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Theoretical Study About Effects of H20 and Na＋ on Adsorption of CO2 on Kaolinite Surfaces

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Chemical Research in Chinese Universities 2016年第1期32卷 118-126页

作者： WU Dinglu JIANG Wen liu xiaoqiang QIU Nianxiang XUE Ying College of Chemistry Sichuan University Chengdu 610064 P. R. China

The density functional theory（DFT） was used to investigate the adsorptions of carbon dioxide（CO2） on kaolinite surfaces and the influences ofNa＋ and HeO on the adsorption. Both cluster and periodic models of kaolinite were considered. The calculated results indicate that stable complexes can be formed between adsorbed CO2 and the surfaces of kaolinite in the presence or absence of sodium cation and water molecule. The Al-O octahedral surface has a larger adsorption affinity for CO2 than the Si-O tetrahedral surface of kaolinite because the hydroxyl groups of kaolinite Al-O surface present more activity than the basal O atoms of the Si-O tetrahedral surface in the intermolecular interactions. The existence of exchangeable sodium cations exerts the significant effect on the adsorption of CO2 with the dramatic increase of the adsorption energy, while the presence of water molecule decreases the adsorption strength insignificantly. The calculated Gibbs free energies of the adsorption reveal that the adsorptions of CO2 on all the investigated kaolinite surfaces are feasible thermodynamically in the gas phase. Surface free energy was calculated to provide the predictions of the surface stability as a function of temperature.

关键词： Carbon capture, storage, and utilization(CCSU) CO2 Kaolinite Adsorption Density functional theory

MnO_(2) nanosheet modified N, P co-doping carbon nanofibers on carbon cloth as lithiophilic host to construct high-performance anodes for Li metal batteries

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Journal of Energy Chemistry 2022年第6期31卷 270-281,I0008页

作者： xiaoqiang liu Qian Zhang Yiru Ma Zhenzhen Chi Huixiang Yin Jie liu Junfei Huang Ziyang Guo Lei Wang Key Laboratory of Eco-chemical Engineering Taishan Scholar Advantage and Characteristic Discipline Team of Eco-Chemical Process and TechnologyCollege of Chemistry and Molecular EngineeringQingdao University of Science and TechnologyQingdao 266042ShandongChina College of Environment and Safety Engineering Qingdao University of Science and TechnologyQingdao 266042ShandongChina Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) College of ChemistryNankai UniversityTianjin 300071China Key Laboratory of Eco-chemical Engineering Taishan Scholar Advantage and Characteristic Discipline Team of Eco-Chemical Process and TechnologyCollege of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042ShandongChina Shimadzu(China)Co. Ltd.Shenzhen BranchShenzhen 518000GuangdongChina

Lithium (Li) metal batteries have attracted much attention owing to its ultra-high energy ***,as important part of Li metal batteries,Li anodes still face many challenges,mainly including uncontrolled dendritic Li formation,dramatical volume variation and serious ***,manganese dioxide (MnO_(2)) nanosheet modified nitrogen (N),phosphorus (P) co-doping carbon nanofibers(NPC) on carbon cloth (CC)(MnO_(2)@NPC-CC) is successfully fabricated through electrodeposition approach and further treated with Li by the molten-infusion method to prepare Li based Mn@NPC-CC(Li-Mn@NPC-CC) *** synergy of MnO_(2) and NPC obviously increases the reaction rate between MnO_(2)@NPC-CC and Li and guides even Li distribution over infusion ***,theoretical calculation,simulation and experimental results further indicate that N,P,Mn multi-doping effectively improves the superior lithiophilicity of Li-Mn@NPC-CC,which induces uniform Li deposition/dissolution to suppress dendrite growth over ***,conductive and porous NPC matrix not only effectively improves the stability of Li-Mn@NPC-CC,but also provides abundant spaces to accelerate the transfer of ion/electron and buffer electrode dimension variation during ***,Li-Mn@NPC-CC-based symmetric cells exhibit extra-long cycling life (over 2200 h) with small hysteresis of 20 *** the LiMn@NPC-CC anode couples with air,Li iron phosphate (LiFePO_(4)),or hard carbon (C) cathode,the assembled full cells exhibit outstanding performance with low hysteresis and stable cycling ***,the corresponding pouch-typed Li–air cells also exhibit good performance at different bending angles and even power a series of electronic devices.

