JOURNAL OF CHEMICAL THERMODYNAMICS
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2022
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IF 3.269
Xin Li,Taotao Zhan,Yongbo Zhang,Yuqi Su,Maogang He,Ying Zhang
As one of higher n -alkanes, n -dodecane is an important component of surrogate fuels for aviation kerosene, of which the accurate knowledge of its thermophysical properties is necessary for industrial application. The speed of sound in n -dodecane was measured by the Brillouin light scattering (BLS) in the vicinity of the critical point, of which the examined regions are T = (433.49 to 678.84) K along seven isobaric lines at p = (1.85, 2.0, 2.2, 4.0, 6.0, 8.0, and 10.0) MPa. The relative expanded uncertainty of BLS experimental system is estimated to be less than 1.2% with the confidence level of 95% (coverage factor, k = 2). Polynomial representations for the speed of sound in liquid n -dodecane was fitted by the experimental results, and the average absolute deviation and maximum absolute deviation are 0.70% and 1.96%, respectively. Moreover, the accuracy of the multiparameter equation of state proposed by Lemmon were assessed by the experimental speeds of sound in the whole investigated p - T region.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2020
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IF 2.369
Wenju Liu,Zehua Bao,Yanmin Shen,Yajun Guo
In this work, ternary phase diagrams of telmisartan-saccharin (TEL-SAC) cocrystal in methanol, ethanol, and quasi-ternary sections of the quaternary system TEL-SAC–chloroform–methanol were determined at 298.15 and 308.15 K. The results show that the stable region of cocrystal is greatly biased towards SAC in methanol and ethanol; this is due to the large solubility difference between TEL and SAC. In the mixed solvent of chloroform and methanol, the cocrystal stable region appears at the center of the whole phase diagram when the mass fraction of chloroform is 80%, which indicated that the solubility difference between TEL and SAC in the mixed solvent was relatively small. Moreover, the solubility behavior of TEL-SAC cocrystal was studied and the results showed that the solution complexation model in methanol and ethanol was 1:1 + 1:2, and the complexation model in chloroform and binary mixtures of chloroform/methanol was 1:1.
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Materials Reports: Energy
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2025
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IF 13.8
Xuantian Feng,Minjie Hou,Bowen Xu,Yiyong Zhang,Da Zhang,Yun Zeng,Yong Lei,Feng Liang
Sodium-ion batteries (SIBs) are emerging as a promising alternative for large-scale energy storage, particularly in grid applications. Within the array of potential cathode materials, Fe/Mn-based layered oxides are notable for their advantageous theoretical specific capacity, economic viability, and environmental sustainability. Nevertheless, the practical application of Fe/Mn-based layered oxides is constrained by their suboptimal cycle performance and rate capability during actual charging and discharging. Ion doping is an effective approach for addressing the aforementioned issues. In this context, we have successfully developed a novel K + and Mg 2+ co-doped P2-Na 0.7 Fe 0.5 Mn 0.5 O 2 cathode to address these challenges. By doping with 0.05 K + and 0.2 Mg 2+ , the cathode demonstrated excellent cycling stability, retaining 95% of its capacity after 50 cycles at 0.2C, whereas the undoped material retained only 59.7%. Even within a wider voltage range, the co-doped cathode retained 88% of its capacity after 100 cycles at 1C. This work integrated Mg 2+ to activate oxygen redox reactions in Fe/Mn-based layered cathodes, thereby promoting a reversible hybrid redox process involving both anions and cations. Building on the Mg doping, larger K + ions were introduced into the edge-sharing Na + sites, enhancing the material's cyclic stability and expanding the interplanar distance. The significant improvement of Na + diffusion coefficient by K + /Mg 2+ co-doping has been further confirmed via the galvanostatic intermittent titration technique (GITT). The study emphasizes the importance of co-doping with different coordination environments in future material design, aiming to achieve high operating voltage and energy density.
