JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Yifan Li,Sifan Wang,Jiangbo Chen,Huan Zhou
Boron-containing brines are widely distributed in nature, and within the pH range of salt lakes, B4O72– is one of the primary boron forms. To express the brine properties and phase equilibrium behavior of boron-containing brine systems, experiments and thermodynamic research based on the eNRTL framework were carried out. Tetraborate aqueous systems are focused in this study: (1) the phase diagram data of K2B4O7–K2SO4–H2O and K2B4O7–K2SO4–KCl–H2O systems at 298.15 and 323.15 K were experimentally determined; (2) the heat capacity of the B4O72– ion was determined via simultaneously fitting the thermodynamic property and solubility data of Li2B4O7, Na2B4O7 and K2B4O7 aqueous systems; (3) the liquid parameters (interaction parameters between water–ionic pair and ionic pair–ionic pair) and solid parameters (ΔfGk°, ΔfHk°, ΔCp,k°) for three binary systems (Li2B4O7–H2O, Na2B4O7–H2O, K2B4O7–H2O) and two ternary systems (K2B4O7–K2SO4–H2O, K2B4O7–KCl–H2O) were determined by fitting the multitemperature phase diagram data; and (4) the complete structures of the phase diagram for the ternary and quaternary systems were predicted. The results demonstrate that (1) the models can effectively describe the solution properties and solid–liquid phase equilibrium behavior of tetraborate-containing aqueous systems, (2) the parameters exhibit thermodynamic consistency, and (3) the predicted complete phase diagram is reasonable.
研究领域:
化学
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地球科学
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环境科学
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2021
·
IF 3.178
Tao Zhang,Lan Yang,Dan Li,Lingzong Meng,Yafei Guo,Tianlong Deng
The pH values, solubilities and water activities in the system LiB(OH) 4 –NaB(OH) 4 –H 2 O at 323.15 K were investigated. The mole fractions of boron species were calculated in the aqueous borate solutions, and the distribution and relevant mechanism were also discussed. The solubility diagrams in the ternary system were drawn at 323.15 K. The phase diagram consists of two single salt regions for LiB(OH) 4 and NaB(OH) 4 ·2H 2 O, one invariant point co-saturated with the above salts. On the basis of the Pitzer model, the Pitzer binary parameters and mixing parameters were fitted with the water activities, saturated vapour pressure and solubilities in the ternary system. The dissolution equilibrium constants ( K sp) of LiB(OH) 4 and NaB(OH) 4 ·2H 2 O were calculated using the experimental solubility data. The calculated solubilities with the parameters and K sp agree well with the experimental data.
研究领域:
物理化学
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热力学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2020
·
IF 2.888
Sa-Ying Li,Pan Liang
Two alkaline-earth metal borates BaZn 2 B 2 O 6 with NLO property and Ba 2 Cd(B 3 O 6 ) 2 with birefringent property have been synthesized and characterized by XRD, FT-IR, and chemical analysis. The molar enthalpies of solution of BaZn 2 B 2 O 6 (s) and Ba 2 Cd(B 3 O 6 ) 2 (s) in 2.00 mL of 1 mol·dm −3 HCl(aq) were measured by microcalorimeter at T = 298.15 K, respectively. The molar enthalpies of solution of CdCl 2 ·2.5H 2 O(s) and ZnO(s) in the mixture solvent of 2.00 mL of {1 mol·dm –3 HCl + H 3 BO 3 + Ba(OH) 2 ·8H 2 O} (aq) were also measured, respectively. With the incorporation of the previously determined enthalpies of solution of H 3 BO 3 (s) in 2.00 mL of 1 mol· dm –3 HCl (aq), Ba(OH) 2 ·8H 2 O) in the mixture solvent of (2.00 mL of 1 mol·dm −3 HCl + H 3 BO 3 ) (aq), together with the standard molar enthalpies of formation for CdCl 2 ·2.5H 2 O(s)/ZnO(s), Ba(OH) 2 ·8H 2 O(s), H 3 BO 3 (s), HCl (aq) and H 2 O (l), the standard molar enthalpies of formation of – (2703.0 ± 2.2) kJ·mol −1 for BaZn 2 B 2 O 6 (s) and – (5625.26 ± 5.1) kJ·mol −1 for Ba 2 Cd(B 3 O 6 ) 2 at T = 298.15 K were obtained on the basis of the appropriate thermochemical cycles.