关键词： N,P co-doped carbon nanofibers on carbon cloth MnO_(2)nanosheet coating Molten-infusion method Li metal anodes Li metal batteries

The highly dispersed Co-based nanoparticles encapsulated into porous N-doping carbon polyhedral with the low content of Ru modification as a promising cathode catalyst for long-life Li-O_(2)batteries

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Nano Research 2022年第4期15卷 3204-3212页

作者： Yiru Ma Huiqi Qu Zhenzhen Chi xiaoqiang liu Yueqin Yu Ziyang Guo Lei Wang Key Laboratory of Eco-chemical Engineering Taishan Scholar Advantage and Characteristic Discipline Team of Eco-chemical Process and TechnologyCollege of Chemistry and Molecular EngineeringQingdao University of Science and TechnologyQingdao 266042China College of Chemistry and Molecular Engineering Qingdao University of Science and TechnologyQingdao 266042China College of Environment and Safety Engineering Qingdao University of Science and TechnologyQingdao 266042China Key Laboratory of Eco-chemical Engineering Taishan Scholar Advantage and Characteristic Discipline Team of Eco-chemical Process and TechnologyCollege of Chemical EngineeringQingdao University of Science and TechnologyQingdao 266042China

Lithium(Li)-O_(2)batteries have triggered worldwide interest due to their ultrahigh theoretical energy ***,it is a long shot for the grand-scale applications of Li-O_(2)battery at current stage owing to its significant polarization,inferior cycling life,and irreversible decomposition of Li2O_(2).Herein,a facile way of preparing the highly dispersed Co-based nanoparticles encapsulated into porous N-doping carbon polyhedral with the low content of Ru modification(LRu@HDCo-NC)is explored through the pyrolysis of Co/Zn based zeolitic imidazole frameworks(ZIFs)containing Ru-based *** with the very small amount of Ru introduction(1.8%),LRu@HDCo-NC still exhibits the superior oxygen evolution reaction/oxygen reduction reaction(OER/ORR)performance and also inhibits side reactions in Li-O_(2)battery because of the abundant pores,plentiful surface N heteroatoms,and highly dispersed metal-based sites which are induced by the volatilization of Zn,and conductive/stable carbon skeleton derived from *** applied in Li-O_(2)batteries,LRu@HDCo-NC cathode delivers a high discharge capacity of 15,973 mAh·g^(-1)at 200 mA·g^(-1),good capacity retention at higher rate(12,362 mAh·g^(-1)at 500 mA·g^(-1))and outstanding stability for>300 cycles with low voltage polarization of<2.3 V under a cut-off capacity of 1,000 mAh·g^(-1)at 500 mA·g^(-1).More critically,a series of ex situ and in situ characterization technologies disclose that the LRu@HDCo-NC cathodes can effectively promote the reversible reactions in Li-O_(2)batteries.

关键词： zeolitic imidazole frameworks Zn volatilization high dispersed Co-based particles Ru modification rechargeable Li-O_(2)batteries

福建三沙湾表层沉积物重金属分布对网箱养殖的响应

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华东师范大学学报（自然科学版） 2024年第1期 144-156页

作者：房易玄李茂田刘晓强宋艳林沐东姚慧锟华东师范大学河口海岸学国家重点实验室上海200241 崇明生态研究院上海202162

近海养殖的快速发展对水环境的影响是生态环境科学研究的热点,但是因重金属随盐度梯度变化产生复杂的保守性–非保守性行为,导致定量评估水产养殖对沉积物重金属污染的影响一直是研究难点.以全球最大的大黄鱼网箱养殖区域——福建三沙... 详细信息

近海养殖的快速发展对水环境的影响是生态环境科学研究的热点,但是因重金属随盐度梯度变化产生复杂的保守性–非保守性行为,导致定量评估水产养殖对沉积物重金属污染的影响一直是研究难点.以全球最大的大黄鱼网箱养殖区域——福建三沙湾作为近海水产养殖的典型区域,根据遥感影像提取的养殖数据,结合33个表层沉积物的7种重金属含量与盐度的曲线,定量分析养殖变化对沉积物重金属污染的影响.结果发现,近15年来,三沙湾网箱养殖面积从9.1 km^(2)增加到33.4 km^(2),每平方公里最大网箱养殖密度从3%增加到22%.导致养殖区亲铜元素Cu、Zn、Cd、Pb平均含量分别比非养殖区增加了44%、11%、15%、17%,盐度的回归线斜率分别减少了27%、35%、18%、2%;同时养殖区亲铁元素Cr、Mn、Ni平均含量分别比非养殖区增加了16%、15%、29%.潜在生态风险评价结果显示,Cd元素是三沙湾表层沉积物中环境污染的潜在元素,三沙湾整体处于中等生态风险水平.

