FLUID PHASE EQUILIBRIA
·
2015
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IF 2.2
Qi Zhang,Yonghong Hu,Yang Yang,Cuicui Cao,Limin Cheng,Ying Shi,Wenge Yang
In this paper, we focused on solubility and solution thermodynamics of dibenzothiophene . By gravimetric method , the solubility of dibenzothiophene was measured in (formic acid + butan-1-ol) binary solvent mixtures from 278.15 K to 333.15 K under atmosphere pressure. The solubility data were fitted using modified Apelblat equation, a variant of the combined nearly ideal binary solvent/Redich–Kister (CNIBS/R–K) model and Jouyban–Acree model. Computational results showed that the modified Apelblat equation was superior to the other two equations. In addition, the thermodynamic properties of the solution process, including the Gibbs energy , enthalpy, and entropy were calculated by the van't Hoff analysis. The experimental results showed that formic acid could be used as effective anti-solvents in the crystallization process .
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ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
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2015
·Vol. 641
·期 5
·911-916
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IF 1.16
Fugang Li,Wenyuan Zhao,Sitong Chen,Tonglai Zhang,Zunning Zhou,Li Yang
Two nitrogen-rich alkali metal salts based on nitrogen-rich anion [Zn(bta) 2 ] 2– : {[Na 2 Zn(bta) 2 (H 2 O) 8 ] · H 2 O} n ( 1 ) and {[K 2 Zn(bta) 2 (H 2 O) 4 ]} n ( 2 ) were synthesized by reactions of alkali hydroxide, N , N -bis(1 H -tetrazol-5-yl)amine (H 2 bta), and zinc chloride in aqueous solutions. The crystal structures of 1 and 2 were determined by low temperature single-crystal X-ray diffraction and fully characterized by elemental analysis and FT-IR spectroscopy. The structures demonstrate that an infinite 1-dimensional (1D) chain structure is constructed by Na + ions and bridging water molecules in compound 1 , which is connected by extensive hydrogen bonds forming a complex 3D network, whereas compound 2 features a more complicated 3D metal-organic framework (MOF). The thermal behaviors of 1 and 2 were investigated by differential scanning calorimetry (DSC) measurements. The DSC results illustrate that both compounds exhibit high thermal stabilities (decomposition temperature > 345 °C). In addition, the heats of formation were calculated on the basis of the experimental constant-volume energies of combustion measured by using bomb calorimetry. Lastly, the sensitivities towards impact and friction were assessed according to Bundesamt für Materialforschung (BAM) standard methods.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
·
IF 2.4
Ziyu Zhuang,Manman Zhang,Dandan Gao,Wolfgang Voigt,Dongdong Li,Haitao Feng
Previously, the formation of a stable adduct 2H3BO3·3CsCl (BC) was observed in CsCl(aq) but not in RbCl(aq). The phase equilibria of the H3BO3 + RbCl + CsCl + H2O system were studied to assess the potential for selective separation of Cs from Rb. Solubility isotherms were determined experimentally. Appropriate liquid composition ranges were preselected using modeling with ISLEC’s equilibrium software. Schreinemakers’ wet solid method, XRD, Raman and IR spectra, Roozeboom’s plots, and SEM-EDS were applied to identify the four phase regions H3BO3, 2H3BO3·3(Cs,Rb)Cl (Bss), (Rb,Cs)Cl, and (Cs,Rb)Cl. Notably, in the presence of RbCl, the BC phase incorporates Rb+, forming a substitutional solid solution, Bss, which inhibits selective separation of CsCl. Roozeboom’s plot analysis revealed that RbCl exhibits higher solubility in the Bss phase compared to the (Cs,Rb)Cl solid solution. The separation factor βCs/Rb between the solid Bss phase and the corresponding solution was 2.0, significantly lower than that of (Cs,Rb)Cl (βCs/Rb = 9.5) in the ternary system without H3BO3. This indicates a stronger coordination between CsCl and H3BO3 relative to that of RbCl in the ternary system without H3BO3. The above understanding provides new strategies designing novel B–OH compounds to enhance Cs/Rb separation efficiency in aqueous systems.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2017
·
IF 2.323
Ying Zhang,Xiong Zheng,Yutian Chen,Maogang He
The thermal diffusivities of 2-ethoxy-2-methylpropane (ETBE) and 2-methoxy-2-methylbutane (TAME) (mass purity > 0.990, GC) were measured by the dynamic light scattering method. The investigated p–T regions are T = (293 to 523) K and p = (4 to 10) MPa, including saturated liquid, saturated vapor, and liquid. The expanded relative uncertainty in thermal diffusivity was estimated to be less than 2.4% over the whole investigated range. The influences of temperature and pressure on thermal diffusivity were presented. The empirical correlation of thermal diffusivities for both saturated liquid/vapor and liquid were also proposed with absolute average relative deviations (AARDs) of 0.22 and 0.26% for saturated-liquid ETBE and TAME, 0.13 and 0.20% for saturated-vapor ETBE and TAME, and 0.23 and 0.69% for liquid ETBE and TAME, respectively.
