搜索到44874篇“ SOLVENT“的相关文章
一元溶剂体系TKX-50结晶形貌的分子动力学模拟
2025年
本文应用分子动力学方法(MD)和修正的Dreiding-TKX-50力场计算了三种单溶剂作用下TKX-50重要晶面层与溶剂层的相互作用能,采用修正的附着能模型预测了TKX-50在不同溶剂中的结晶形貌并与实验结果进行了对比.计算结果表明,TKX-50晶体真空形貌中的重要晶面为(020)、(011)、(11-1)和(100).水(H_(2)O)溶剂和N,N-二甲基甲酰胺(DMF)溶剂作用后所预测的TKX-50晶体形貌近似梭形,纵横比为1.857和2.073.乙二醇(EG)溶剂作用后所预测的TKX-50晶体形貌为块体,纵横比为2.320.
董羚陈芳李天浩郭国琦贾翔宇米方琦宁瑞星
关键词:分子动力学溶剂
Facile synthesis of hybridized Co/Fe-ZIF under solvent-free conditions for efficient oxidation evolution reaction electrocatalysis
2025年
Developing non-noble catalyst synthesis under green conditions with efficient electrochemical reactions is a challenging task in green energy technologies.To meet this challenge,the synthesis of hybridized non-noble cobalt and iron in the zeolitic-imidazole framework(Co/Fe-ZIF)through a solid-state thermal(SST)method is developed.In the obtained Co/Fe-ZIF structure,iron atoms are uniformly dispersed and randomly hybridized with primary cobalt atoms and imidazole linker,similar to the structure of ZIF-67.The hybridized Co/Fe-ZIF shows potential as an electrocatalyst for oxidation evolution reaction(OER).The optimal iron-incorporating catalyst,Co/Fe_(0.2)-ZIF,demonstrates remarkable performance with a minimized overpotential of 285 mV at the current density(j)of 10 mA·cm^(-2)in 1 M KOH.The synergistic effect of iron and cobalt ions on the catalyst provides active sites that bind to intermediate(OOH^(*))more strongly and facilitate high electron charge transfer,enhancing efficient electrocatalyst.Furthermore,the synergistic Co/Fe_(0.2-)ZIF catalyst demonstrates excellent durable reaction time compared to non-iron catalyst(ZIF-67)and conventional catalyst(RuO_(2)).
YinSheng XuZihan LiZhonghan ChengSomboon Chaemchuen
关键词:ELECTROCATALYST
Efficient and simple synthesis of B_(2)O_(3)-Al_(2)O_(3)nanocomposites assisted by deep eutectic solvent for production of 5-hydroxymethylfurfural from glucose
2025年
The catalytic conversion of glucose to high valueadded platform chemical 5-hydroxymethylfurfural(HMF)is a promising biorefinery process,and alumina-boria catalysts are considered to be green and mild solid acid catalysts for this catalytic reaction.Here,compared to the common synthesis methods with complicated steps,we reported a simple and efficient strategy to prepare B_(2)O_(3)-Al_(2)O_(3)nanocomposites by calcining cost-effective glucose-urea deep eutectic solvent(DES)solution containing the precursors.The prepared B_(2)O_(3)-Al_(2)O_(3)nanocomposites exhibited an open three-dimensional skeleton and two-dimensional porous lamellar substructure,endowing them with a high specific surface area(228.27 m2/g).The introduction of boron changed the ratios of different aluminum species(AlⅣ,AlⅤ,and AlⅥ)and borate species(BO3 and BO4),thus further affecting the acidity and the types of acid sites of the materials.The prepared B_(2)O_(3)-Al_(2)O_(3)bifunctional acid catalysts possessing abundant Lewis acid sites and adjustable Brønsted acid sites showed complete glucose conversion and 55.38%of HMF yield under the optimum conditions.Our study proposed a concise method to synthesize alumina-boria solid acid catalysts assisted by glucose-urea DES.We hope to extend the application and prospect of this efficient and simple synthesis strategy.
