at the molalities of (0.16635–0.69694) mol·kg −1 were measured with an Anton Paar Digital vibrating-tube densimeter at temperatures from 283.15 K to 363.15 K and 101 kPa. According to experimental data, apparent molar volume ( V ϕ ), partial molar volume ( V ¯ ϕ ), and the coefficient of thermal expansion ( α ) of the Cs 2 B 4 O 7 aqueous solution were calculated, and their distributive behaviors against temperature and molality have been discussed in details. Considering the structure of Cs 2 B 4 O 7 in aqueous solution system is in the form of Cs 2 [B 4 O 5 (OH) 4 ], the Pitzer single-salt parameters ( β M , X 0 v , β M , X 1 v , β M , X 2 v and C M , X v ) for Cs 2 [B 4 O 5 (OH) 4 ] as well as temperature-dependence correlations were obtained for the first time on the basis of Pitzer ion-interaction apparent molar volume model of electrolytes. The deviations between the Pitzer single-salt parameters of Cs 2 [B 4 O 5 (OH) 4 ] fitted at each temperatures based on the experimental data and those of the calculated values corresponding to the temperature-dependence equations on Pitzer single-salt parameters are all within ±0.1, indicating that the single-salt parameters and their temperature-dependence equations obtained in this work are reliable.
研究领域:
物理化学
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热力学
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溶液化学
✓ 已验证
产品关联
DOI
高影响因子
FOOD CHEMISTRY
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2021
·
IF 7.514
Umarbek Alimov,Kaiyu Zhao,Jiayin Hu,Yafei Guo,Lingzong Meng,Xiuyun Pan,Tianlong Deng
The purpose of this exploration was to determine the density and volumetric properties of the aqueous solution of Na 2 H 2 P 2 O 7 with the molality varied from 0.08706 to 0.88402 mol·kg −1 measured at temperature intervals of 5 K from 283.15 to 363.15 K at 101.325 kPa using Anton Paar Digital vibrating-tube densimeter. The thermal expansion coefficient ( α ), apparent molar volume ( V Φ ), expansibility ( ϕ E ), and partial molar volume ( V B ) of Na 2 H 2 P 2 O 7 (aq) against temperature and molality have been evaluated from density data. On the basis of Pitzer ion-interaction apparent molar volume theory, the Pitzer single-salt parameters ( β M , X 0 v , β M , X 1 v , β M , X 2 v and C M , X v , MX = Na 2 H 2 P 2 O 7 ), and their correlation coefficients a i of the temperature-dependence formula f ( i , p , T ) = a 1 + a 2 ln( T /298.15) + a 3 ( T − 298.15) + a 4 /(620 – T ) + a 5 /( T − 227) for Na 2 H 2 P 2 O 7 were obtained for the first time. It was revealed that predicted apparent molar volumes agreed well with the experimental values indicating the single salt parameters and the temperature-dependent formula are reliable.
研究领域:
物理化学
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无机化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
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2013
·
IF 2.297
Sheng Fang,Xiao-Bo Zuo,Xue-Jiao Xu,Da-Hai Ren
Densities ( ρ ) and viscosities ( η ) for binary mixtures of tri- n -octylamine (TOA) + n -heptane, TOA + n -octane, TOA + n -nonane, and TOA + n -decane are determined at T (283.15, 293.15, and 303.15) K and atmospheric pressure. The excess molar volume is calculated from the density data and is correlated by a Redlich–Kister type equation. The excess molar volume is negative for all the four systems. The results show that the volume accommodation effect is predominant in these systems. The Grunberg & Nissan equation and Fang & He equation for binary mixtures are used to correlate the experimental viscosity data. The Fang & He equation gives an average absolute deviation ( AAD %) of 0.8% for TOA with alkane mixtures, better than that of 3.8% given by the Grunberg & Nissan equation.
