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COSMO-RS prediction and experimental verification of 1,5-pentanediamine extraction from aqueous solution by ionic liquids

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Green Energy & Environment 2021年第3期6卷 422-431页

作者： Chenhao Jiang Hongye Cheng Zexian Qin Ruizhuan Wang Lifang Chen Chen Yang Zhiwen Qi Xiucai Liu State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and Technology130 Meilong RoadShanghai200237China Institute of Biobased Materials East China University of Science and Technology130 Meilong RoadShanghai200237China Cathay Biotech Inc. 1690 Cailun RoadShanghai201203China

1,5-Pentanediamine(PDA)produced by biological fermentation becomes popular,but the separation of PDA from the broth is a typical difficult *** this work,the performance of 200 ionic liquids(ILs),formed by combining 25 cations and 8 anions,in the extraction of PDA from aqueous solution were evaluated using COSMO-RS *** extraction mechanism was investigated with the help ofσ-profile and interaction energy *** the cation and anion have impacts on the extraction efficiency,where cation mainly influences the interaction of IL with PDA and anion affects the hydrophobicity of *** IL composed of long alkyl-chain in cation and the anion of[PF6]-or[TF2 N]-,which has theσ-profile more likely distributed in the nonpolar region but less distributed in the polar region,is favorable for *** experimental liquid-liquid equilibrium demonstrated the effects of cation and anion on extraction performance,which validated the reliability of COSMO-RS model in IL screening for PDA *** IL[IM-1,8][PF6]could serve as a promising extractant for the downstream separation process of the biological production of PDA.

关键词： 1,5-Pentanediamine Ionic liquids aqueous solution Extraction COSMO-RS model

Kinetics process of room temperature phosphorescence and fluorescence of gadolinium porphyrin in aqueous solution

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Journal of Rare Earths 2021年第10期39卷 1187-1193,I0001页

作者： Ting Liu Xiyu Zhang Honglin Zhang Hua Zhao Zhiguo Zhang Ye Tian Condensed Matter Science and Technology Institute Harbin Institute of TechnologyHarbin 150001 China School of Materials and Engineering Harbin Institute of TechnologyHarbin 150001China Division of Cardiology The First Affiliated HospitalHarbin Medical UniversityHarbin 150001China

The behavior of room temperature phosphorescence quenching and fluorescence enhancing of gadolinium labeled sinoporphyrin sodium(Gd-DVDMS) in the aqueous solution were ***-DVDMS was characterized by various techniques including mass spectra,Fourier transform infrared spectra and transmission electron *** optical behavior was monitored through UV-vis absorption spectra and photoluminescence *** result shows that the phosphorescence intensity gradually quenches,almost disappears after dissolved 120 min,meanwhile the fluorescence intensity enhances 5 *** above behavior is attributed to the decreased population of Gd-DVDMS as first excited triplet state(T1),Based on the time-invariant of both absorption spectra and phosphorescence decay curves at710 nm of Gd-DVDMS in different dissolution time,the reason for the decreased population of GdDVDMS in T1 state is that the intersystem crossing from first excited state(S1) to T1 is *** addition,the fluorescent decay curves of Gd-DVDMS initially dissolved in the aqueous solution and dissolved for 120 min were also measured for *** big change in fluorescent lifetime further proves the conclusion that intersystem crossing is prevented,meanwhile,the increase in fluorescence intensity is *** this work,the possibility of decomposition of Gd-DVDMS is excluded because the phosphorescence decay curve in Gd-DVDMS aqueous solution is sensible to DVDMS.

关键词： Gd-DVDMS Phosphorescence Fluorescence aqueous solution Intersystem crossing Rare earths

Hydrophobic CHA-ZIFs with a junctional trap between cha and d6r cages for adsorption of 2,3-butanediol in aqueous solution

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Chinese Journal of Chemical Engineering 2024年第9期73卷 90-100页

作者： Lifang Ge Meizhen Gao Xiaosheng Zhang Jiang Wang Qi Shi Jinxiang Dong College of Chemical Engineering and Technology Shanxi Key Laboratory of Chemical Product EngineeringTaiyuan University of TechnologyTaiyuan 030024China

