JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2024
·
IF 2
Yueheng Wang,Ziyu Zhuang,Yanfei Fan,Dandan Gao,Dongdong Li
Ammonium ion is of the same charge as alkali ions and with similar ionic radius as potassium, rubidium, and cesium ions. Solid solutions are very common between ammonium and alkali salts, which is of great interest for understanding the geology, soil, and environment fate of these elements. In this study, the solid–aqueous equilibrium in the NH4Cl + RbCl + H2O and NH4Cl + CsCl + H2O systems was determined at 298.15 K. For each system, two incontinuous solid solutions, i.e. (NH4,Rb)Cl(α) and (Rb,NH4)Cl(β), or (Cs,NH4)Cl(α) and (NH4,Cs)Cl(β), presented, and their composition and structure were studied using Schreinemakers’ wet residues analysis, XRD, and Raman characterization. The equilibrium between these solid solutions and aqueous solutions were well modeled using an integrated solution equilibrium calculator program, in which a Pitzer-Simonson-Clegg model and a subregular model were implemented for describing the nonideality of aqueous phase and solid solution. According to the experimental and thermodynamic modeling results, NH4Cl can dissolve RbCl and CsCl in the solid state (NH4,Rb)Cl(α) or (NH4,Cs)Cl(β) with limited solid solubilities of 0.18 or 0.051 in mole fraction, respectively. RbCl or CsCl can also dissolve NH4Cl in the solid state (Rb,NH4)Cl(β) or (Cs,NH4)Cl(α) with limited solid solubilities of 0.37 and 0.095 in mole fraction, respectively.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
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2024
·
IF 2
Shouxiang Jiang,Guangbing Zheng,Xiangyu Sun,Junwei Wang,Haibo Mu,Wenjun Xie,Chengfei Wang,Haoran Li,Xia Jiang,Gengxiu Zheng,Guan Wang
The solubility of paliperidone in 15 pure solvents (methanol, ethanol, i-propanol, n-propanol, n-butanol, n-pentanol, n-hexanol, methyl acetate, ethyl acetate, propyl acetate, butyl acetate, acetone, acetonitrile, tetrahydrofuran, and 1,4-dioxane) was determined using a dynamic laser monitoring method at 0.1 MPa and temperatures ranging from 288.15 to 328.15 K. With increasing temperature, the molar fraction solubility of paliperidone in each solvent also increased. Acetonitrile exhibited the lowest solubility at 288.15 K, whereas 1,4-dioxane showed the highest at 328.15 K. Various models, including the modified Apelblat, Yaws, λh, Wilson, and NRTL models, were applied to correlate and analyze the experimental data. The relative average deviation and root-mean-square deviation indicated strong correlation between experimental and modeled solubility data. Additionally, based on the Wilson model, the thermodynamic analysis of paliperidone dissolution suggested an entropy-driven and spontaneous process, with entropy exerting a greater influence on Gibbs free energy than enthalpy.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2024
·
IF 2
Cheng Yang,Haijun Yan,Qianhe Huang,Wenge Yang,Yonghong Hu
Esculetin is derived from the leaves of lemons of Rutaceae and the bark of bittersweet ash, belladonna, mandala, and Rehmannia plants. In this research, the solubility of esculetin in ten solvents such as ethyl acetate, isobutyl alcohol, water, methanol, acetonitrile, n-propyl alcohol, isopropyl alcohol, n-butanol, ethanol, and acetone was determined by utilizing static equilibrium-high performance liquid chromatography (HPLC) under standard atmospheric pressure conditions and temperatures in the range of 273.15 to 318.15 K. Among the above ten pure solvents, water displayed the least solubility, while methanol exhibited the highest solubility. At the same temperature (T = 273.15 ∼ 318.15 K), the solubility of esculetin increased with the increase of the molar ratio of soluble solvents. Similarly, when the temperature increases (T = 273.15 ∼ 318.15 K), the solubility of the three binary solvents increases under the condition of a constant molar ratio. The above results suggest that the main factor affecting the solubility of esculetin in the solvent may be the polarization/bipolarity of the solvent. The experimental data was fitted by five thermodynamic models (the Buchowski–Ksiazaczak λh model, the Modified Apelblat model, the Jouyban–Acree model, the SUN model, and the CNIBS/R-K model), and the relative average deviation and root-mean-square deviation of the data were calculated, which proved that the correlation of the solubility data and the five models was relatively good. XRD and DSC were used to detect the crystal form and stability of esculetin during the experiment.
