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Contact angle and stability of interfacial nanobubble supported by gas monolayer

Fundamental Research 2024年第1期4卷 35-42页

作者： Haichang Yang Yaowen Xing Fanfan Zhang xiahui Gui Yijun Cao Chinese National Engineering Research Center of Coal Preparation and Purification China University of Mining and TechnologyXuzhou 221116China School of Chemical Engineering and Technology China University of Mining and TechnologyXuzhou 221116China Henan Province Industrial Technology Research Institution of Resources and Materials Zhengzhou UniversityZhengzhou 450001China

Since solid-liquid interfacial nanobubbles(INBs)were first imaged,their long-term stability and large contact angle have been perplexing *** study aimed to investigate the influence of internal gas density and external gas monolayers on the contact angle and stability of INB using molecular dynamics ***,the contact angle of a water droplet was simulated at different nitrogen *** results showed that the contact angle increased sharply with an increase in nitrogen density,which was mainly caused by the decrease in solid-gas interfacial ***,when the nitrogen density reached 2.57 nm^(-3),an intervening gas monolayer(GML)was formed between the solid and *** the formation of GML,the contact angle slightly increased with increasing gas *** contact angle increased to 1.0°when the nitrogen density reached 1..38 nm^(-3),indicating that INBs transformed into a gas layer when they were too *** substrates with different hydrophobicities,the contact angle after the formation of GML was always larger than 1.0°and it was weakly correlated with substrate *** increase in contact angle with gas density represents the evolution of contact angle from macro-to nano-bubble,while the formation of GML may correspond to stable *** potential of mean force curves demonstrated that the substrate with GML could attract gas molecules from a longer distance without the existence of a potential barrier compared with the bare substrate,indicating the potential of GML to act as a gas-collecting *** research indicated that GML can function as a channel to transport gas molecules to INBs,which favors stability of *** research may shed new light on the mechanisms underlying abnormal contact angle and long-term stability of INBs.

关键词： Interfacial tension Hydrophobicity Potential of mean force Gas density Molecular dynamics simulations

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Genome-wide identifcation of the histone acetyltransferase gene family in Citrus clementina and its potential roles in citrate metabolism

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Food Quality and Safety 2024年第1期8卷 201-211页

作者： xiahui Lin Yanna Shi Shengchao Liu Xincheng Liu Minglei Zhang Bo Zhang Shaojia Li Kunsong Chen College of Agriculture and Biotechnology Zhejiang UniversityZijingang CampusHangzhouChina Zhejiang Provincial Key Laboratory of Horticultural Plant Integrative Biology Zhejiang UniversityZijingang CampusHangzhouChina The State Agriculture Ministry Laboratory of Horticultural Plant Growth Development and Quality ImprovementZhejiang UniversityZijingang CampusHangzhouChina Shenzhen Branch Guangdong Laboratory for Lingnan Modern AgricultureKey Laboratory of Synthetic BiologyMinistry of Agriculture and Rural AffairsAgricultural Genomics Institute at ShenzhenChinese Academy of Agricultural SciencesShenzhenChina Institute of Horticulture Jiangxi Academy of Agricultural SciencesNanchangChina

Histone acetyltransferase(HAT)catalyzes histone acetylation and is involved in plant growth and development and stress ***,37 CitHAT genes were identifed in Citrus *** physicochemical properties,chromosomal location,gene structure,conserved domain and motif,and cis-acting elements were *** were classifed into four subfamilies based on protein sequence homology,which was strongly supported by gene structure,conserved domain,and motif *** cis-acting elements in gene promoter regions were predicted to be associated with the regulation of plant growth,stress resistance,and response to *** and transcriptomic analyses of citrus callus with mock treatment and HAT inhibitor treatment revealed that increased citric acid content in inhibitor treatment may be attributed to differential expression of CitPEPCK2 and CitGS2,which may be due to the hypo-acetylation of histone *** expression patterns of CitHATs in citrus fruit development stages showed that CitHAG1. and CitHAG28 exhibited a negative correlation with citric acid *** study associates the potential function of histone acetyltransferases in citrate metabolism and extends the molecular mechanism of citrate metabolism in fruits.