The adsorption and separation of diols from dilute aqueous solution using hydrophobic materials is very challenging due to the strong diol-water hydrogen-bonding interactions. Herein, we screened hydrophobic zeolitic imidazolate frameworks(ZIFs) with chabazite(CHA) topology for separation of 2,3-butanediol(2,3-BDO) and 1,3-propanediol(1,3-PDO), which had junctional and hydrophobic traps matching the two end methyl groups of the 2,3-BDO molecule. Based on CHA-ZIFs with the same small-sized ligand 2-methylimidazole(mIm) and different large-sized ligand benzimidazole derivatives(RbIm),CHA-ZIFs with larger surface areas were obtained by the addition of excess small-sized ligand mIm in the synthesis process. We showed that all of the hydrophobic CHA-ZIFs preferentially adsorbed 2,3-BDO over 1,3-PDO by static batch adsorption and dynamic column adsorption experiments. But ZIF-301 and ZIF-300 with halogen groups exhibited better adsorptive separation performance for 2,3-BDO/1,3-PDO than ZIF-302 with methyl groups. For a typical ZIF-301, its adsorption capacity for 2,3-BDO was 116.4 mg·g^(-1)and selectivity for 2,3-BDO/1,3-PDO was 3.8 in dynamic column adsorption of the binary-component system(2,3-BDO/1,3-PDO: 50 g·L^(-1)/50 g·L^(-1)). Computational simulations revealed that 2,3-BDO preferentially adsorbed in a trap at the junction between the cha and d6r cages of CHA-ZIFs,meaning the strong host-guest interactions. Therefore, the hydrophobic CHA-ZIFs with a junctional trap were promising candidate materials for adsorbing 2,3-BDO, which also provided a new perspective for separating diols in dilute aqueous solutions.

关键词： Adsorption Separation aqueous solution Zeolitic imidazolate frameworks Junctional and hydrophobic trap Diols

Triggering triplet excitons of carbon nanodots through nanospace domain confinement for multicolor phosphorescence in aqueous solution

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Nano Research 2024年第7期17卷 6534-6543页

作者： Ya-Chuan Liang Qing Cao Yuan Deng Yong Wang Kai-Kai Liu Chong-Xin Shan School of Electronics and Information Zhengzhou University of Light IndustryZhengzhou 450002China Henan Key Laboratory of Diamond Optoelectronic Material and Devices Key Laboratory of Material PhysicsMinistry of EducationSchool of Physics and MicroelectronicsZhengzhou UniversityZhengzhou 450001China Academy for Quantum Science and Technology Zhengzhou University of Light IndustryZhengzhou 450002China Institute of Quantum Materials and Physics Henan Academy of SciencesZhengzhou 450046China

Easy non-radiative decay property of long-lived triplet excitons in aqueous solution obstructs their applications in aquatic *** reported phosphorescence phenomena in aqueous solution have excited researchers enormously but achieving full-color water-soluble phosphorescent carbon nanodots(CNDs)is still a challenging ***,full-color phosphorescence of water-soluble CNDs has been demonstrated by triggering their triplet excitons through nanospace domain confinement,and Förster energy resonance transfer is used for further tuning phosphorescence *** phosphorescence spans across most of the visible spectrum,ranging from 400 to 700 *** an aqueous solution,the CNDs exhibits blue,green,and red phosphorescence,lasting for approximately 6,10,and 7 s,***,the phosphorescence quantum yields are 11.85%,8.6%and 3.56%,making them readily discernible to the naked eyes and laying a solid foundation for practical ***,phosphorescence flexible optical display and bioimaging have been demonstrated by using the multicolor CNDs-based nanomaterials,showing distinct superiority for accuracy and complete display and imaging in complex emission background.