研究领域:
热物理
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化学工程
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物理化学
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FOOD CHEMISTRY
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2022
·
IF 9.231
Yuhang Hu,Xuhui Kan,Tingting Yang,Xia Fan,Wangting Zhou,Guijie Chen,Yamei Yan,Lu Lu,Jia Mi,Xiaoxiong Zeng,Youlong Cao
Chlorogenic acids are important phenolics in the fruits of wolfberry, but little attention has been paid on their glucosylated forms. In the present study, a glucosylated form of chlorogenic acid was isolated from the fruits of Lycium barbarum L. var. auranticarpum K. F. Ching (also called yellow wolfberry) and identified to be (-)-5- O -(3- O -β- d -glucopyranosylcaffeoyl)-quinic acid (5-CQA-3′βG) by high resolution mass spectrometry and nuclear magnetic resonance spectrometry. The content of 5-CQA-3′βG in the dried fruit was determined as 0.0293 ± 0.0015% by HPLC. In addition, 5-CQA-3′βG showed a good scavenging capacity for 2,2′-azino-bis-(3-ethylben-zothiazoline-6-sulphonate) free radicals but had a relatively low reducing power and scavenging capacity for 2,2-diphenyl-1-picrylhydrazyl free radical. Moreover, the secretion of nitric oxide, tumor necrosis factor-α and interleukin-6 as well as related mRNA expression were reduced in lipopolysaccharide-stimulated RAW264.7 macrophage cells treated with 5-CQA-3′βG. This is the first report describing purification, identification and bioactivity of glucosylated CQA from yellow wolfberry.
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PubMed
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Yanjuan Peng,Ziteng Wang,Wenhao Jiao,Xinxin Cheng,Jingjing Yang,Yonghong Hu,Li Mi
This article deals with the saturated solubility and solvation behavior of 2-bromo-9-fluorenone in 10 industrial common solvents and three binary mixed solvents by means of experimental and mathematical correlations. Solubility experiments were investigated using the static equilibrium method combined with high-performance liquid chromatography (HPLC) from 278.15 to 323.15 K at atmospheric pressure. The results showed that the maximum and minimum solubility of 2-bromo-9-fluorenone was 0.0526 (mole fraction) in 1,4-dioxane at 323.15 K and 0.0002 (mole fraction) in methanol at 278.15 K, respectively, and the solubility increased with the increase in temperature in all solvents. Furthermore, the solubility data of 2-bromo-9-fluorenone was analyzed using the Apelblat model, the Buchowski–Ksiazaczak λh model in pure solvents, CNIBS/R-K model, and the Jouyban–Acree model in binary solvent mixtures. By error comparison, the Apelblat model and the CNIBS/R-K model can better predict the solubility of 2-bromo-9-fluorenone. In addition, the solvation behavior was illustrated by the KAT-LSER model in pure solvents, and the result shows that the cohesive energy density in the solution is the main factor affecting 2-bromo-9-fluorenone. Therefore, the solubility data is very important for optimizing the extraction process and recrystallizing 2-bromo-9-fluorenone to obtain a higher yield in industry production.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Guang Yang,Shaoming Fang,Jianqiang Zhang,Ruijuan Wang,Ruixue Liu,Renjie Xu,Chunjuan Huang
The solubility of 2-amino-3-chloropyrazine (ACPY) in some binary cosolvent mixtures of (methanol, isopropyl alcohol, ethylene glycol (EG), N,N-dimethylformamide (DMF)) plus water and the experimental solubility of 2-amino-3,5-dibromopyrazine (ADPY) in (ethanol + water), (isopropyl alcohol + water), (EG + water), and (PG + water) were all determined by the isothermal saturation method from 278.15 K to 323.15 K at 101.2 kPa. The trend of the system temperature and the change of the solvent partner are both factors that affect the dissolution. As the temperature goes higher, the amount of dissolution follows, but the higher is the water content of the solvent, the less solute will be dissolved. The combination of DMF and water is best for the dissolution of ACPY, and the addition of ethanol to water shows an advantage of dissolving ADPY over other combinations. The experimentally obtained dissolution data were then calculated by using three models for the two miscible solvent systems. For ADPY, RAD and RMSD maximums were 2.63 × 10–2 and 2.10 × 10–5. For ACPY, RAD and RMSD were no greater than 6.55 × 10–2 and 6.83 × 10–4.