关键词： Citrus histone acetyltransferases citric acid citrate metabolism histone acetylation.

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S-scheme heterojunction of crystalline carbon nitride nanosheets and ultrafine WO_(3)nanoparticles for photocatalytic CO_(2)reduction

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Journal of Environmental Sciences 2024年第6期140卷 103-112页

作者： Gongjie Chen Ziruo Zhou Bifang Li xiahui Lin Can Yang Yuanxing Fang Wei Lin Yidong Hou Guigang Zhang Sibo Wang State Key Laboratory of Photocatalysis on Energy and Environment College of ChemistryFuzhou UniversityFujian 350116China

Highly crystalline carbon nitride polymers have shown great opportunities in overall water photosplitting;however,their mission in light-driven CO_(2)conversion remains to be *** this work,crystalline carbon nitride(CCN)nanosheets of poly triazine imide(PTI)embedded with melon domains are fabricated by KCl/LiCl-mediated polycondensation of dicyandiamide,the surface of which is subsequently deposited with ultrafine WO_(3)nanoparticles to construct the CCN/WO_(3)heterostructure with a S-scheme *** characterizations have been conducted to reveal the compositions and structures of the S-scheme CCN/WO_(3)hybrid,featuring strengthened optical capture,enhanced CO_(2)adsorption and activation,attractive textural properties,as well as spatial separation and directed movement of light-triggered charge *** mild conditions,the CCN/WO_(3)catalyst with optimized composition displays a high photocatalytic activity for reducing CO_(2)to CO in a rate of 23.0μmol/hr(i.e.,2300μmol/(hr·g)),which is about 7-fold that of pristine CCN,along with a high CO selectivity of 90.6%against ***,it also manifests high stability and fine reusability for the CO_(2)conversion *** CO_(2)adsorption and conversion processes on the catalyst are monitored by in-situ diffuse reflectance infrared Fourier transform spectroscopy(DRIFTS),identifying the crucial intermediates of CO_(2)^(*)-,COOH^(*)and CO^(*),which integrated with the results of performance evaluation proposes the possible CO_(2)reduction mechanism.

关键词： Crystalline carbon nitride Photocatalysis CO_(2)reduction S-scheme WO_(3)

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Defect and nanostructure engineering of polymeric carbon nitride for visible-light-driven CO2 reduction

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结构化学 2024年第3期43卷 10-18页

作者： Ziruo Zhou Wenyu Guo Tingyu Yang Dandan Zheng Yuanxing Fang xiahui Lin Yidong Hou Guigang Zhang Sibo Wang State Key Laboratory of Photocatalysis on Energy and Environment College of ChemistryFuzhou UniversityFuzhou350116China College of Environment and Safety Engineering Fuzhou UniversityFuzhou350108China

Sunlight-induced photocatalytic carbon dioxide(CO2)reduction to energy-rich chemicals by metal-free polymeric carbon nitride(CN)semiconductor is a promising tactic for sustained solar fuel ***,the reaction efficiency of CO2 photoreduction is restrained seriously by the rapid recombination of photogenerated carriers on CN ***,we incorporate 2-aminopyridine molecule with strong electron-withdrawing group into the skeleton edge of CN layers through a facile one-pot thermal polymerization strategy using urea as the precursor,which renders a modified carbon nitride(ACN)with extended optical harvesting,abundant nitrogen defects and ultrathin nanosheet ***,the ACN photocatalyst with desirable structural features attains enhanced separation and migration of photoexcited charge *** visible light irradiation with Co(bpy)32+as a cocatalyst,the optimized ACN sample manifests a high CO2 deoxygnative reduction activity and high sta-bility,providing a CO yielding rate of 1. μmol h-1.which is significantly higher than that of pristine *** key intermediates engaged in CO2 photoreduction reaction are determined by the in situ diffuse reflectance infrared Fourier transform spectroscopy,which sponsors the construction of the possible photocatalytic CO2 reduction mechanism on ACN nanosheets.