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ADVANCED FUNCTIONAL MATERIALS
·
2023
·Vol. 33
·期 34
·2300769
·
IF 19
Hehe Zhang,Zhilin Chen,Zhefei Sun,Mengting Cai,Weicheng Liu,Weibin Ye,Haowen Gao,Jiajia Han,Yong Cheng,Qiaobao Zhang,Ming-Sheng Wang
N-doped carbons, as promising anode materials for energy storage, are generally modified by the additional heteroatoms (B, P, and S) doping to further promote the electrochemical performance. However, the promotion mechanism by such additional doping, especially its interplay with N-containing species, remains unclear. Herein, by adopting N/S co-doped carbon as a model system, it is found that S-doping can significantly improve the content of pyridinic-N, i.e., the most energetically favorable N type for K + storage. Theoretical calculations reveal that such S-induced pyridinic-N improvement possibly originates from its catalytic effect that can facilitate the transition from edge quaternary-N to pyridinic-N. The resultant high content of pyridinic-N, together with the additional S species, ensures abundant active sites for K + storage. Accordingly, the N/S co-doped carbon anode delivers both a high reversible capacity (422.9 mA h g −1 at 0.05 A g −1 ) and an impressive cyclic stability (249.6 mA h g −1 at 1 A g −1 over 4000 cycles). Moreover, in/ex situ characterizations further verify the merits of N/S co-doped carbon from the perspective of compositional evolution and structural stability. This study unravels the origin of enhanced K + storage by N/S co-doping, which also helps to understand the synergistic effects of other heteroatoms co-doping systems.
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JOURNAL OF APPLIED POLYMER SCIENCE
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2025
·
IF 2.8
Yunping Wang,Chenlin Mu,Jingtao Bi,Mengmeng Sun,Yingying Zhao
The monovalent cation exchange membrane (MCEM) plays a crucial role in strategic resource recovery fields such as lithium/magnesium separation and seawater softening. This study proposes a two-stage modification strategy of “nanoparticle deposition – quaternization cross-linking”: first, deposit the Polypyrrole -Polyethyleneimine (PPY-PEI) composite nanoparticles in situ on the commercial Cation Exchange Membrane (CEM) surface, and then undergo quaternization cross-linking to prepare a high-performance monovalent cation exchange membrane (MCEM). The rigid structure of Polypyrrole -Polyethyleneimine (PPY-PEI) nanoparticles completely avoids the traditional problem of monomer penetration, and the rate of membrane pore blockage is significantly reduced. Electrified nanoparticles form gradient nanochannels to achieve dual mechanism synergy: The surface positive charge layer repels and blocks Mg 2+ through the Donnan effect; 2–5 nm mesoporous channels facilitate K + transport through size sieving. Subsequent quaternization crosslinking strengthened the modified layer and increased the positive membrane charge density, leading to further improvement in perm-selectivity. The results show that the modified membrane achieves a breakthrough performance in the separation of K + /Mg 2+ : the selectivity reaches 6.9; the K + flux remains at 0.14/(m 2 ·s). Molecular dynamic simulation of the ion diffusion behavior confirmed that the presence of Polypyrrole -Polyethyleneimine (PPY-PEI) can accelerate the diffusion rate of K + while limiting the transport of Mg 2+ , providing a theoretical basis for the performance prediction of selective ion exchange membranes.
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International Journal of Minerals Metallurgy and Materials
·
2025
·Vol. 32
·期 5
·1103-1113
·
IF 7.2
Wang Yan,Ni Peiyuan,Liu Yuling,Deng Tengfei
The enrichment of chromium in the magnetic iron chromite (Fe(Cr x Fe 1− x ) 2 O 4 ) phase is crucial for the recovery and recycling of chromium in stainless-steel pickling sludge. The kinetics and reaction mechanism of the solid-phase reaction between Fe 3 O 4 and Cr 2 O 3 were investigated using the diffusion couple method at 1473 K. Not only the diffusion behavior of Fe 2+ ions and Cr 3+ ions was elucidated, but also the solid solution behavior of Fe 3+ ions was discussed clearly. The microscopic morphology of the diffusion couple and the change in the concentrations of Fe and Cr cations across the diffusion layers were analyzed using scanning electron microscopy and energy dispersive spectroscopy. The self-diffusion coefficients of cations were calculated based on the concentration profiles of Fe and Cr, with the results indicating that the self-diffusion coefficient of the Fe ions was consistently higher than that of the Cr ions. Additionally, a mixture of Fe 3 O 4 and Cr 2 O 3 was annealed at 1373–1473 K for 1–5 h, and the kinetic parameters were calculated by studying the phase content of the product. The phase content of Fe(Cr x Fe 1− x ) 2 O 4 in the product was determined by Rietveld refinement of X-ray diffraction data, revealing that an activation energy ( E ) of 177.20 kJ·mol −1 and a pre-exponential factor ( B ) of 610.78 min −1 of the solid-phase reaction that produced the Fe(Cr x Fe 1− x ) 2 O 4 spinel.