Yuchen WangKai RongShanlei ChangYouxing FangShaojun Dong
关键词:GLUCOSE
高活性Cu@NC材料催化酰氯与炔烃的无溶剂偶联
2025年
铜催化的Sonogashira偶联最近成为获得α,β-乙炔酮(炔酮)的一种有吸引力的途径。在本研究中,首先通过氧化偶联制备了[2,6-双(1,2,3-三唑-4-基)吡啶](BTP)基有机多孔聚合物,并在掺入铜盐后热解制备了包埋铜的N-掺杂碳材料。由于大的比表面积、丰富的中孔及均匀分布的金属纳米颗粒,所制备的铜/碳材料对酰氯和炔烃的偶联表现出优异的催化性能,在室温下用仅0.4%(mol)的催化剂在短反应时间(4 h)内以良好至优异的产率生产炔酮。与以往报道的铜纳米催化剂相比,N掺杂碳材料负载的铜催化剂具有催化活性高、反应温度低的优点。此外,该催化剂显示出可靠的可回收性,其催化活性没有明显损失。
徐俊杰聂俊琦
Alcohol solvent effect on the self-assembly behaviors of lignin oligomers
2024年
The interactions between lignin oligomers and solvents determine the behaviors of lignin oligomers self-assembling into uniform lignin nanoparticles(LNPs).Herein,several alcohol solvents,which readily interact with the lignin oligomers,were adopted to study their effects during solvent shifting process for LNPs’production.The lignin oligomers with widely distributed molecular weight and abundant guaiacyl units were extracted from wood waste(mainly consists of pine wood),exerting outstanding self-assembly capability.Uniform and spherical LNPs were generated in H_(2)O-n-propanol cosolvent,whereas irregular LNPs were obtained in H_(2)O-methanol cosolvent.The unsatisfactory self-assembly performance of the lignin oligomers in H_(2)O-methanol cosolvent could be attributed to two aspects.On one hand,for the initial dissolution state,the distinguishing Hansen solubility parameter and polarity between methanol solvent and lignin oligomers resulted in the poor dispersion of the lignin oligomers.On the other hand,strong hydrogen bonds between methanol solvent and lignin oligomers during solvent shifting process,hindered the interactions among the lignin oligomers for self-assembly.
Ya MaZhicheng JiangYafei LuoXingjie GuoXudong LiuYiping LuoBi Shi
关键词:SELF-ASSEMBLY
化学制药中绿色溶剂及无溶剂合成技术探究
2024年
绿色溶剂和无溶剂合成技术是绿色化学发展的关键方向,可以解决传统制药技术所产生的有机溶剂对环境的毒害问题,并降低人民生命财产安全风险。文章从化学制药时所采用的有机溶剂作为切入点,并深入探究其应用意义,对此展开了详细的分析,主要为绿色溶剂和无溶剂合成技术,以期为今后相关研究给出一定参考价值。
李丽
关键词:化学制药绿色溶剂无溶剂合成技术
浅析反相高效液相色谱中样品溶剂对中药成分色谱保留行为的影响被引量:1
2024年
目的探究反相高效液相色谱(RP-HPLC)中样品溶剂对中药成分色谱保留行为的影响。方法选取2020版《中国药典》一部收载的5种中药,参照各药材含量测定项下要求进行HPLC法测定,初步研究龙胆苦苷-龙胆、紫丁香苷-刺五加、松脂醇二葡萄糖苷-杜仲、秦皮甲素-秦皮、腺苷-冬虫夏草受样品溶剂影响产生的色谱峰异常行为,深入探讨溶剂效应的机理,并提出解决方案。结果5种中药化学成分的色谱异常行为表现为保留时间漂移、色谱峰展宽、前延及裂分,产生上述异常现象的根本原因是溶解样品的溶剂和流动相存在某种不匹配,导致样品在溶剂与流动相中所处状态出现差异(溶剂效应)。消除溶剂效应的首选方法是用流动相或相近的溶剂溶解样品,此外,减小进样量和使用溶剂效应消除器可作为辅助手段。结论溶剂效应容易引起色谱峰异常,影响对化学成分定性和定量的准确性,应该在日常中药分析工作中予以重视。
张冬旭张彤丁越张永杨正燕王申澍张新华
关键词:反相高效液相色谱溶剂效应流动相
Solvent transport dynamics and its effect on evolution of mechanical properties of nitrocellulose(NC)-based propellants under hot-air drying process
2024年
Appropriate drying process with optimized controlling of drying parameters plays a vital role in the improvement of the quality and performance of propellant products.However,few research on solvent transport dynamics within NC-based propellants was reported,and its effect on the evolution of mechanical properties was not interpreted yet.This study is conducted to gain a comprehensive understanding of hot-air drying for NC-based propellants and clarify the effect of temperature on solvent transport behavior and further the change of mechanical properties during drying.The drying kinetic curves show the drying time required is decreased but the steady solvent content is increased and the drying rate is obviously increased with the increase of hot-air temperatures,indicating hot-air temperatures have a significant effect on drying kinetics.A modified drying model was established,and results show it is more appropriate to describe solvent transport behavior within NC-based propellants.Moreover,two linear equations were established to exhibit the relationship between solvent content and its effect on the change of tensile properties,and the decrease of residual solvent content causes an obvious increase of tensile strength and tensile modulus of propellant products,indicating its mechanical properties can be partly improved by adjustment of residual solvent content.The outcomes can be used to clarify solvent transport mechanisms and optimize drying process parameters of double-based gun propellants.