研究领域:
物理化学
·
热力学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2012
·
IF 1.693
Dongbei Shao,Xiaoxing Lu,Wenjun Fang,Yongsheng Guo,Li Xu
A novel ionic liquid N-ethyl piperazinium propionate, [NEPP], was prepared, and the densities and viscosities for the binary mixtures of [NEPP] with methanol, ethanol, n-propanol, and n-butanol were measured over the whole concentration range at (298.15, 303.15, 308.15, and 313.15) K and 0.1 MPa. The data of the excess molar volume, VmE, were calculated and fitted with the Redlich–Kister type polynomial equation. The values of VmE of the investigated systems are all negative, indicating that the ion–dipole interactions play important roles between the molecules of the ionic liquid and the alcohols.
研究领域:
物理化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2015
·
IF 2.679
Xiaofen Ren,Chunying Zhu,Youguang Ma
Densities ( ρ ) and viscosities ( η ) of glycine, l -alanine, l -valine, l -threonine and l -arginine in (0.2, 0.4, 0.6, 0.8 and 1.0) mol · kg −1 aqueous sorbitol solutions have been measured at T = (293.15, 303.15, 313.15 and 323.15) K under atmospheric pressure. The apparent molar volume ( V φ ) and the limiting partial molar volumes of amino acids ( V φ 0 ) were calculated through the density data. And the limiting partial molar volumes of transfer (Δ tr V φ 0 ) and interaction coefficients V ab , and V abb were also determined. The extended Jones–Dole equation was used to correlate the viscosities in order to obtain viscosity B -coefficient and the free energies of activation per mole of solvent (Δ μ 1 0≠ ) and solute (Δ μ 2 0≠ ). The limiting partial molar volume of transfer and the free energies of activation per mole of both solvent (Δ μ 1 0≠ ) and solute (Δ μ 2 0≠ ) were discussed on the basis of the co-sphere overlap model and transition state theory, respectively. The hydration number of amino acids was computed using the obtained limiting partial molar volume and viscosity B -coefficient. Additionally, the group contribution method was applied to determine the respective contribution of (NH 3 + , COO − ), CH 2 , OH and CNHNHNH 2 to V φ 0 and B -coefficient.
研究领域:
物理化学
·
溶液化学
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2016
·
IF 2.196
Fangfang Ye,Jiahong Zhu,Keke Yu,Ruyu Zhu,Yingjie Xu,Jiayi Chen,Lingxiao Chen
In this work, densities and viscosities of aqueous solution of 1,1,3,3-tetramethylguanidine imidazolide ([TMG]IM) ionic liquid were measured at temperatures from T = (293.15 to 313.15) K. Volumetric properties including excess molar volumes V E , apparent molar volumes, partial molar volumes, and excess partial molar volumes were calculated from the experimental density. Viscosity deviations Δ η , Gibbs energy and excess Gibbs energy of activation for viscous flow were deduced from the viscosity. Moreover, electrical conductivities κ and refractive indices of binary mixtures of [TMG]IM with water and alcohols were determined at 298.15 K. The results show that V E values of {[TMG]IM (1) + water (2)} mixture are negative over the whole composition range, while Δ η and refractive index deviations Δ n D values exhibit positive deviations, indicating that the hydrogen bonding interaction between [TMG]IM and water is dominant. The absolute values of V E and Δ η of the mixture decrease with the increasing temperature. The V E , Δ η , and Δ n D can be fitted by the Redlich–Kister equation with satisfactory results. The concentration-dependent κ of the studied systems are fitted to Casteel–Amis equation, showing that the κ values of {[TMG]IM (1) + water (2)} mixture are much higher than those of {[TMG]IM (1) + ethanol (2)} mixture.