关键词： Carbon nitride Photocatalysis CO_2 reduction Nitrogen defects Nanosheets

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铅离子-苯甲羟肟酸配合物捕收剂(Pb-BHA)的单晶结构分析

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中国有色金属学报 2024年第1期34卷 302-313页

作者：卫召孙伟韩海生刘叠桂夏辉邢耀文中国矿业大学国家煤加工与洁净化工程技术研究中心徐州221116 中南大学资源加工与生物工程学院长沙410083 中南大学化学化工学院长沙410083

铅离子-苯甲羟肟酸配合物捕收剂(Pb-BHA)在钨矿、锡石和钛铁矿等氧化矿浮选中展现出良好的浮选性能和应用前景,但其精确分子结构尚不清楚,阻碍了配合物浮选作用机理的深入认识和金属基捕收剂分子设计的开展。本文培养了铅离子与BHA摩尔... 详细信息

铅离子-苯甲羟肟酸配合物捕收剂(Pb-BHA)在钨矿、锡石和钛铁矿等氧化矿浮选中展现出良好的浮选性能和应用前景,但其精确分子结构尚不清楚,阻碍了配合物浮选作用机理的深入认识和金属基捕收剂分子设计的开展。本文培养了铅离子与BHA摩尔比分别为1.1.2∶1.两种Pb-BHA配合物单晶(配合物1.配合物2),并采用X射线结构分析方法对其结构进行解析,包括配合物晶体结构、分子结构、空间堆积结构、分子间相互作用等。结果表明:配合物1.分子式为Pb_(6)L_(8)(NO_(3))_(4)(HL=BHA),配合物2的分子式为[Pb_(6)L_(8)(NO_(3))_(3)]NO_(3),铅离子与配体氧原子配位形成非平面“O,O”五元环螯合物构型,铅离子配位数为五配位、六配位和七配位。配合物分子通过Pb—O键与临近配合物相键接形成具有单体重复结构的三维扩展堆积聚合物。配合物中弱相互作用以O…H、H…H、Pb…O为主,π-π相互作用在分子间相互作用中占据主导,其次是N—H…O氢键作用。Pb-BHA配合物单晶结构的综合分析为研究配合物的液相结构及矿物表面吸附结构、浮选行为调控方法、浮选作用机理以及新型金属基捕收剂分子设计等提供了重要研究基础。

关键词：配合物捕收剂单晶 X射线结构分析分子间相互作用

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难浮煤−极性捕收剂相互作用研究新视角:分子对接与诱导契合效应

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煤炭科学技术 2024年第3期52卷 283-290页

作者：蘧鹏程夏阳超薛志刚邢耀文桂夏辉田佳中国矿业大学化工学院江苏徐州221116 中国矿业大学国家煤加工与洁净化工程技术研究中心江苏徐州221116 中南大学资源加工与生物工程学院湖南长沙410083

研究煤泥与浮选药剂间的相互作用将是浮选过程强化的热点和难点,针对难浮煤表面强亲水的化学结构特性,将生物医药领域诱导契合效应引入到难浮煤−极性捕收剂的相互作用研究中。基于煤样性质检测结果,构建了3D煤分子结构,采用原型分子(Pro... 详细信息

研究煤泥与浮选药剂间的相互作用将是浮选过程强化的热点和难点,针对难浮煤表面强亲水的化学结构特性,将生物医药领域诱导契合效应引入到难浮煤−极性捕收剂的相互作用研究中。基于煤样性质检测结果,构建了3D煤分子结构,采用原型分子(Protomol)技术搜索并表示煤分子活性口袋,在活性口袋中搜索极性捕收剂与难浮煤的分子对接最优构象,根据极性药剂与煤分子相互作用最优构象的结合能大小,分析分子对接和诱导契合效应研究结果与浮选结果之间的对应性关系。结果表明分子对接结果与难浮煤可燃体回收率均呈现出十二醇<十二醛<十二酸甲酯的规律,浮选可燃体回收率与分子对接结合能绝对值、煤分子诱导契合效应呈现明显的正相关关系,揭示了分子对接对浮选药剂筛选的指导作用。根据分子对接构型可知结合能存在差异性归因于π-CH作用和空间位阻作用的不同。进而将药剂分子的三维空间进行固定,采用分子力学模拟对三种极型捕收剂与煤分子间“诱导契合效应”进行探索,发现十二酸甲酯与煤分子活性区域能够产生更大的相互作用,煤分子活性区域对十二酸甲酯的诱导效应、包裹性更强,因而在浮选过程中效果更好。采用分子对接和诱导契合效应研究煤分子与药剂相互作用,可为浮选捕收剂的快速筛选提供技术途径和科学指导。

