THERMOCHIMICA ACTA
·
2019
·
IF 2.251
Pengshuai Zhang,Jiao Sha,Yameng Wan,Chi Zhang,Tao Li,Baozeng Ren
The solubility of levamisole hydrochloride (LH) in binary {methanol (MT) + ethanol (EA), methanol (MT) + 2-propanol (IPA)} solvent mixtures from 283.15 K to 323.15 K and dimethyl sulfoxide (DMSO) + ethanol (EA) from 293.15 K to 333.15 K were obtained under the pressure of 0.1MPa by using a dynamic method. Moreover, the experimental solubility results of LH in this work were correlated well with five thermodynamic models namely “Yaws model, van’t Hoff model, Universal Quasi-Chemical (UNIQUAC) model, non-random two liquid (NRTL) model and general single (GSM) model”. The minimum RMSD and ARD are 0.0064 and 0.17 respectively and they are both calculated with the GSM model. Besides, the apparent thermodynamic properties of LH in the selected binary solvent mixtures were discussed. Analysis results showed that enthalpy-favored mechanism plays a major role in the dissolution process of LH.
研究领域:
药物化学
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物理化学
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DOI
高影响因子
FUEL PROCESSING TECHNOLOGY
·
2021
·
IF 7.033
Bo Yan,Guangpeng Zhang,Peng Gao,He Li,Shuhang Ren,Weize Wu
Direct coal liquefaction (DCL) at mild conditions (about 693 K and less than 10 MPa) is an important and efficient way for the conversion of coal to high value-added chemicals and fuel oil. In the process of DCL, the pre‑hydrogenation of a recycle solvent is an important step and the recycle solvent is always heated from low temperatures to high temperatures. So, it important to study the dissolution behavior and the migration of hydrogen in the recycle solvent for DCL processes, especially for mild DCL processes. First, physical solubility of hydrogen in a model recycle solvent of naphthalene and 1,2,3,4-tetrahydronaphthalene was measured, and the Henry's constants at different temperatures were obtained. Then, the chemical solubility of hydrogen (chemical bonded hydrogen via hydrogenation of naphthalene to 1,2,3,4-tetrahydronaphthalene) in the recycle solvent was measured simultaneously. The equilibrium constants of the hydrogenation reaction at different temperatures were obtained. Finally, through the physical solubility of hydrogen and chemical solubility of hydrogen, the dissolution and migration of hydrogen in the recycle solvent were analyzed. When the temperature is increased, the physical solubility of hydrogen increases, the chemical solubility of hydrogen decreases, the total solubility of hydrogen decreases due to the dominant contribution of chemical solubility of hydrogen, and interestingly a small part of hydrogen released from 1,2,3,4-tetrahydronaphthalene is transferred to physical solubility. When the pressure is increased, the chemical solubility of hydrogen, the physical solubility of hydrogen and the total solubility of hydrogen all increase
研究领域:
化学工程
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能源科学
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DOI
高影响因子
Solar RRL
·
2023
·Vol. 7
·期 18
·2300370
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IF 7.9
Jianhang Qi,Jiale Liu,Kai Chen,Yongming Ma,Yanjie Cheng,Wei Wang,Zhaozhen Cui,Chaoyang Wang,Yaqiong Su,Anyi Mei,Hongwei Han
The photovoltaic, luminescence, and detector fields have witnessed the robust application prospects of solution-processed halide perovskites. Deep insights into solution can pave the way toward the precise crystallization control of halide perovskites for giving full play to the advantages of those materials. Herein, the dissolution behavior of formamidinium lead iodide (FAPbI 3 ) together with lead iodide in amide solvents with regulated coordination ability at increasing temperature and under different molar ratio between formamidinium iodide (FAI) and PbI 2 is studied. The solvent coordination ability, temperature, and FAI/PbI 2 molar ratio demonstrate equivalent influence on the dissolution, and increasing those factors tends to increase the solubility first and decrease it then for Pb compounds. It is proposed that there are interchangeable Pb solute forms including solvent-containing lead complexes and solvated lead halide fragments in solution and the interconversion of both solutes driven by the above factors brings the solubility change. The modulated dissolution affects the crystallization behaviors of FAPbI 3 when preparing single crystals, nanocrystal dispersions, and thin films, and allows for regulated crystallinity in printable mesoscopic solar cells which demonstrate a power conversion efficiency of 18.40%.