Enfa FuMingjun YiQianling LiuZhenggang Xiao
A new hydrophobic deep eutectic solvent composed of menthol and tris(2-ethylhexyl) phosphate for solvent bar microextraction of parabens from biological fluids
2024年
Parabens are antimicrobial preservatives with extensive applications in cosmetics,toiletries,pharmaceuticals,and food.Considering the legitimate concerns relating to their potential to disrupt multiple endocrine functions,it becomes imperative to prioritize the development of innovative bioanalytical techniques for effectively monitoring their presence in biological samples.In this study,an efficient solvent bar microextraction(SBME)was established,utilizing new hydrophobic deep eutectic solvents(DEs)to determine methylparaben and propylparaben in urine and plasma samples.The DEs comprising menthol and tris(2-ethylhexyl)phosphate(M-TEHP)at various molar ratios were synthesized for the first time to enhance the extraction capacity and promote the eco-friendliness of the DE used as an extraction solvent.Fourier-transform infrared(FT-IR)and proton nuclear magnetic resonance(1H NMR)spectroscopies were employed to confirm and investigate the properties of the successful synthesis(M-TEHP)DE at a molar ratio of 1:1.The synthesized DE exhibits low microbial toxicity and can be considered an eco-friendly solvent for extraction.Furthermore,quantum-chemical calculations were utilized to predict synthesized DE's structure and interaction energy with selected parabens.The influential operational factors of DE-SBME on the extraction efficiency(EE%)of both parabens were evaluated using response surface methodology based on central composite design,and a total of 30 extraction tests were conducted to determine the optimal conditions.The optimized DE-SBME,in combination with HPLC-DAD,exhibited low detection limits(0.54–0.91μg L^(−1)),excellent linearity(R^(2)≥0.9993),precise results(RSDs≤7.6%),satisfactory recoveries(92–97%)and negligible matrix effects.Hence,it had remarkable effectiveness and applicability in determining selected parabens in real urine and plasma samples.
Nabil N.AL-HashimiHusam Abed AlfattahKhaleel I.AssafAsma A.FakhourySaja H.HamedAmjad H.El-SheikhKhairi M.Fahelelbom
关键词:PARABENS
An upper bound on the steady flow velocity of solvent-free nanofluids
2024年
The rheological properties and limited flow velocities of solvent-free nanofluids are crucial for their technologically significant applications.In particular,the flow in a solvent-free nanofluid system is steady only when the flow velocity is lower than a critical value.In this paper,we establish a rigid-flexible dynamic model to investigate the existence of the upper bound on the steady flow velocities for three solvent-free nanofluid systems.Then,the effects of the structural parameters on the upper bound on the steady flow velocities are examined with the proposed structure-preserving method.It is found that each of these solvent-free nanofluid systems has an upper bound on the steady flow velocity,which exhibits distinct dependence on their structural parameters,such as the graft density of branch chains and the size of the cores.In addition,among the three types of solvent-free nanofluids,the magnetic solvent-free nanofluid poses the largest upper bound on the steady flow velocity,demonstrating that it is a better choice when a large flow velocity is required in real applications.
Weipeng HUZhengqi HANXiqiao FENGYaping ZHENGZichen DENG

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王孝军
作品数:295被引量:305H指数:9
供职机构:四川大学
研究主题:聚芳硫醚砜 聚苯硫醚 聚芳硫醚 复合材料 分离膜
王身国
作品数:186被引量:1,137H指数:20
供职机构:中国科学院化学研究所
研究主题:生物降解高分子 细胞支架 生物材料 聚己内酯 细胞亲和性
卢果
作品数:4被引量:75H指数:4
供职机构:中国科学院大连化学物理研究所
研究主题:超高效 大鼠尿液 飞行时间质谱 人参皂甙RG3 人参皂甙
佟玲
作品数:53被引量:330H指数:12
供职机构:国家地质实验测试中心
研究主题:有机氯农药 多氯联苯 土壤 气相色谱-质谱法 加速溶剂萃取
王继萍
作品数:10被引量:26H指数:2
供职机构:吉林大学白求恩第一医院
研究主题:行为干预 金黄地鼠 氯化锂 五羟色胺 磁共振成像