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ACS Applied Energy Materials
·
2025
·
IF 5.5
Shiqiang Zhong,Jingwei Liu,Yongcong Huang,Yulin Cao,Feng Wu,Xuhui Li,Dawei Luo,Zhouguang Lu,Hua Cheng
Spinel LiMn2O4 (LMO) is a promising fast-charging cathode material because its unique three-dimensional Li-ion diffusion channels offer favorable ionic diffusivity. However, LMO encounters rapid structural degradation at high current densities. To tackle this issue, we introduce K+ ions into the interstitial 16c sites to stabilize LMO, thereby achieving excellent fast-charging capability. The K-LMO retains 75% of its theoretical capacity at an ultrahigh current density of 1.48 A g–1 (10 C, corresponding to a charging time of 5 min). Comprehensive characterizations demonstrate that the incorporation of K+ into LMO expands the LiO4 space, strengthens the Mn–O bonds and suppresses the Jahn–Teller effect, leading to improved Li-ion mobility and enhanced stability of the diffusion channels. Additionally, the volume variation induced by cycling under a high charge state is efficiently suppressed through a solid-solution transition, thus preventing structural degradation against long-term cycling. Given this, this study presents an attractive candidate material for the cathode of fast-charging lithium-ion batteries.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Jingxuan Qiu,Rui Zhang,Chaoqun Zhang,Jing Lin,Cong Liu,Yunchun Guo,Huiliang Wang,Yingxin Xie,Ke Xiao
In this work, the solubility of phenprobamate in water, acetone, 2-butanone, methyl acetate, ethyl acetate, methanol, ethanol, n-propanol, isopropanol, n-butanol, sec-butanol, and 1-pentanol was determined by a static gravimetric method at temperatures ranging from 283.15 to 323.15 K under atmospheric pressure. The solubility magnitudes increase monotonously with the increase of temperature in each solvent. The solubility is roughly ranked as propanone > methyl ethyl ketone > acetic acid methyl ester > ethyl acetate > water in non-alcohol solvents and methanol > 1-pentanol > sec-butanol > ethanol > n-butanol > n-propanol > isopropanol in alcohols. The solubility of phenprobamate could be ultimately determined by the combined influence of solvent polarity, hydrogen bond acceptor propensities, solvent–solvent intermolecular interactions, and spatial steric hindrance. In addition, the solubility data were correlated by the Apelblat model and the Yaws model. The outcomes show that the two models could both satisfactorily fit the experimental data, in which the Yaws model is more appropriate to correlate the solubility of phenprobamate compared with the Apelblat model. The data reported in this work contribute to the further crystallization and separation process of phenprobamate.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Xiangyu Sun,Dongmei Zhang,Yixiao Yang,Xia Jiang,Yimin Zhu,Xiaoyun Sun,Guan Wang
The molar fraction solubility of Nifuratel in 12 monosolvents, including water, methanol, ethanol, isopropanol, acetonitrile, tetrahydrofuran, ethyl acetate, N,N-dimethylformamide, dimethyl sulfoxide, acetic acid, acetone, and dichloromethane, was measured using the gravimetric method from 293.15 to 333.15 K under 101.3 kPa. In all selected solvents, solubility increases with temperature throughout the experimental temperature range. Dimethyl sulfoxide exhibits the highest solubility, with a value 1000 times greater than that of water, which exhibits the lowest solubility. Five thermodynamic models (the modified Apelblat model, Yaws model, λh model, Wilson model, and NRTL model) were selected to correlate the solubility data. All models demonstrate excellent fitting performance, with the empirical models showing particularly superior results. The calculated Hansen Solubility Parameter results suggest that, in most solvents, dispersion forces play a dominant role in the mixing process, except for water, where hydrogen bonding is the primary factor. Additionally, the thermodynamic mixing properties were incorporated into the Wilson model. The calculated results suggest that the mixing process is spontaneous and predominantly entropy-driven.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2011