研究领域:
材料科学
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光伏技术
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产品关联
DOI
高影响因子
Advanced Materials Technologies
·
2025
·
IF 6.2
Zeqi Yu,Siming Qi,Zuohu Zhou,Jian Wei,Ni Zhen,Jun Zhao,Lei Zhang,Weiwei Liu
The development of positive-tone photoresists has emerged as a critical focus in electron beam lithography (EBL) and extreme ultraviolet lithography (EUVL), driven by continuous miniaturization of integrated circuits. Herein, a metal-oxo cluster polymerization strategy is introduced to address the long-standing incompatibility between metal-oxo cluster enhanced EUV absorption and positive-tone lithographic behavior. A binuclear antimony-oxo cluster (SbOC) with polymerizable methacrylate ligands is synthesized and copolymerized with multifunctional thiols (4SH/2SH) via thiol-ene click chemistry, forming crosslinked antimony-oxo cluster-based polymer (SbOC-4SH x 2SH y ). The SbOC-4SH x 2SH y polymer exhibits robust positive-tone behavior attributed to its composition of a large number of fracture-prone sites. Precise modulation of crosslinking density enables controlled dissolution and lithography behavior, achieving 50 nm patterns at EBL with a sensitivity of 290 µC cm − 2 and 25 nm patterns at EUVL with exceptional dose latitude for wide process windows (32.9–217.4 mJ cm − 2 ). Mechanistic studies by X-ray photoelectron spectroscopy (XPS) reveals that radiation-induced network scission dominate the solubility switching for positive-tone lithography. Therefore, this study establishes the polymerization of metal-oxo clusters into cleavable polymers as a universal paradigm to reconcile EUV absorption with positive-tone photoresists requirements, advancing the frontier of semiconductor nanofabrication.
研究领域:
材料科学
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半导体纳米加工
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高分子化学
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光刻技术
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辐射化学
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产品关联
DOI
高影响因子
Chem
·
2023
·
IF 23.5
Yuchen Ji,Jimin Qiu,Wenguang Zhao,Tongchao Liu,Zihang Dong,Kai Yang,Guorui Zheng,Guoyu Qian,Ming Yang,Qindong Chen,Khalil Amine,Feng Pan,Luyi Yang
The unstable and fragile solid electrolyte interphase (SEI) has restricted the application of Na metal anodes. Despite numerous research efforts being put into understanding its chemical composition and physical properties, direct observation of its formation remains a challenge due to the lack of temporal and spatial resolution. Here, through combined in situ probing techniques, we exhibit two pivotal stages associated with SEI instability during the often-neglected formation process. It is revealed that Na metal that is not uniformly passivated at the initial (passivating) stage will trigger unrestricted electrolyte decomposition and homogeneous components distribution during the subsequent (growing) stage. SEI with homogenously distributed components is found to have higher solubility than that with a layered structure evolved from a compact passivation layer. Through demonstrating an SEI dissolution model that is closely related to its formation process and compositional distribution, this work sheds light on an uncharted territory of Na metal batteries.
研究领域:
电化学
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材料科学
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能源存储
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电池技术
·
界面化学
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DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Yajun Li,Aoxiang Xu,Jili Zheng,Xianhe Deng,Can Hu,Jun Zhu,Kui Wu
Diludine and its derivatives are important precursors widely employed in the design and synthesis of dihydropyridine calcium channel blocker (CCB) drugs. The solid–liquid-phase equilibrium data and dissolution properties of diludine can provide fundamental thermodynamic data for the synthesis, separation, and further study of CCBs in the industry as well as the academic arena. The solubility of diludine in 16 pure solvents, including eight alcohols, three ketones, three esters, toluene, and acetonitrile from 272.15 to 323.65 K under atmospheric pressure, was measured using the gravimetric method. The solid–liquid equilibrium curve of diludine indicated an increasing trend with an increase in the temperature. The solvent polarity is a critical factor influencing the solubility behavior, but it is not the only one. Four thermodynamic models (i.e., the modified Apelblat model, λh model, NRTL model, and Wilson model) were used to correlate the solubility data. The Wilson model showed the most satisfactory agreement. Furthermore, the dissolution thermodynamic properties (ΔdisS, ΔdisH, and ΔdisG) of diludine in selected solvents were estimated on the basis of thermodynamic relations and the regressed Wilson model.