关键词：难浮煤极性捕收剂分子对接对接打分方法诱导契合

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基于煤矸石中锂、镓元素赋存状态的高梯度磁选预富集试验

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洁净煤技术 2024年第1期30卷 154-162页

作者：孙逢帅代世琦王磊邢耀文桂夏辉中国矿业大学炼焦煤资源绿色开发全国重点实验室江苏徐州221116 中国矿业大学国家煤加工与洁净化工程技术研究中心江苏徐州221116 中国矿业大学化工学院江苏徐州221116

我国山西、内蒙古部分矿区煤矸石中蕴藏着锂、镓等战略性关键金属,其锂、镓元素富集逐渐成为研究热点。然而煤矸石中锂、镓含量很低,直接浸出需消耗大量化学药剂,高效、经济的富集锂、镓元素仍存在很大挑战。为提高煤矸石中锂、镓富集效... 详细信息

我国山西、内蒙古部分矿区煤矸石中蕴藏着锂、镓等战略性关键金属,其锂、镓元素富集逐渐成为研究热点。然而煤矸石中锂、镓含量很低,直接浸出需消耗大量化学药剂,高效、经济的富集锂、镓元素仍存在很大挑战。为提高煤矸石中锂、镓富集效率,针对山西朔州地区煤矸石中锂、镓元素赋存状态和预富集方法展开研究。采用逐级化学提取法、矿物物相组成、矿物解离分析、电感耦合等离子体质谱法、扫描电子显微镜和能量色散光谱,研究了煤矸石中锂、镓元素的赋存状态,利用高梯度磁选探究通过抛除黄铁矿对煤矸石中锂、镓元素预富集的可行性。结果表明,煤矸石主要由高岭土、黄铁矿、石英、方解石、白云母等矿物组成,锂、镓元素主要赋存于硅酸盐类矿物中,黄铁矿中含量较少。原矿中锂质量分数1.6.37μg/g,镓质量分数25.04μg/g。通过磁选方法抛除黄铁矿可对煤矸石中锂、镓元素预富集,1.00 mT时,预富集效果最佳,磁选尾矿中锂质量分数21..63μg/g,为原矿中锂含量的1.45倍,锂回收率88.00%。镓质量分数31.88μg/g,高于原矿中镓元素,镓回收率80.07%。

关键词：煤矸石锂镓赋存状态高梯度磁选

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Characteristics and geometry optimization of a hollow cone for guiding and focusing laser light

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Science China(Physics,Mechanics & Astronomy) 2012年第2期55卷 204-212页

作者： ZENG xiahui FAN DianYuan Department of Physics&Electronic Information Engineering Minjiang UniversityFuzhou 350108China Shanghat Instinute of Opttcs and Free Mechantcs Chinese Academy of SciencesShanghai 201800China

A highly focused beam with spot radius of around 1.ktm and enhanced light intensity is obtained by using an open hollow cone. Two-dimensional and three-dimensional finite-difference time-domain simulations are performed for clarifying light propagation characteristics and the cone geometry dependence of the cone-focused laser light. Two important parameters characterizing the cone-focusing effect are introduced, which are opening angle and cone tip size. By changing these parameters, the laser intensification, field spatial distribution at the cone tip and the near-field transmission can be controlled. Understanding this is quite important in designing the optimum cone shape for fast ignition and determining the basis for using hollow cone targets as devices for generating high energy charged particles.