关键词：三沙湾重金属沉积物近海养殖养殖密度

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Paleozoic post-collisional magmatism and high-temperature granulite-facies metamorphism coupling with lithospheric delamination of the East Kunlun Orogenic Belt,NW China

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Geoscience Frontiers 2022年第1期13卷 96-113页

作者： Qian Wang Jiao Zhao Chuanlin Zhang Shengyao Yu Xiantao Ye xiaoqiang liu College of Earth Science and Engineering Shandong University of Science and TechnologyQingdao 266590China Key Laboratory of Marine Geology and Environment Institute of OceanologyChinese Academy of SciencesQingdao 266071China State Key Laboratory of Nuclear Resources and Environment East China University of TechnologyNanchang 330013China College of Oceanography Hohai UniversityNanjing 210098China Key Lab of Submarine Geosciences and Prospecting Techniques MOEInstitute for Advanced Ocean StudyCollege of Marine GeosciencesOcean University of ChinaQingdao 266100China

Lithosphere extension and upwelling of asthenosphere at post-collisional stage of an orogenic cycle generally induce diverse magmatism and/or associated high-temperature metamorphism. Nevertheless, the intimate coexistence of post-collisional magmatic activity and high-temperature metamorphism is *** this contribution, a lithological assemblage composing of diverse magmatic rocks deriving from distinct magma sources and coeval high-temperature metamorphism was identified in eastern ***, ages, mineral chemistry and whole-rock geochemistry demonstrated that those intimately coexistent diverse rocks were genetically related to post-collisional extension. The garnet-bearing mafic granulites in Jinshuikou area interior of the East Kunlun Orogenic Belt are mainly composed of garnet,orthopyroxene, and plagioclase, with peak metamorphic P–T conditions of ~ 701–756 ℃and 5.6–7.0 kbar,representing a granulite-facies metamorphism at 409.7 ± 1.7 Ma. The diverse contemporaneous magmatic rocks including hornblendites, gabbros and granites yield zircon U–Pb ages of 408.6 ± 2.5 Ma,413.4 ± 4.6 Ma, and 387–407 Ma, respectively. The hornblendites show N-MORB-like REE patterns with(La/Sm)Nvalues of 0.85–0.94. They have positive zircon εHf(t) values of 0.1–4.9 and whole-rock εNd(t) values of 3.9–4.7 but relatively high(^(87)Sr/^(86)Sr)_(i)values of 0.7081 to 0.7088. These features demonstrate that the hornblendites derived from a depleted asthenospheric mantle source with minor continental crustal materials in source. As for the gabbros, they exhibit arc-like elemental signatures, low zircon εHf(t) values(-4.3 to 2.5) and variable whole-rock εNd(t) values(-4.9 to 1.2) as well as high(^(87)Sr/86 Sr)ivalues(0.7068 to 0.7126), arguing for that they were originated from partial melting of heterogeneous lithospheric mantle anteriorly metasomatized by subducted-sediment released melts. Geochemistry of the granites defines their strongly peraluminous S-type signatures. Zircon

关键词： East Kunlun orogenic belt Post-collisional extensional collapse Magmatism High-temperature metamorphism Crust-mantle interaction

Experimental study on mechanical and frost heave behaviors of silty clay improved by polyvinyl alcohol and polypropylene fiber

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Research in Cold and Arid Regions 2023年第2期15卷 57-65页

作者： JianKun liu Sergey Tsaybel xiaoqiang liu Li liu XiaoKang Li Xu Li School of Civil Engineering Sun Yat-sen UniversityZhuhaiGuangdong 519082China Key Laboratory of Urban Underground Engineering of Ministry of Education Beijing Jiaotong UniversityBeijing 100044China