研究领域:
药物化学
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化学热力学
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药物合成
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物理化学
·
分离科学
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产品关联
DOI
高影响因子
Energy Storage Materials
·
2025
·
IF 20.2
Xingyu Hu,Hui Shi,Yilei Zheng,Penghui Shao,Liming Yang,Xubiao Luo
The sustainable recovery of valuable metals from end-of-life lithium-ion batteries (LIBs) has become essential for relieving the supply-demand contradiction of key resources. However, the high similarity in physicochemical properties of transition metals poses a fundamental challenge for the selective recycling. Here we proposed a facile strategy for defining the demarcation line of precipitation/dissolution behavior for precise Ni/Co separation. A malonic acid-based deep eutectic solvent (DES) is developed, emphasizing the H 2 O-mediated competitive coordination and differentiated solubility. We discovered the distinctive formation of [Ni(H 2 O) 6 ] 2+ and [CoCl 4 ] 2- in the DES-20 % H 2 O system. Furthermore, the K sp differences of the Ni-complex and Co-complex in the C 3 H 2 O 4 2- -rich environment was effectively magnified. These significant differences synergistically enable the generation of C 3 H 2 NiO 4 ·2H 2 O precipitation (∼ 99.9 % purity), achieving a remarkable Ni/Co separation factor of 125, which guarantees sequential separation of all metals. This universal methodology along with in-depth mechanism understanding provides a guideline toward value-added recovery of LIBs.
研究领域:
材料科学
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化学工程
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环境科学
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电化学
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可持续技术
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产品关联
DOI
高影响因子
JOURNAL OF PHYSICAL CHEMISTRY B
·
2015
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IF 3.302
Dongdong Hu,Shaojun Sun,Pei-Qing Yuan,Ling Zhao,Tao Liu
Hydrocarbon CO2-philes are of great interest for use in expanding CO2 applications as a green solvent. In this work, multiscale molecular modeling and dissolution behavior measurement were both applied to explore CO2-philicity of the poly(vinyl acetate) (PVAc)-based copolymer. Introduction of a favorable comonomer, i.e., vinyl ethyl ether (VEE), could significantly reduce the polymer–polymer interaction on the premise that the polymer–CO2 interaction was not weakened but enhanced. The ab initio calculated interaction of the model molecules with CO2 demonstrated that the ether group in VEE or VBE was the suitable CO2-philic segment. From the molecular dynamics (MD) simulations of polymer/CO2 systems, the interaction energy and Flory–Huggins parameter (χ12) of poly(VAc-alt-VEE)/CO2 supported that poly(VAc-alt-VEE) possessed better CO2-philicity than PVAc. The dissolution behaviors of the synthesized poly(VAc-co-alkyl vinyl ether) copolymers in CO2 showed the best CO2-phile had the VEE content of about 34 mol %. The MD simulations also indicated that the interaction of random poly(VAc-co-VEE) containing about 30 mol % VEE with CO2 was the strongest and the χ12 was the smallest in these polymer/CO2 systems. Not only could the VEE monomer reduce the polymer–polymer interaction, but it could also enhance the polymer–CO2 interaction with an optimized composition. Introducing a suitable comonomer with a certain composition might be a promising strategy to form the synergistic effect of polymer–polymer interaction and polymer–CO2 interaction for screening the hydrocarbon CO2-philes.
研究领域:
材料科学
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化学工程
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高分子科学
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DOI
PubMed
高影响因子
FOOD CHEMISTRY
·
2021
·
IF 7.514
Zhiqiang Tan,Qiang Chen,Yongguang Yin,Yanwanjing Liu,Yaohui Lin,Qingsheng Bai,Mengxin Wu,Weirong Yao,Shuxia Xu,Jingfu Liu
Zinc oxide nanoparticles (ZnO NPs) are recently recommended as food additives owing to their outstanding nutritive function. Therefore, understanding their comprehensive information and stability in food samples is highly necessitated. However, the characterization of ZnO NPs in the complex food matrices remains a great challenge, limiting an in-depth understanding of their transformation during food storage. In this study, the hollow fiber flow field-flow fractionation was combined with UV–Vis absorption spectroscopy and inductively coupled plasma optical emission spectroscopy to assess the dissolution behaviors of ZnO NPs in skimmed milk powder solutions by monitoring the changes in the residual ZnO NPs and the amount of dissolved Zn(II) ions. The simultaneous characterization of these two Zn species in skimmed milk powder solutions was achieved without the need for tedious sample pretreatments, and the dissolution of ZnO NPs in skimmed milk powder solutions had time- and temperature-dependent behaviors.