研究领域:
无机化学
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物理化学
✓ 已验证
DOI
高影响因子
JOURNAL OF APPLIED PHYSICS
·
2014
·Vol. 115
·期 4
·
IF 2.185
Wang Pei,He Duanwei,Xu Chao,Ren Xiangting,Lei Li,Wang Shanmin,Peng Fang,Yan Xiaozhi,Liu Dongqiong,Wang Qiming,Xiong Lun,Liu Jing
Angle-dispersive synchrotron X-ray diffraction measurements were performed on vaterite-type YBO 3 /Eu 3+ , GdBO 3 , and EuBO 3 , respectively, up to 41 GPa at room temperature using a diamond-anvil cell. Pressure-induced amorphization was observed in hexagonal GdBO 3 with a significant compression along the c -axis. Compared to the ions of the distorted GdBO 3 phase, its anions may lose their long-range order prior to the cations at high pressures. Based on the experimental pressure-volume data, the obtained bulk moduli of YBO 3 /Eu 3+ and GdBO 3 are 329 and 321 GPa, respectively, which are more than 90% larger than that of EuBO 3 (167 GPa) and are presumably attributed to Gd 3+ and Y 3+ with a high density of d valence electrons.
研究领域:
材料科学
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物理学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2016
·
IF 2.196
Pan Liang,Jie Wang,Zhi-Hong Liu
A pure zinc borate, Zn[B 12 O 14 (OH) 10 ], has been synthesized and characterized by XRD, FT-IR, simultaneous TG-DTA techniques, and chemical analysis. The molar enthalpy of solution of Zn[B 12 O 14 (OH) 10 ] (s) in 1 mol·dm −3 HCl(aq) was measured by microcalorimeter at T = 298.15 K. The molar enthalpy of solution of ZnO(s) in the mixture solvent of 2.00 cm 3 of 1 mol·dm −3 HCl(aq) and calculated amount of H 3 BO 3 was also measured. With the incorporation of the previously determined enthalpy of solution of H 3 BO 3 (s) in 1 mol·dm −3 HCl(aq), together with the use of the standard molar enthalpies of formation for ZnO(s), H 3 BO 3 (s), and H 2 O(l), the standard molar enthalpy of formation of −(9646.6 ± 9.6) kJ·mol −1 at T = 298.15 K was obtained on the basis of an appropriate thermochemical cycle. In addition, the molar enthalpy of formation of −9492.7 kJ·mol −1 for [B 12 O 14 (OH) 10 ] 2− has also been estimated by a group contribution method, which has been used to predict the Δ f H m θ of a series of transition metal borates of M[B 12 O 14 (OH) 10 ] (M II = Mn, Zn, Fe, Co, Ni). These estimated data have been used to further compare the stability of this series of transition metal borates.
研究领域:
无机化学
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物理化学
✓ 已验证
DOI
高影响因子
JOURNAL OF SOLID STATE CHEMISTRY
·
2019
·
IF 2.291
Yucheng Hao,Linbo He,Guangjie Ge,Quanzheng Zhang,Ningjing Luo,Shuping Huang,Haijian Li,Evgeny V. Alekseev
Investigation of the Pt-B-O system reveals the first magnesium platinum borate Mg 3 Pt(BO 3 ) 2 O 2 obtained from the high temperature flux method. The compound crystallizes in the centrosymmetric monoclinic space group C 2/ m (no. 12) with the lattice parameters of a = 16.8073(8) Å, b = 3.10610(1) Å, c = 5.2107(2) Å, and β = 90.546(4)° (Z = 2). The crystal structure of Mg 3 Pt(BO 3 ) 2 O 2 is based upon isolated BO 3 triangles and PtO 6 and MgO 6 octahedra . The PtO 6 octahedra are connected with each other in an edge-sharing manner forming one dimensional (1D) chains. Each of the PtO 6 octahedra links with two BO 3 units to form anionic [Pt(BO 3 ) 2 O 2 ] 6- chains along the b -axis. MgO 6 octahedra are arranged in the form of two dimensional (2D) layers. The 2D MgO 6 layers are further connected by the anionic [Pt(BO 3 ) 2 O 2 ] 6- chains into the 3D framework structure of Mg 3 Pt(BO 3 ) 2 O 2 . The material was experimentally and theoretically characterized in regards to its optical and spectroscopic properties.