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JOURNAL OF CHEMICAL THERMODYNAMICS
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2020
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IF 2.888
Zhan-Ping Qiao,Tian Yang,Shu-Zhi Cao,Yu-Feng Tang,Qi-Chao Yang
Solid-liquid equilibria in the ternary systems RbX + CdX 2 + H 2 O (X = Cl, Br) at T = 298.15 K and under 101.3 kPa were investigated by the method of isothermal solution saturation, and the corresponding phase diagrams were constructed. It was found that there were five crystallization regions corresponding to CdCl 2 ·2.5H 2 O, RbCd 2 Cl 5 ·H 2 O, RbCdCl 3 , Rb 4 CdCl 6 and RbCl in the system (RbCl + CdCl 2 + H 2 O). Four crystallization regions corresponding to CdBr 2 ·4H 2 O, RbCdBr 3 , Rb 4 CdBr 6 and RbBr were found in the system (RbBr + CdBr 2 + H 2 O). The new solid compounds RbCdCl 3 , RbCdBr 3 and Rb 4 CdBr 6 were congruently soluble in water, and new double salts RbCd 2 Cl 5 ·H 2 O and Rb 4 CdCl 6 were incongruently soluble in water. The new solid-phase compounds RbCd 2 Cl 5 ·H 2 O, RbCdCl 3 , Rb 4 CdCl 6 , RbCdBr 3 and Rb 4 CdBr 6 were characterized by chemical analysis, XRD and TG-DTG techniques. The standard molar enthalpies of solution of RbCd 2 Cl 5 ·H 2 O, RbCdCl 3 , Rb 4 CdCl 6 , RbCdBr 3 and Rb 4 CdBr 6 in water were measured to be (20.74 ± 0.16) kJ·mol −1 , (28.00 ± 0.39) kJ·mol −1 , (96.56 ± 0.50) kJ·mol −1 , (35.38 ± 0.33) kJ·mol −1 and (110.64 ± 0.62) kJ·mol −1 by microcalorimetry in the condition of infinite dilution, and their standard molar enthalpies of formation were determined to be −(1545.3 ± 0.6) kJ·mol −1 , −(856.5 ± 0.7) kJ·mol −1 , −(2180.1 ± 1.3) kJ·mol −1 , −(727.1 ± 0.7) kJ·mol −1 and −(1920.5 ± 1.3) kJ·mol −1 , respectively.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2018
·
IF 2.196
Ying Zhang,Yutian Chen,Taotao Zhan,Maogang He
The speed of sound in n-heptane was measured by the Brillouin light scattering (BLS) method. The examined region is T = (513.40 to 650.90) K along seven isobaric lines at p = (2.5, 3.0, 4.0, 5.0, 6.0, 8.0, and 10.0) MPa, which was near the critical point of n-heptane. The relative expanded uncertainty (k = 2) of BLS experimental system is estimated to be <0.013 for the speed of sound measurement. The variation tendencies of the speed of sound with increasing temperature and pressure were illustrated. Moreover, the calculated results from the multiparameter equation of state (EOS) proposed by Span and Wagner were employed to assess the experimental data in this paper. The absolute average of the deviations (AAD) between the experimental data and the calculated results is 1.22% in the whole investigated p–T region.