关键词： laser beam focusing hollow cone finite-difference time-domain (FDTD) method

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水蒸气在褐煤孔隙中的吸附行为:试验研究与分子动力学模拟

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洁净煤技术 2024年第5期30卷 162-171页

作者：王成勇邢耀文王市委陈鹏李吉辉桂夏辉六盘水师范学院矿业与机械工程学院贵州六盘水553004 中国矿业大学国家煤加工与洁净化工程技术研究中心江苏徐州221116 中国矿业大学(北京)化学与环境工程学院北京100083

深入理解水在褐煤上的吸附是褐煤干燥提质技术的理论基础之一。采用傅里叶变换红外光谱(FTIR)、扫描电子显微镜(SEM)和低温氮吸附/脱附试验分析了褐煤的含氧官能团和孔隙结构,利用水蒸气吸附/脱附试验和分子动力学(MD)模拟探究了水蒸气... 详细信息

深入理解水在褐煤上的吸附是褐煤干燥提质技术的理论基础之一。采用傅里叶变换红外光谱(FTIR)、扫描电子显微镜(SEM)和低温氮吸附/脱附试验分析了褐煤的含氧官能团和孔隙结构,利用水蒸气吸附/脱附试验和分子动力学(MD)模拟探究了水蒸气在褐煤孔隙中的吸附行为。研究结果表明:褐煤样品丰富的含氧官能团和较多的微孔、中孔(孔径约2 nm),为水蒸气提供了吸附位点和吸附场所。水蒸气在煤样上的吸附过程可分为3个阶段。第1.段,相对蒸气压(P/P_(0))1.水分子直接吸附于含氧官能团上,此时的吸附速度最大;第2阶段(P/P_(0)=0.21.1.,水分子与已吸附的水分子相互作用,促使水团簇逐渐生长;第3阶段(P/P_(0)≥0.71.,水团簇填充孔隙,并发生毛细凝聚,此时的吸附速度略大于第2阶段。根据Dent模型对水蒸气吸附等温线的拟合结果,吸附类型属于多级吸附,包括初级吸附(第1.段)和次级吸附(第2、3阶段)。初级吸附能(-48.77 kJ/mol)显著大于水的液化热(E L=-43.99 kJ/mol),而次级吸附能(-42.28 kJ/mol)略小于E L,表明吸附于褐煤的水呈液态。水蒸气脱附过程存在明显的脱附迟滞现象,表明水蒸气吸附稳定,较难去除,其中高压迟滞发生在P/P_(0)≈0.4~0.9,主要由毛细凝聚和“墨水瓶”效应引起;而低压迟滞发生在P/P_(0)1.^(-5)cm^(2)/s)与液态水的分子扩散系数相近。

关键词：褐煤孔隙结构含氧官能团水蒸气吸附 Dent模型分子动力学模拟

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Adhesion forces for water/oil droplet and bubble on coking coal surfaces with different roughness

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International Journal of Mining Science and Technology 2021年第4期31卷 681-687页

作者： Chunyun Zhu Guosheng Li Yaowen Xing xiahui Gui Chinese National Engineering Research Center of Coal Preparation and Purification China University of Mining and TechnologyXuzhou 221116China School of Chemical Engineering and Technology China University of Mining and TechnologyXuzhou 221116China School of Chemical Engineering and Technology Zhengzhou UniversityZhengzhou 450052China

Surface roughness plays a significant role in floatability of *** the present paper,coking coal surface was polished by three different sandpapers and the surface properties were characterized by contact angle and roughness *** effect of surface roughness on floatability was investigated by adhesion force measurement system for measuring interaction forces between droplets/bubbles and coking coal surfaces with different *** results showed that the contact angle decreased with increasing roughness yet the adhesion force between the water droplet and coal surface increased owing to the increased contact line and the appearance of line *** adhesion forces between water and surfaces were 1.1.70,1.5.48,and 1.6.42μN when the roughness was 0.23,0.98,and 2.79 μm,*** contrast,under a liquid environment,the adhesion forces between air bubble/oil droplet and coal surfaces were decreased with increasing roughness because of the restriction by *** adhesion forces of increasing roughness were 97.1.,42.76,and 1..86 μN measured at interfaces between air bubble and coal surfaces and 1.9.48,1.5.84,and 1.1.02 lN between oil droplet and surfaces,*** roughness could be beneficial to the spreading of oil droplets and the adhesion of bubbles which is conducive to flotation separation.

关键词： Adhesion force Water/oil droplet Air bubble Roughness Floatability

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