研究领域:
材料科学
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晶体学
✓ 已验证
DOI
高影响因子
CRYSTAL GROWTH & DESIGN
·
2023
·
IF 3.8
Xu-Yan Li,Chong-An Chen,Guo-Yu Yang
Two novel borates, KCaB5O8(OH)2 (1) and K2Cs3[{Al2[B5O9(OH)]2}{B5O8(OH)2}] (2), have been synthesized under medium-temperature solvothermal conditions. 1 is a 2D B–O monolayer with rectangular eight-membered ring (8-MR) windows built by B5O10(OH)2 clusters acting as 4-connected nodes, in which two types of B5O10(OH)2-based chains ([B5]-I and [B5]-II) strictly alternately connect to form a 2D wavy layer. The adjacent layers in 1 stack in the simple -AAA- mode. Compound 2 features a 3D porous-layered aluminoborate (ABO) built by three types of structural building units (SBUs) including AlO4 units and B5O9(OH) and B5O8(OH)2 clusters, in which the AlO4 units and B5O9(OH) clusters connected to form the ABO layers, and the B5O8(OH)2 clusters as 2-connected nodes link the adjacent ABO layers to make the 3D porous layer and further stack in the -AAA- mode. Structure changes from layer 1 to the porous layer 2 show the effectiveness of the synthesis strategy by inducing AlO4 units into the B–O network system, resulting in significant implications for enriching the structural chemistry of borates and ABOs. The UV–vis diffuse reflectance measurements show that both 1 and 2 have wide UV transparency windows below 200 nm. Density functional theory (DFT) calculations indicate the top of the valence band (VB) and the bottom of the conduction band (CB) for both compounds determined by the B–O interaction. This reveals that the introduction of Al as a framework heteroatom into the B–O system can still maintain the broadband gap advantage of borates.
研究领域:
无机化学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL THERMODYNAMICS
·
2020
·
IF 2.888
Lele Chen,Xiuxiu Yang,Yafei Guo,Tianlong Deng,Dan Li,Lingzong Meng
The solubility corresponding solution physicochemical properties (densities, refractive indices and pH) in the quaternary system (NaCl + NaBO 2 + Na 2 B 4 O 7 + H 2 O) were investigated at 298.15 K by the isothermal dissolution equilibrium method. The dry-salt phase diagram, water content diagram, refractive index diagram and pH diagram were drawn. There are four crystallization fields corresponding to NaCl, NaBO 2 ·4H 2 O, Na 2 B 4 O 7 ·10H 2 O, NaCl·NaBO 2 ·2H 2 O, five univariant curves and two invariant points in the phase diagram of the quaternary system. The solubility, concentrations of boron species B(OH) 3 , B(OH) 4 − , B 3 O 3 (OH) 4 − , B 4 O 5 (OH) 4 2− and OH − in the system were calculated using the Pitzer model. The variation trends for calculated solubility curves and pH curves are consistent with the experimental results. The distributions of different boron species were obtained in the mixed borate solution. The distributions of four boron species were obtained in the mixed borate solution. The main boron species in the mixed borate solution are B(OH) 4 − and B 4 O 5 (OH) 4 2− . The mole fractions of the four boron species are mainly affected by m (B) in the solution but less by m (Cl − ).
研究领域:
化学热力学
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无机化学
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2023
·
IF 3.8
Xiaojian Zhang,Zhiqin Zhang,Yamin Feng,Honglei Yuan,Gaoliang Wang
Bi 3+ activated Ba 3 Lu 2 B 6 O 15 phosphors were synthesized by sintering at 910 °C for 24 h under air in a muffle furnace. The phase, luminescence properties and potential applications in LED devices were investigated. X-ray diffraction results indicate the successful doping of Bi 3+ ions in Ba 3 Lu 2 B 6 O 15 host. The diffuse reflectance and excitation spectra demonstrate the excitability on UV light. Upon the excitation at 365 nm, the Bi 3+ activated Ba 3 Lu 2 B 6 O 15 phosphors show narrowband blue emission with the peak at 417 nm. The highest emission intensity with the quantum yield of 85.7% and ΔE a value of 0.215 eV is generated by the Ba 3 Lu 1.90 Bi 0.10 B 6 O 15 phosphor. The light characteristics of the UV-pumped LED devices containing the Ba 3 Lu 1.90 Bi 0.10 B 6 O 15 phosphor demonstrate the potential application of Bi 3+ activated Ba 3 Lu 2 B 6 O 15 phosphors in the lighting field.