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CERAMICS INTERNATIONAL
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2024
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IF 5.1
Halizati Abulimiti,Aierken Sidike,He Jiuyang
Highly efficient blue-cyan phosphors can fill the cyan gap in conventional white light-emitting diode (LED) devices to improve the spectral continuity while effectively increasing the white LED colour rendering index (Ra). In this study, Ba 0·94 Al 2- x Ga x Si 2 O 8 :0.06Ce 3+ , M + (Li, Na, K, x = 0–0.8) blue-cyan phosphors with a feldspar structure were prepared by a high-temperature solid-phase method using charge compensation and cation substitution strategies. The barium (Ba) vacancy due to the charge-imbalance substitution of Ce 3+ is compensated by the different charge compensators Li + , Na + , and K + . The charge compensators affect the luminescence performance of the samples, with the K + -compensated samples showing the greatest enhancement, with intensities up to 1.8 times that of the uncompensated samples. The cation substitution strategy using Ga 3+ to partially replace Al 3+ further improves the luminescence performance of the Ba 0·94 Al 2 Si 2 O 8 :0.06Ce 3+ , 0.04 K + sample, and the excitation band is also improved. In this case, the luminescence intensity of the Ba 0·94 Al 2 Si 2 O 8 :0.06Ce 3+ luminescent material is increased by a factor of 6, and a broadband blue-cyan phosphor with a full-width at half-maximum of 118 nm containing blue, cyan and green is obtained. The co-doping of charge compensators and partial cation substitution improved the luminescence performance of phosphors. The representative sample Ba 0·94 Al 1.6 Ga 0.4 Si 2 O 8 :0.06Ce 3+ , 0.04 K + has a luminescence intensity at a temperature of 150 °C that is 83.2% of that at room temperature and good thermal stability . The combination of 365 nm near-ultraviolet (NUV) LED chips with Ba 0·94 Al 1.6 Ga 0.4 Si 2 O 8 :0.06Ce 3+ , 0.04 K + and the commercial red powder (Ca, Sr)AlSiN 3 :Eu 2+ yields a white LED device with an Ra of up to 93 and a correlated colour temperature (CCT) of 4825 K. These results show that the blue-cyan phosphor complements the cyan component while simplifying the manufacturing process of white LEDs.
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INORGANIC CHEMISTRY
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2025
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IF 4.7
Qian Wu,Tianyu Wang,Jingfang Zhou,Pifu Gong,Haochen Li,Haotian Tian,Mingjun Xia
With the increasing significance of the laser industry, especially in the 3–5 μm range, mid-infrared (mid-IR) nonlinear optical (NLO) crystals have become crucial components to meet stringent requirements. Herein, a large birefringence is essential for a mid-IR NLO crystal, as it ensures the phase-matching condition for high-conversion efficiency in laser output operation. In this study, three vanadium selenites A(VO2)3(SeO3)2 (A = NH4+, K+, and H3O+) with hexagonal tungsten oxide-related structures were prepared, featuring two-dimensional layered structures composed of two second-order Jahn–Teller (SOJT) motifs: distorted VO6 octahedra and SeO3 pyramids. Owing to the highly anisotropic VO6 octahedra and SeO3 pyramids, the family of A(VO2)3(SeO3)2 (A = NH4+, K+, and H3O+) crystals shows significant birefringence, which represents the highest birefringence value among vanadium selenites, even surpassing some SOJT-cation-based oxides. In addition, the title crystals exhibit large second harmonic generation responses of powder of 0.28–0.58 × AgGaS2 (AGS) at 2.09 μm.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2025
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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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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2017
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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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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2023
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IF 2.6
Lingli Zhang,Chunjuan Huang
The solubility of 2-amino-5-bromopyrazine in the co-solvent mixtures of methanol, ethanol, isopropanol, and propylene glycol (PG) plus water and 10 monosolvents (methanol, ethanol, isopropanol, N,N-dimethylformamide (DMF), n-propanol, n-butanol, acetone, ethylene glycol (EG), PG, and water) was experimentally measured by the isothermal method at 278.15–323.15 K under 101.2 kPa. The temperature dominated the trend of solubility of 2-amino-5-bromopyrazine in pure and mixed solvents, especially high temperatures had a positive effect on dissolution. For the pure solvent system, the maximum solubility was obtained in DMF. For the mixed systems, isopropanol + water was superior to the other three combinations. The Apelblat model, van’t Hoff model, and NRTL model were used to correlate the solubility of 2-amino-5-bromopyrazine in 10 monosolvents. Furthermore, three thermodynamic co-solvency models including the Jouyban–Acree (JA) model, the Van’t Hoff–Jouyban–Acree (VJA) model, and the modified Apelblat–Jouyban–Acree (AJA) model were used to calculate the solubility data. This study would be helpful to the synthesis and purification processes of the final product.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2022
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IF 3.119
Ziyu Zhuang,Dongdong Li,Jinshun Lei,Dandan Gao,Dewen Zeng
Highly concentrated boron is widespread in salt lake brine and nuclear wastewater. Treatment of these aqueous solutions involves the solubility of extensive boron-containing minerals. Recently, we concentrated on the temperature-dependent solubility of the H3BO3 + salt + water system. Here, we systematically determined the ternary solubility isotherms in the H3BO3 + RbCl + H2O and H3BO3 + NH4Cl + H2O systems at T = (273.15, 298.15, 323.15, 348.15 and 363.15) K, using an isothermal equilibrium method. The results showed that both ternary systems belonged to a simple eutectic case. The solubility isotherms consisted of the solubility branches of H3BO3(cr) and RbCl(cr) or NH4Cl(cr). Using a revised Pitzer–Simonson–Clegg (rPSC) model implemented in the ISLEC software, these ternary solubility data were represented by fitting the interaction parameters between H3BO3 and RbCl and H3BO3 and NH4Cl. With the help of these models, polythermal phase diagrams of the two ternary systems are predicted.