关键词： carbon nanodots triplet excitons multicolor aqueous solution

Numerical investigation on electron effects in the mass transfer of the plasma species in aqueous solution

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Plasma Science and Technology 2020年第11期22卷 103-113页

作者： Xiaolong WANG Zhenyu TAN Jiaqi HAN Xiaotong LI School of Electrical Engineering Shandong UniversityJinan 250061People's Republic of China

The objective of this work is to contribute an understanding of the effects of electrons in the plasmas on the mass transfer of plasma species in aqueous solution by means of the numerical simulation based on a one-dimensional diffusion-reaction *** plasma species are divided into two groups,*** and the other species,and the mass transfer in the three scenarios has been simulated,including the systematic calculations of the depth distributions of five major reactive species,OH,O3,HO2,O2^-,and *** the three scenarios,the particles considered to enter into aqueous solution are all the plasma species(the scenario Ⅰ,where the mass transfer of plasma species is a result due to the synergy of the electrons and the other plasma species),the other species(the scenario Ⅱ),and only electrons in plasma species(the scenario Ⅲ),*** detailed analyses on the difference between the depth distributions of each reactive species in these three scenarios show the following *** electrons play an important role in the mass transfer of plasma species in aqueous solution and the synergy of the electrons and the other plasma species(the electron-species synergy)presents its different effects on the mass *** vast majority of H2O2 are generated from a series of the electronrelated reactions in aqueous solution,which is hardly affected by the electron-species *** to the results when only the electrons enter into the liquid region,the electron-species synergy evidently weakens the generation of O2^-,O3,and OH,but promotes to produce HO2.

关键词： plasma species electron effect mass transfer aqueous solution plasma biomedicine

Electrically driven chip cooling device using hybrid coolants of liquid metal and aqueous solution

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Science China(Technological Sciences) 2016年第2期59卷 301-308页

作者： TAN SiCong ZHOU YiXin WANG Lei LIU Jing Beijing Key Lab of Cryo Biomedical Engineering and Key Lab of Cryogenics Technical Institute of Physics and ChemistryChinese Academy of Sciences Department of Biomedical Engineering School of Medicine Tsinghua University

Heat dissipation of electronic devices keeps as a tough issue for decades. As the most classical coolant in a convective heat transfer process, water has been widely adopted which however inherits with limited thermal conductivity and relies heavily on mechanical pump. As an alternative, the room temperature liquid metal was increasingly emerging as an important coolant to realize much stronger enhanced heat transfer. However, its thermal capacity is somewhat lower than that of water, which may restrict the overall cooling performance. In addition, the high cost by taking too much amount of liquid metal into the device also turns out to be a big concern for practical purpose. Here, through combining the individual merits from both the liquid metal with high conductivity and water with large heat capacity, we proposed and demonstrated a new conceptual cooling de- vice that integrated hybrid coolants, radiator and annular channel together for chip thermal management. Particularly, the elec- trically induced actuation effect of liquid metal was introduced as the only flow driving strategy, which significantly simplified the whole system design. This enables the liquid metal sphere and its surrounding aqueous solution to be quickly accelerated to a large speed under only a very low electric voltage. Further experiments demonstrated that the cooling device could effective- ly maintain the temperature of a hotpot （3.15 W/cm2） below 55℃ with an extremely small power consumption rate （0.8 W）. Sev- eral situations to simulate the practical working of the device were experimentally explored and a theoretical thermal resistance model was established to evaluate its heat transfer performance. The present work suggests an important way to make highly compact chip cooling device, which can be flexibly extended into a wide variety of engineering areas.

关键词： chip cooling liquid metal hybrid coolants electrically induced actuation thermal management aqueous solution

Adsorption of rubidium ion from aqueous solution by surface ion imprinted materials

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Chinese Journal of Chemical Engineering 2023年第2期54卷 1-10页

作者： Zhongqi Ren Jie Wang Hewei Zhang Fan Zhang Shichao Tian Zhiyong Zhou State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical TechnologyBeijing 100029China

A new type of rubidium ion-imprinted polymer has been synthesized by the surface-imprinting technique using methacrylic acid as the functional monomer,the rubidium ion as the template,methanol as the solvent,and silica as a *** glycol dimethacrylate and 2,2-azobisisobutyronitrile were used as acrosslinker and an initiator,*** addition,based on the macrocyclic effect of crown ethers,the 18-crown-6 ligand was introduced as a ligand to fix the template ions *** electron microscopy,zeta-potential analysis,Fourier transform infrared spectroscopy,thermogravimetric analysis,and X-ray photoelectron spectroscopy were performed to characterize the ion-imprinted *** effects of the preparation and adsorption conditions on the adsorption performance of the rubidium ion-imprinted polymer were *** results indicated that the rubidium ion-imprinted polymer has high selectivity and faster kinetics than other adsorbents,with an equilibrium adsorption capacity of 200.19 mg·g^(-1)at 298 K within 25 *** sorption isotherm was well described by the Freundlich isotherm model,while the adsorption kinetics fitted the pseudo-second-order kinetic *** adsorption-desorption experiments showed that the ion-imprinted polymer had good chemical stability and reusability.