研究领域:
物理化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2020
·
IF 5.065
Fu Li,Bin Li,Ying Zhang,Yaoping Wang,Xiaoqian Jia,Qiang Li,Jianbin Zhang
For liquid and liquid mixtures, density (ρ), viscosity (η) and surface tension (γ) are seen as important basic data. This research reported the data of ρ, η and γ for the binary mixture of tri-ethylene glycol (TEG) + 1,3-propanediamine (PDA) at p = .1 MPa and T = (293.15 to 318.15) K within the whole molar fraction range, finding the maximum of η and γ values when the mole fraction of TEG was x 1 ≈ 0.65. After that, excess molar volume ( V m E ), viscosity deviation (Δη), and surface tension deviation (Δγ) were carefully calculated, and the minimum V m E values and the maximum Δγ values were obtained when the molar fraction of TEG was at x 1 ≈ 0.50; however, the maximum Δη values shifted from x 1 ≈ 0.60 to x 1 ≈ 0.66. And then, the Redlich-Kister (R-K) equation fitting was performed on above parameters to evaluate the coefficient and standard deviation, apparent molar volumes ( V φ , 1 and V φ , 2 ) and partial molar volumes ( V 1 ¯ and V 2 ¯ ). Meanwhile, Gaussian 09 software was used to further analyze the intermolecular force and to calculate the dissociation energy and bond length of the mixture, and the interaction of PDA with TEG were discussed on the basis of FTIR, UV–Vis and FLS spectral technologies. The results showed that there were hydrogen-bond interactions between the nitrogen atoms in PDA and the hydroxyl hydrogen atoms in TEG.
研究领域:
物理化学
·
计算化学
·
光谱学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2010
·
IF 1.695
Yihe Wang,Weidong Yan
Densities of binary mixtures of 1,3-diethyl propanedioate with methanol, ethanol, propan-1-ol, propan-2-ol, butan-2-ol, 2-methyl-propan-1-ol, and pentan-1-ol have been measured at temperatures of (288.15, 298.15, 313.15, and 328.15) K using an Anton Paar model DMA 5000 M oscillating densimeter. Excess molar volumes were calculated from these densities. The experimental data were fitted to the Redlich−Kister equation.
研究领域:
物理化学
·
热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2012
·
IF 2.422
Wu Qian,Yingjie Xu,Hongye Zhu,Chaohong Yu
Densities and viscosities of the pure ionic liquid 1-methylimidazolium acetate ([Mim]Ac) and its binary mixtures with methanol, ethanol, 1-propanol, and 1-butanol were measured at temperature ranging from T = (293.15 to 313.15) K. The thermal expansion coefficient, molecular volume, standard entropy, and lattice energy of [Mim]Ac were deduced from the experimental density results. A simple linear equation was used to correlate the variation of viscosity of [Mim]Ac with temperature. Excess molar volumes V E and viscosity deviations Δ η for the binary mixtures at above mentioned temperature were calculated and fitted to the Redlich–Kister equation with satisfactory results. Excess molar volumes for {[Mim]Ac + 1-butanol} mixture have an S shape, while those for other mixtures have a negative deviation from ideal behaviour over the entire mole fraction range. Viscosity deviations are all negative deviation for {[Mim]Ac + alcohol} mixtures. The results were interpreted in terms of interactions and structural factors of binary mixtures.
研究领域:
物理化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2012
·
IF 2.422
Yingjie Xu,Bin Chen,Wu Qian,Haoran Li
Values of the density and viscosity of the pure ionic liquid n -butylammonium nitrate (N4NO 3 ) and its binary mixtures with methanol, ethanol, 1-propanol, and 1-butanol were measured at temperature ranging from T = (293.15 to 313.15) K. The thermal expansion coefficient, molecular volume, standard entropy, and lattice energy of N4NO 3 were deduced from the experimental density results. The temperature dependence of the viscosity of N4NO 3 was fitted to the fluidity equation. Excess molar volumes V E and viscosity deviations Δ η for the binary mixtures were calculated and fitted to the Redlich–Kister equation with satisfactory results. Both excess molar volumes and viscosity deviations show negative deviations for (N4NO 3 + alcohol) mixtures. The effect of the temperature and the size of the alcohol on the excess molar volumes and viscosity deviations are discussed and analysed. Other derived properties, such as the apparent molar volume, partial molar volume, excess partial molar volume, thermal expansion coefficient, and excess thermal expansion coefficient of the above-mentioned systems were also calculated.
研究领域:
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）