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SCIENCE OF THE TOTAL ENVIRONMENT
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2022
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IF 10.753
Tongtong Wang,Jiyong Zheng,Jinjun Cai,Qiangqiang Liu,Xianxia Zhang
To improve the performance of graphitic carbon nitride (g-C 3 N 4 ), a hotly researched metal-free photocatalyst, for better application in the efficient removal of organic pollutants, adsorption synergistically enhanced photocatalysis mechanism was thoroughly explored. Based on KOH pore-forming activated biochar (ACB) and K + doped g-C 3 N 4 (K-gC 3 N 4 ), the novel activated biochar-based K-gC 3 N 4 composite (ACB-K-gC 3 N 4 ) was synthesized via the innovative ultrasonic-milling method. Rhodamine B (RhB), tetracycline (TC), norfloxacin (NOR), and chloramphenicol (CAP) were selected as target pollutants, and the effects of environmental factors, recycling and actual wastewater tests, disinfection effects, and various enhancement strategies were investigated. The results showed that K-gC 3 N 4 was successfully composited with ACB by various characterizations, where the loading mass ratio of 1:2 exhibited the best performance. ACB-K-gC 3 N 4 possessed a larger specific surface area, richer functional groups, suitable band gap (2.29 eV), and broader visible light absorption (~716 nm) than K-gC 3 N 4 . ACB-K-gC 3 N 4 presented effective removal efficiency over K-gC 3 N 4 for four pollutants, in which the removal efficiency of RhB reached 93.26%, and the degradation rate constant of 0.0119 min −1 was four times higher than K-gC 3 N 4 (0.0029 min −1 ). Moreover, ACB-K-gC 3 N 4 was superior to K-gC 3 N 4 in disinfecting S. aureus and E. coli , with a sterilization rate of exceeding 90% for 12 h. The photodegradation activity was dominated by · O 2 − , h + , and · OH, and the mechanisms involved in the three stages. This was attributed to the unique structure and surface properties (defects and persistent free radicals) of ACB, as evidenced by improved adsorption stage and transfer of degradation intermediates, facilitated the generation of active species, accelerated migration of photogenerated electrons, and inhibited photogenerated carriers recombination by the heterojunction . The good reusability and stability, enhancement strategies (blowing air and heating), and satisfactory feasibility for actual wastewater allow ACB-K-gC 3 N 4 possible to promote high-concentration wastewater treatment and disinfection.
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Energy Storage Materials
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2021
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IF 17.789
Xian-Zhi Zhai,Jin Qu,Juan Wang,Wei Chang,Hong-Jun Liu,Yu-Hao Liu,Hongfu Yuan,Xiaofeng Li,Zhong-Zhen Yu
ABSTRACT Structural unsteadiness and limited electrochemical kinetics upon cycling seriously impede further applications of birnessite cathodes for rechargeable aqueous zinc‑ion batteries (ZIBs), even though they have high voltage platforms and distinctively layered structures for preferable (de)intercalation of zinc ions. Herein, yolk-shell structured K-birnessite (K 0.48 Mn 2 O 4 ·0.49H 2 O)@mesoporous carbon nanospheres (KMOH@C) with rich oxygen vacancies are synthesized for the first time with a two-step diffusion-driven strategy of hydrothermal synthesis followed by etching with KOH. The transport of reaction ions is regulated by surface charge and pore structure of the carbon shells, thus K-birnessite is preciously transferred into the hollow mesoporous carbon (HMC) nanospheres. Furthermore, the etching effect of KOH and the confinement effect of HMC nanospheres generate intercalated K + and abundant oxygen vacancies into KMOH, leading to an excellent electrochemical kinetics. Meanwhile, HMC nanospheres also endow rapid electron/ion transport and stabilize the crystal structure of K-birnessite. Therefore, KMOH@C exhibits superior electrochemical performances with high reversible capacities of 412.7 and 122.2 mA h g ‒1 at 0.5 and 10.0 A g ‒1 than reported cathodes, respectively. Moreover, an exceptional cyclability of 129.6 mA h g ‒1 even after 6000 cycles at 3.0 A g ‒1 is achieved, making the KMOH@C cathode highly competitive for eco-friendly aqueous ZIBs.
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JOURNAL OF CHEMICAL THERMODYNAMICS
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2021
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IF 3.178
Qi-Chao Yang,Dong-Fang Qiu,Yuan-Lin Dang,Zhan-Ping Qiao,Zhi-wei Xu
Two equilibrium diagrams of the ternary system (CsX + MnX 2 + H 2 O, X = Cl, Br) at 298.15 K are reported in this paper. Each system has two double salts (CsMnX 3 ·2H 2 O and Cs 2 MnX 4 ·2H 2 O X = Cl, Br) in it and the elements of all double salts in phase diagrams are confirmed by Schreinemaker method. Equilibrium phase diagrams show that the chloride double salts are congruently soluble compounds in water, however that the bromide double salts are incongruently soluble compounds in water. All the double salts are characterized by titrimetric analysis, powder X-ray diffraction, thermogravimetric and differential thermalanalysis. The enthalpies of formation of these double salts are first calculated by measuring their enthalpies of dissolution.
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