关键词： Surface-imprinted material Adsorption aqueous solution Silica Selectivity

Synthesis of hierarchical transition metal oxyhydroxides in aqueous solution at ambient temperature and their application as OER electrocatalysts

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Journal of Energy Chemistry 2022年第8期31卷 89-97,I0003页

作者： Zongkun Chen Xingkun Wang Sascha Keßler Qiqi Fan Minghua Huang Helmut Cölfen University of Konstanz Physical ChemistryUniversitätsstraße 10Konstanz D-78457Germany School of Materials Science and Engineering Ocean University of ChinaQingdao 266100ShandongChina

First-row(3 d)transition metal oxyhydroxides have attracted increasing attention due to their various *** investigating the oxidation mechanism and processing such materials into hierarchical architectures are greatly desired for their further development,it remains unclear how the oxidation state change occurs,and efforts to produce hierarchical oxyhydroxides in compliance with high ecological and economic standards have progressed ***,we describe a facile one-step coprecipitation route for the preparation of hierarchical CoOOH,NiOOH and MnOOH,which involves the diffusion of NH_(3)originating from ammonium hydroxide solution into an aqueous solution containing metal ion salts and K_(2)S_(2)O_(8).Comprehensive characterizations by scanning electron microscope,transmission electron microscopy,X-ray diffraction analysis,X-ray photoelectron spectroscopy,ultraviolet-visible spectroscopy and in situ p H measurement demonstrated that K_(2)S_(2)O_(8)induces the oxidation state change of metal ion species after the start of ***,it was found that,benefiting from the OH–concentration gradient created by the NH_(3)diffusion method and the suitable growth environment provided by the presence of K_(2)S_(2)O_(8)(high nucleation rate and secondary nucleation),the formation of hierarchical oxyhydroxide structures can be realized in aqueous solution at ambient temperature without the use of heat energy and additional structure-directing *** hierarchical CoOOH structures are performed as the electrocatalysts for the oxygen evolution reaction in alkaline media,which exhibit good activity with an overpotential of 320 m V at 10 m A cm^(-2)and a low Tafel slope of 59.6 m V dec^(–1),outperforming many congeneric ***,our study not only provides important insights to understand the formation mechanism of hierarchical oxyhydroxides,but also opens up new opportunities for the preparation of hierarchical oxyhydroxides via a f

关键词： Formation mechanism Hierarchical transition metal oxyhydroxides aqueous solution Ambient temperature Oxygen evolution reaction

Removal of fluoride from aqueous solution onto Zr-loaded garlic peel (Zr-GP) particles

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Journal of Central South University 2011年第5期18卷 1448-1453页

作者：黄凯邵久刚朱鸿民 Inoue Katsutoshi School of Metallurgical and Ecological Engineering University of Science and Technology Beijing Department of Applied Chemistry Saga UniversitySaga 840-8502Japan

Garlic peel,as the raw material,was modified by loading with zirconium(IV),exhibiting quite good uptaking behaviour for fluoride *** adsorption experiments were carried out in batch shaking vessels,and the process was strongly dependent on the pH *** adsorption fits Langmuir model well,and the maximum adsorption capacities at equilibrium pH 2 and 6 are evaluated to be 1.10 and 0.89 mol(fluoride)/kg of Zr-loaded garlic peel gel,*** evaluation of effects of coexisting anions such as nitrate,sulfate and phosphate shows that nitrate and sulfate have no negative effect on the adsorption of fluoride,while phosphate has a little *** kinetics of fluoride is well described by pseudo-second-order rate equation,and the corresponding adsorption rate constant is calculated to be 3.25×10?3 g/(mg·min).

关键词： bio-adsorption fluoride removal zirconium-loaded garlic peel aqueous solution