JOURNAL OF MOLECULAR LIQUIDS
·
2018
·
IF 4.513
Dan Li,Lingzong Meng,Tianlong Deng,Yafei Guo,Yu Pan
The solubilities and refractive indices of the NaBr–SrBr 2 –H 2 O and KBr–SrBr 2 –H 2 O systems at 288.15 K were investigated with the isothermal dissolution method. The phase diagrams and refractive index diagrams were plotted for the two systems at 288.15 K. The phase diagrams consist of one two-salt cosaturated invariant point , two univariant solubility isotherms, and two stable crystallization fields. The two systems belong to the simple eutectic type, and neither double salt nor solid solution was found. The refractive indices change regularly with the strontium bromide concentration increasing in solution, and reach the maximum value at the eutectic point. On the basis of Pitzer and Harvie-Weare (HW) model, the binary and mixing Pitzer parameters and solubility equilibrium constants of equilibrium solid salts for the two ternary systems at 288.15 K were acquired. And then, the solubilities for the ternary systems at 288.15 K were demonstrated. A comparison shows that the calculated solubilities agree well with the experimental data.
研究领域:
化学热力学
·
溶液化学
·
相平衡
·
无机化学
·
热力学建模
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高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
·
IF 2.4
Ya-Li Wang,Rui-Zhi Cui,Hong-Bao Ren,Qiu-Ye Yang,Wu Li
This study addresses the unclear crystallization behavior of rubidium in chlorobromine coexisting brine systems through experimental and simulation approaches. First, the phase equilibrium data of the ternary system RbCl–RbBr–H2O at 298.15 K were determined using the isothermal dissolution equilibrium method, and the corresponding phase diagram was constructed. The solid phase was characterized by XRD and SEM-EDS, and solubility was theoretically calculated and validated using the Pitzer model. To further elucidate the solid-solution formation behavior of rubidium in chlorobromine coexisting brine systems at the microscopic level, molecular dynamics simulations were performed. Combined with the previously reported phase diagrams of MCl–MBr–H2O systems (M = Li+, Na+, K+, NH4+), the radial distribution functions, coordination numbers, and mean square displacements of different systems were systematically analyzed to examine the differences in ionic hydration structures and migration behavior. From macroscopic phase equilibria to microscopic ion dynamics, this study systematically clarifies the common patterns of formation of continuous solid solutions in chlorobromine coexisting brine systems.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
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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高影响因子
ACS Omega
·
2019
·
IF 2.584
Xianzhen Xu,Yan Wang,Xiangyu Sun,Yu Zhou
Vapor–liquid equilibrium (VLE) data are measured and reported for the LiCl + CaCl2 + H2O system. The experimental procedures were carried out with pressures between 6 and 101.3 kPa in a computer-controlled glass apparatus. We obtained the relationship between solubility of salt and vapor pressure by analyzing and summarizing the results. Then, a modified NRTL model based on the hypothesis of hydration was used in this paper. By correlation of literature and experimental data for LiCl + H2O, CaCl2 + H2O, and LiCl + CaCl2 + H2O (pressure spanning from 5 to 101.3 kPa), some parameters were modified for improving the accuracy of the calculation. Meanwhile, the model was successfully applied to predict the VLE data in LiCl + CaCl2 + H2O systems with the modified binary parameters.
研究领域:
化学工程
·
热力学
·
物理化学
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高影响因子
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
·
2017
·
IF 2.536
Cuiping Zhai,Ping Zhang,Peng Peng,Bingbing Hou,Lina Li
The interactions between nicotinamide (NA) and H 2 O were studied using UV–visible spectra (UV–Vis), cyclic voltammetry (CV), nuclear magnetic resonance (NMR), density functional theory (DFT) and atoms in molecules (AIM) analysis. According to the changes of the UV–Vis spectra and the oxidation and reduction potentials in cyclic voltammograms of NA in aqueous solution, it was found that hydrogen bonding occurred between NA and H 2 O molecules. Quantum chemistry calculations and AIM analysis further confirmed the existence of hydrogen bonding between H 2 O molecules and the amide group, the nitrogen atom , and hydrogen atoms on the pyridine ring of NA molecules. In addition, the NMR results demonstrated that the π-π stacking between NA pyridine rings could be formed at higher concentrations.