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JOURNAL OF MOLECULAR LIQUIDS
·
2017
·
IF 3.648
Jiahong Zhu,Keke Yu,Yugang Zhu,Ruyu Zhu,Fangfang Ye,Ning Song,Yingjie Xu
Three deep eutectic solvents (DESs) were synthesized using choline chloride (ChCl) and phenolic compounds (phenol, p -cresol, and p -chlorophenol) as hydrogen bond donors (HBD) with a molar ratio of 1:2 (ChCl:HBD). Densities ( ρ ), viscosities ( η ), and refractive indices ( n D ) of DESs were measured at T = (293.15 to 333.15) K under atmospheric pressure. Temperature dependence of ρ and η were fitted by empirical equations, and thermal expansion coefficient ( α p ) and activation energy for viscous flow ( E η ) were obtained accordingly. FT-IR spectra of DESs were determined and compared with the corresponding HBDs. Based on physicochemical properties and FT-IR spectra, the influence of electronic effect of substitution group of HBD on hydrogen bond interaction between ChCl and HBD was explored. The results show that the electronic effect of HBD plays an important role on the strength of hydrogen bond interaction of O H ⋯ Cl − of DES. The strong electron-withdrawing property of Cl group of p -chlorophenol can strengthen the hydrogen bond interaction of O H ⋯ Cl − , which leads to higher ρ , η , and n D of DES formed by ChCl and p -chlorophenol. Conversely, CH 3 group of p -cresol exhibits electron-donating effect, resulting in weaker hydrogen bond interaction and lower ρ and n D of DES formed by ChCl and p -cresol. Consequently, the strength of hydrogen bond interaction of O H ⋯ Cl − between ChCl and HBD of DES is as follows: p -chlorophenol > phenol > p -cresol.
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Journal of Environmental Chemical Engineering
·
2025
·
IF 7.2
Changhao Wu,Xudong Yu,Nan Zhang,Jing Li,Qi Li,Yousheng Yang,Ke Chen,Bo Yang,Shuang Wang,Yiping Liu,Zhenwen Xing
To solve the massive accumulation of gypsum generated from polyhalite leaching and secondary gypsum, this study investigated phase equilibria of the ternary system NH 4 + , Ca 2+ // SO 4 2- - H 2 O at 323.2 K and 348.2 K. The phase diagrams included 2 invariant points, 3 univariate curves, and 3 crystallization regions corresponding to (NH 4 ) 2 SO 4 , CaSO 4 ·2H 2 O, and double salt koktaite (NH 4 ) 2 Ca(SO 4 ) 2 ·H 2 O. As temperature increased, the crystallization region of CaSO 4 ·2H 2 O contracted, whereas those of (NH 4 ) 2 SO 4 and koktaite expanded, indicating that the temperature-enhanced was beneficial to improve the crystallization efficiency of koktaite. Guided by multitemperature phase diagram, the influencing factors and optimal conditions of the comprehensive utilization process of phosphogypsum were explored. The synthesis of koktaite achieved maximum efficiency under conditions of 1: 1.5 molar ratio, 348.2 K reaction temperature, 90 min duration, and 250 rpm agitation. Concurrently, under solid-liquid ratio of 1: 0.5 and after three leaching cycles of 30 seconds each, the yield of CaSO 4 ·2H 2 O production reached 99.80% with a purity of 99.52%. However, the purity and yield of product decreased due to the accumulation of impurities during the cycles, stabilizing after 6 cycles (koktaite yield: 98.50%; purity: 95.69%; (NH 4 ) 2 SO 4 yield: 97.69%; purity: 95.42%). Granulated koktaite released NH 4 + through layer-by-layer dissolution, which prolonged the dissolution time, and the complete dissolution time was 6 times and 24 times longer than that of ungranulated koktaite and (NH 4 ) 2 SO 4 . This work integrates theoretical phase behavior analysis with process engineering to establish a circular resource recovery strategy for synthesizing high-value products from phosphogypsum.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2021
·
IF 2.694
Yuanyuan Han,Houchun Yan,Mai Han,Wei Wang,Jia Han,Tao Xing,Bing Li,Qingsong Li
The basic liquid–liquid equilibrium data of two systems {water + 2-propanol (IPA) + 1-octanol/n-propyl acetate} were measured. The distribution coefficients of the 2-propanol and the separation factors of the systems were calculated to analyze the extraction ability of the two extractants that extract IPA from water. The correlation model Hand equation was used to fit the data. The value of the linear correlation coefficient R2 > 0.99 indicates that the linear fit of the experimental data is good. The theoretical models NRTL and UNIQUAC were used to correlate the measured data. The deviation between experimental data and simulated data was calculated by the root mean square deviation (RMSD). The RMSD < 0.01 means that the two models were suitable for the regression of the systems studied in this work. GUI-MATLAB has validated the binary interaction parameters. The basic data obtained from this work can support the separation of water and IPA.
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