研究领域:
材料科学
·
光学
✓ 已验证
产品关联
DOI
高影响因子
FIRE AND MATERIALS
·
2024
·Vol. 48
·期 6
·657-667
·
IF 2
Bin Zhang,Shaohua Zeng
The properties and structure of flexible PVC by incorporating zinc borate (ZB)-modified diantimony trioxide (Sb 2 O 3 ) were investigated. The results of flame retardancy and smoke suppression testing indicate that there was an obvious maximum Limited oxygen index (LOI) value of PVC/20 wt.% ZB–Sb 2 O 3 composites reached 37.5% and passed the UL 94 V-0 rating. An obvious synergistic effect between ZB and Sb 2 O 3 was observed by LOI, SDR, and TG. Moreover, remarkable decreases in the smoke density were observed when ZB–Sb 2 O 3 was incorporated into PVC. In addition, the tensile strength and elongation at break of PVC/ZB–Sb 2 O 3 composites was higher than PVC/Sb 2 O 3 composites, and this ameliorative effect was mainly arising from the ZB–Sb 2 O 3 nanoparticles, which reduced the degree of fatal defects on PVC. The addition of ZB and Sb 2 O 3 greatly increased the amount of residual char and apparently improved the mechanical properties of PVC composites. According to scanning electron microscopy photographs of residual char, after thermal decomposition, there were many fragments linked to the condensed phase and the compact char layer. Fourier transform infrared spectroscopy shows the residues char was composed of benzene ring, the flame retardants occurred and the condensed phase with significant interactions.
研究领域:
材料科学
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
·
2024
·
IF 1.8
Jia-Yue Wang,Chen Yan,Han Sen-Jian,Guo Ya-Fei,Wang Shi-Qiang
To achieve efficient separation of alkali metal borate resources from the brines of the salt lake to provide a theoretical basis, this paper adopts the isothermal dissolution equilibrium method to study the solid-liquid phase equilibrium and phase diagram of the ternary system (LiB 5 O 8 + KB 5 O 8 + H 2 O) and (LiB 5 O 8 + NaB 5 O 8 + H 2 O) at 288.15 K. The study grasps the changing law of solubility and physicochemical properties of the system, as well as analyses and identifies the solid phase in stable equilibrium. The results show that the stable phase diagrams of the two ternary systems at 288.15 K are of the simple eutectic type, containing one invariant point, two univariate saturated solubility curves, and two crystalline regions. Among them, the crystalline region of LiB 5 O 8 ·5H 2 O is the smallest, indicating that it is not easy to precipitate from the saturated liquid phase, and the density and refractive index curves of each system show regular changes with the increase of LiB 5 O 8 content.
研究领域:
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
Yang Lv,Ning Li,Mei Tang,Zhi-Hong Liu
Two pure hydrated aluminoborates with microporous structure, K 2 [Al(B 5 O 10 )] · 4H 2 O and (NH 4 ) 2 [Al(B 5 O 10 )] · 4H 2 O, have been synthesized and characterized by XRD, FT-IR, DTA-TG techniques and chemical analysis. The molar enthalpies of solution of K 2 [Al(B 5 O 10 )] · 4H 2 O (s) and (NH 4 ) 2 [Al(B 5 O 10 )] · 4H 2 O (s) in 1 mol · dm −3 HCl (aq) were measured to be −(88.65 ± 0.25) kJ · mol −1 and −(93.37 ± 0.25) kJ · mol −1 , respectively. The molar enthalpies of solution of AlCl 3 ·6H 2 O (s) in (HCl + H 3 BO 3 + KCl) (aq) and in (HCl + H 3 BO 3 + NH 4 Cl) (aq) were measured, respectively. With the incorporation of the previously determined enthalpy of solution of H 3 BO 3 (s) in 1 mol · dm −3 HCl (aq), together with the use of the standard molar enthalpies of formation for AlCl 3 ·6H 2 O (s), KCl (s)/NH 4 Cl (s), H 3 BO 3 (s), HCl (aq), and H 2 O (l), the standard molar enthalpy of formation of −(6029.8 ± 4.1) kJ · mol −1 for K 2 [Al(B 5 O 10 )] · 4H 2 O (s) and −(5775.0 ± 4.1) kJ · mol −1 for (NH 4 ) 2 [Al(B 5 O 10 )] · 4H 2 O (s) at T = 298.15 K were obtained on the basis of the appropriate thermochemical cycles. Moreover, Δ f H m o ([Al(B 5 O 10 )] 2− ) of −4355.3 kJ · mol −1 has also been estimated by a group contribution method, which can be used to predict the standard molar enthalpies of formation of other aluminoborates containing [Al(B 5 O 10 )] 2− anionic framework.
研究领域:
材料科学
·
物理化学
✓ 已验证
DOI
高影响因子
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