研究领域:
物理化学
·
超分子化学
·
电化学
·
量子化学
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DOI
高影响因子
Science China-Materials
·
2021
·Vol. 65
·期 3
·764-772
·
IF 8.273
Wei Jun-Hua,Luo Jian-Bin,Liao Jin-Feng,Ou Wei-Tao,Kuang Dai-Bin
Zero-dimensional metal halide perovskites have captured intense research interest owing to their unique optoelectronic properties. Particularly, metal halides with the n s 2 electronic configuration are of great interest owing to the high-temperature sensitivity of their photoluminescence, which could be applied to remote optical thermometry (ROT). Herein, all-inorganic and lead-free halide perovskite Te 4+ -doped Cs 2 InCl 5 ·H 2 O single crystals (SCs) were prepared through the hydrothermal method and showed a strong temperature dependence of photoluminescence lifetime. Upon Te 4+ doping, the nonemissive Cs 2 InCl 5 ·H 2 O SC exhibits a bright orange emission at 660 nm with a wide full width at half maximum of 180 nm. The strong phonon-exciton coupling promotes the formation of self-trapped excitons in the soft lattice of the zero-dimensional Te 4+ -doped Cs 2 InCl 5 ·H 2 O SC. The Te 4+ ions with the 5s 2 electronic configuration endow the Te 4+ -doped Cs 2 InCl 5 ·H 2 O SC with a strong temperature-dependent photoluminescence lifetime. This SC reaches a maximum specific sensitivity of 0.062K −1 at 320 K, thereby showing the potential advantages of indium-based metal halide perovskites in ROT applications.
研究领域:
材料科学
·
光学传感
·
钙钛矿光子学
·
固态化学
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DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2013
·
IF 3.473
Jinhua Wu,Weizhao Yin,Jingjing Gu,Ping Li,Xiangde Wang,Bo Yang
Batch experiment was conducted to evaluate the capability of a biotic Fe 0 –H 2 O for nitrobenzene (NB) removal from groundwater. In this study, iron dosage was 0.25 g L −1 throughout the whole experiment and the Fe 0 –H 2 O system was amended with 180 mg L −1 VSS of mixed culture. The biotic system was tested at low concentrations (50 mg L −1 as COD) of organic substrates (e.g., ethanol, glucose and sodium acetate) and different concentrations of sulfate, nitrate and dissolved oxygen. The bio-iron system exhibited higher NB removal rate and more AN production. The increasing order of efficiency of tested substrates was: glucose > sodium acetate > ethanol. A complicated enhancement from oxygen was obtained, with 100% of NB removal rate and without any AN accumulation in the solution amended by dissolved oxygen. Sulfate and nitrate functioned as inhibitors since they competed with NB for electron donors (H 2 ), and nitrate showed more significant suppression on NB removal as compared to sulfate. AN elimination occurred during both sulfate-reducing and nitrate-reducing processes and microorganisms got extra reduction capacity from the degradation of AN to reduce nitrate and sulfate, causing the mineralization of NB under anaerobic or anoxic conditions. It suggested that the bio-iron treatment could function as a simplified process for the remediation of groundwater contaminated by combined NB and sulfate, nitrate.
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2014
·
IF 2.235
Jiahe Yan,Yucui Hou,Shuhang Ren,Muge Niu,Weize Wu
Because of its controllable and recoverable properties, the H2O–SO2 system was studied as a reaction medium to hydrolyze corn cob to produce chemicals by a two-step treatment. The results indicated that, after the first-step treatment of corn cob, 27.0% xylose, 3.3% glucose, and 3.2% arabinose could be obtained at 140 °C for 1.5 h with 0.024 g/cm3 SO2; after the second-step treatment, 8.6% glucose could be obtained at 190 °C for 0.5 h with 0.048 g/cm3 SO2. The total yield of products by the two-step treatment of corn cob was 48.4%, which was greater than that obtained by the one-step treatment, 32.4% at 190 °C for 0.5 h with 0.048 g/cm3 SO2. Furthermore, the degradation products obtained from the two-step treatment were less than those obtained from the one-step treatment. More importantly, after the reaction, SO2 could be swept by stream stripping and reused.
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RESEARCH ON CHEMICAL INTERMEDIATES
·
2018
·Vol. 44
·期 5
·3455-3474
·
IF 1.674
Sun Xiao,Guo Rui-tang,Li Ming-yuan,Sun Peng,Pan Wei-guo,Liu Shu-ming,Liu Jian,Liu Shuai-wei
Fe was used as the modifier to improve the performance of CeZr 2 O
x
catalyst for the selective catalytic reduction (SCR) reaction with ammonia. Experimental results revealed that proper Fe species (Fe/Ce molar ratio = 2) could effectively improve the SCR activity of CeZr 2 O
x
, along with the elevated resistance to SO 2 and H 2 O. The characterization results including BET, XRD, H 2 -TPR and NH 3 -TPD confirmed that Fe species in Fe 2 CeZr 2 O
x
catalyst could inhibit the formation of ZrO 2 crystals and lead to higher reducibility and surface acidity. In addition, more Ce 3+ and surface active oxygen species could be detected on Fe 2 CeZr 2 O
x
compared with CeZr 2 O
x
. By means of in situ DRIFT technique, it could be deduced that the SCR reaction process over Fe 2 CeZr 2 O
x
was accelerated mainly through theL–H pathway due to the advanced adsorption of NH 3 and NO
x
species, along with the promoted NO conversion to NO 2 . Therefore, the modification of CeZrO
x
catalyst by Fe had a significant stimulation effect on its low-temperature SCR performance.