研究领域:
食品科学
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分析化学
·
纳米技术
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DOI
高影响因子
CRYSTAL GROWTH & DESIGN
·
2023
·
IF 3.8
Zhiyong Zheng,Yuehua Deng,Weining Xie,Sirui Chen,Xiaoxiao Liang,Shiyuan Liu,Yanbin Jiang,Huaiyu Yang
Multicomponent crystal is an effective way to improve the physicochemical properties of drugs. However, screening for co-formers that form multicomponent crystals with active pharmaceutical ingredients is still a challenge. In this study, a co-former prediction method based on partial least squares (PLS) regression was developed. First, 101 positive and negative samples reported were traced from the literature as a training set, based on which seven prediction models were built. Ciprofloxacin (CIP) was selected as the model drug, and the prediction models developed were adopted to predict co-formers which might form multicomponent crystals with CIP. Seven CIP multicomponent crystal systems were successfully prepared experimentally, six of which were hit by the two-parameter prediction model with the Hansen solubility parameter and the conductor-like screening model for real solvents, which achieved an overall accuracy and positive accuracy of 85 and 75%, respectively, higher than those of other models. All seven multicomponent crystal systems showed an increase in process solubility in pH 6.8 phosphate buffer solution (1.06–3.92-fold) and exhibited two different types of dissolution behaviors, wherein three samples exhibited a supersaturated peak in the dissolution process, while the other four did not. This difference was mainly due to the different rates of CIP trihydrate precipitation. The hygroscopic stability of all multicomponent crystals at room temperature and 95% relative humidity was substantially improved compared to raw CIP. This study provides a simple and effective strategy for the predictive screening of multicomponent crystal systems.
研究领域:
药学
·
材料科学
·
化学
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产品关联
DOI
高影响因子
CARBOHYDRATE POLYMERS
·
2022
·
IF 10.723
Lijun Wan,Zhongzhong Yuan,Bin Wu,Honghua Jia,Zhen Gao,Fei Cao
Arabinoxylan is one of the main components of xylan-rich hemicellulose of sugarcane bagasse . The study on the dissolution behavior of arabinoxylan from sugarcane bagasse (AXSB) is beneficial to its efficient utilization. The dissolution behavior of AXSB in a 50% TBAH aqueous solution was investigated by small angle X-ray scattering and rheological methods. SAXS analysis showed that the radius of gyration ( R g ) of AXSB is between 8.5 nm and 21.6 nm, and R g has a larger value with the rising AXSB concentration. Rheological measurements showed that AXSB is completely dissolved in TBAH aqueous solution at low concentration, aggregating after reaching a certain concentration. The estimated critical concentration is approximately 0.033 g mL −1 . The rheological curves at the high concentration indicated shear thinning behavior, causing the failure of the Cox-Merz rule. The storage modulus grows gradually with the increasing AXSB concentration, inferring the probable formation of AXSB aggregation in TBAH aqueous solution.
研究领域:
化学工程
·
材料科学
·
生物技术
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产品关联
DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2022
·
IF 8.025
Dan Chen,Zhe Zhao,Yingying Wu,Sangeeta Prakash,Jie Wan
The dissolution behaviour of three corn starches, including corn starch (CS), high amylose corn starch (HACS) and waxy corn starch (WCS) with different amylose content in 1-allyl-3-methylimidazolium chloride ([AMIM]Cl) and 1-butyl-3-methylimidazolium chloride ([BMIM]Cl) were studied by comparing their dissolution state in ionic liquids (ILs). Further, the structural and thermal properties of the regenerated starch were analyzed. WCS with the lowest amylose content had the fastest dissolution rate, the most extensive structural damage, and the lowest solubility and required the maximum energy for dissolution. In the process of dissolution-regeneration, the A-type crystalline structure of WCS and CS was completely destroyed and transformed into an amorphous structure, while the B-type crystalline structure of HACS transformed into an ordered V -shaped structure. And the thermal stability of starch was improved after dissolution-regeneration in ILs. Among the two kinds of ILs, [AMIM] Cl had a better ability to dissolve starch, causing minor damage to the starch.
研究领域:
化学工程
·
材料科学
·
食品科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）