·
IF 3.068
Wenhui Xiong,Jian Peng,Yongfeng Hu
This paper presents a novel technique integrating bulk-sensitive and surface-sensitive XANES methods to distinguish between physisorption and chemisorption for phosphate adsorption onto ferrihydrite-modified diatomite (FHMD). XANES P K-edge, L-edge, and Fe M-edge spectra were obtained for reference samples (K 2 HPO 4 and FePO 4 ·2H 2 O) and test samples (phosphate adsorbed onto FHMD (FHMD-Ps) and Si-containing ferrihydrite (FHYD-Ps)). A resolvable pre-edge peak in the P K-edge spectra of FHMD-Ps and FHYD-Ps provided direct evidence for the formation of P–O–Fe(III) coordination and the occurrence of chemisorption. The resemblance between the P L-edge spectra of K 2 HPO 4 and FHMD-Ps and the marked difference between the spectra of FHMD-Ps and FePO 4 ·2H 2 O indicated the intact existence of the adsorbate and the adsorbent. The similarity between Fe M-edge spectra of FHMD and FHMD-Ps and the difference between the spectra of FHMD-Ps and FePO 4 ·2H 2 O confirmed the findings from P L-edge analyses. Therefore, chemisorption and physisorption coexisted during phosphate adsorption onto FHMD. Phosphate chemisorption occurred in the deeper zone of FHMD (from 50 nm to 5 μm); whereas physisorption occurred in the zone of FHMD shallower than 50 nm since the probing depth of XANES P K-edge method is 5 μm and that of P L-edge and Fe M-edge methods is 50 nm.
研究领域:
环境化学
·
材料科学
·
表面科学
·
吸附
·
光谱学
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INORGANIC CHEMISTRY
·
2016
·
IF 4.82
Bing-Ping Yang,Chun-Li Hu,Xiang Xu,Jiang-Gao Mao
A new series of platinum iodates, namely, α-(H3O)2Pt(IO3)6, β-(H3O)2Pt(IO3)6, and A2Pt(IO3)6 (A = Na, K, Rb, Cs), have been synthesized. Interestingly, among these six stoichiometrically identical compounds, α-(H3O)2Pt(IO3)6 is polar, whereas other compounds are nonpolar and centrosymmetric. They all consist of zero-dimensional [Pt(IO3)6]2– molecular units separated by H3O+ or A+ cations. All of the lone electron pairs of the IO3– groups are aligned and almost point to one direction for α-(H3O)2Pt(IO3)6, whereas IO3– groups are located trans to each other in other compounds. The material, α-(H3O)2Pt(IO3)6, exhibits very strong second harmonic generation (SHG) effects, approximately 1.2 × KTiOPO4 (KTP), and is phase-matchable. Thermogravimetric analysis, elemental analysis, infrared spectra, UV–vis spectra, nonlinear optical properties, and theoretical calculations are also reported.
研究领域:
材料科学
·
化学
·
光学
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2018
·
IF 2.196
Zhizhen Qin,Siyuan Gong,Xiangwen Zhang,Qincheng Bi,Zhaohui Liu,Guozhu Liu
Density is one of the most important thermophysical properties of aviation fuel for the advanced fuel-cooled thermal management. The density of a hydrocarbon fuel JP-10 was measured using a gamma-ray radial method calibrated with deionized water, cyclohexane, and a mixture of n-heptane and n-octane. The average absolute deviation (AAD) of deionized water is 0.22% under 3.0 MPa and 0.43% under 5.0 MPa, that of cyclohexane is 0.80% under 5.0 MPa, and that of the mixture of n-heptane and n-octane is 0.33% under 5.1 MPa. The experimental density of JP-10 was reported at 267 to 873 K under the pressure of 0.70 to 6.00 MPa. Two empirical correlations were used to fit the liquid and gas density data separately. The results are that the AAD for all the liquid data is 0.46%, and that for all the gas data is 6.12%. Finally, the isobaric thermal expansion was calculated.
研究领域:
热力学
·
能源工程
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