研究领域:
催化化学
·
环境科学
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DOI
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2025
·
IF 13.2
Yuying Zhao,Fengming Zhou,Qiuyue Liang,Bo Zhang,Peng Wang,Qingliang Lv,Caixia Li,Zhenyu Xiao,Lei Wang
Although the intrinsic layer structure of layered double hydroxide (LDH) is beneficial for more accessible active centers and faster electrolyte ions diffusion rate than closed-packed atom arrangement for achieving higher capacitance, the narrow interlaminar spacing results in inevitable “death volume” during the rapid charging-discharging process. Herein, an electrochemical assistant MOF etching strategy is developed to construct hierarchical porous LDH with pre-embed OH − ions and filled H 2 O molecule in inter-layer space (E-MOF-0.5 V) for unsealing theoretical capacity. According to the valence equilibrium theory, the increased valence of the metal center during electrochemical polarization can accelerate the filling of OH − ions and H 2 O molecules in the LDH inter-layer space. The involved OH − and water molecules can achieve rapid mass transfer processes through ‘‘Newton’s Cradle’’ and the rich pore and ultra-thin layer structure may make sure the active centers are almost completely accessible. Therefore, the optimized E-MOF-0.5 V delivers an outstanding specific capacity of 8547.2 mF cm −2 (2670.9 F g −1 ) at 4 mA cm −2 and maintains an excellent cycling performance of 88 % after 7200 cycles at 20 mA cm −2 . Besides, an E-MOF-0.5 V//rGO-Zn hybrid supercapacitor device is assembled, which presents an energy density of 7.97 mWh cm −2 and a power density of 6.63 mW cm −2 .
研究领域:
材料科学
·
电化学
·
纳米结构
·
储能
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高影响因子
POLYHEDRON
·
2022
·
IF 2.975
Yan-Ling Deng,Wei Li,Chun-Yang Pan
Two new metal hybrid borates , Na[Ni(py) 2 ] 2 ·[(C 4 H 2 O 6 ) 2 B]·H 2 O (py = pyridine) ( 1 ) and [Cu(H 2 O) 2 (1-EI) 4 ]·[B 5 O 6 (OH) 4 ] 2 ·H 2 O (1-EI = 1-ethylimidazole) ( 2 ), have been successfully synthesized. 1 features an interesting structure based on mixed borate-tartrate motifs. Two tartrate anions are condensed with one BO 4 to form the hybrid anionic group [(C 4 H 2 O 6 ) 2 B] 5− . The structure of 2 is composed of [B 5 O 6 (OH) 4 ] − clusters and [Cu(H 2 O) 2 (1-EI) 4 ] 2+ complexes, which exhibits hydrogen-bonded network formed by [B 5 O 6 (OH) 4 ] − clusters. These compounds are further confirmed by FTIR, PXRD and UV–vis. In addition, the catalyst prepared from 2 shows excellent electrocatalytic oxygen reduction reaction (ORR) activity.
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Journal of Materials Chemistry C
·
2018
·Vol. 6
·期 32
·8770-8777
·
IF 5.976
Lixin Hou,Yali Wang,Xianhao Liu,Jia Wang,Lixin Wang,Xiaowei Li,Guangsheng Fu,Shaopeng Yang
The performance of flexible perovskite solar cells (PSCs) is largely lower than that of their glass/ITO counterparts. This is mainly due to the fact that the surface of PET/ITO is rougher than glass/ITO. ITO bulges could cause the upper perovskite crystals to deteriorate, eventually leading to a large leakage current and the low performance of devices. We reduce the leakage current of PET/ITO assembled PSCs by two measures to improve the PCE of the flexible PSCs. First, double hole transport layers of PEDOT:PSS/NiO are deposited on the surface of PET/ITO, that is, a layer of PEDOT:PSS film is first spin-coated on the ITO surface and then a layer of NiO film is evaporated above to cover the small bulges on the bare ITO. Second, the dual additives of DIO and H2O were introduced to the perovskite precursor solution to control the process of crystal formation and grain growth of the perovskite absorber, finally improving the uniformity and sizes of the perovskite crystals. In conclusion, the double hole transport layers and CH3NH3PbI3−xClx perovskites with dual additives produced a perovskite film with low roughness, high uniformity and large crystal grains on PET/ITO, finally achieving flexible PSCs with the best PCE of 18.0% and excellent flexibility. Our approach provides an effective pathway to fabricate highly efficient and large-scale flexible PSCs.
研究领域:
材料科学
·
能源技术
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高影响因子
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