Silty clay is widely used as subgrade filler in cold regions,which suffer from frost heave in winter and mud pumping in *** this study,polyvinyl alcohol(PVA)and polypropylene(PP)fiber were used to improve the mechanical and frost heave behavior of silty clay in cold regions,and the direct shear test and one-dimensional frost heave test were employed in studying improvement ***,improvement mechanisms of PVA and PP fiber were analyzed based on test *** main findings are as follows.(1)Both PP and PVA can heighten the strength of silty clay and suppress frost heave,but the PVA solution has a more decisive influence on improving mechanical properties than PP fiber.(2)The improvement mechanism of the PVA solution is *** improvement effect of 2%PVA solution is the best,which can increase the shear strength by approximately 40%–60%at different stress levels and decrease the frost heave ratio from 0.89%to 0.16%at optimal water content.(3)For 2%PVA improved samples,0.25%PP fiber can further increase soil cohesion by approximately 20–30 kPa at different stress levels and further decrease the frost heave ratio from 0.16%to 0.07%at optimal water *** improvement effect is neglectable when the PP fiber content exceeds 0.25%.Overall,2%PVA with 0.25%PP fiber is the optimum combination to improve silty clay in cold regions.

关键词： Frost heave Improved soil Subgrade fillers Polyvinyl alcohol Polypropylene fiber

Petrogenetic contrastive studies on the Mesozoic early stage ore-bearing and late stage ore-barren granites from the southern Anhui Province

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Science China Earth Sciences 2017年第11期60卷 1920-1941页

作者： YAN Jun HOU TianJie WANG AiGuo WANG DeEn ZHANG DingYuan WENG WangFei liu JianMin liu xiaoqiang LI QuanZhong School of Resource and Environmental Engineering Hefei University of TechnologyHefei 230009China Nanjing Institute of Geology and Mineral Resources China Geological SurveyNanjing 210016China 332 Geological Team of Bureau of Geology and Mineral Resources Exploration of Anhui Province Huangshan 245000China

Yanshanian magmatisms are intensive in the southern Anhui Province and can be divided into early （152-137 Ma） and late （136-122 Ma） stages. A Yanshanian granitic zone was found to crop out along Qingshan to Changgai areas in the Ttmxi district in Field investigation which has a genetic link with molybdenum multiple metal mineralization. To be a representative syenitic granite in the southern Anhui Province, the Huangshan pluton has not been found so far to have any genetic link with mineralization. Zircon LA-ICP-MS dating indicate that the four granitic bodies from the Qingshan-Changgai zone have concurrent formed ages from 140~：4 to 141~2 Ma, belonging to the Yanshanian early stage magmatism. However, the Huangshan granite is dated to be 12912 Ma, belonging to the Yanshanian late stage magmatism. The Qingshan-Changgai granites show high SiO2 and K20 contents, low P205 contents and middle A12O3 contents and are high-K calc-alkaline series metaluminum I-type granite. These rocks are characterized by enrichments in the large ion lithophile elements and light rare earth elements （REE）, depletions in the high field-strength elements, and middle degree negative anomalies of Eu, geochemical features of arc or continent crustal derived magma affinities. These rocks have 87Sr/StSr（t） ratios from 0.7120 to 0.7125,εNd（t） values from -7.24 to -4.38 and zircon εHf（t） values of -4.4 to 6.7, similar to that of the coeval ore-bearing granodiorites in the southern Anhui Province. Integrated geochemical studies indicate that the Yanshanian ore-bearing granodiorites were formed by partial melting of the Meso-Neoproterozoic accreted thickened low crust. Meanwhile, the Qingshan-Changgai granites were formed through a AFC process of plagioclase＋amphibole＋Shangxi Group of magmas that formed the ore-bearing granodiorites. The Huangshan granites are characterized by high SiOz and K2O contents, moderate Al2O3 contents, seagull shape REE distributed pattern and distinct Eu negative abnormiti

关键词： Yanshanian Granite Low crust Ore-bearing magmatic rock The south Anhui Province Jiangnan orogenic belt

Polycystic ovary syndrome patients with high BMI tend to have functional disorders of androgen excess:a prospective study

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The Journal of Biomedical Research 2016年第3期30卷 197-202页

作者： Chun Yuan xiaoqiang liu Yundong Mao Feiyang Diao Yugui Cui Jiayin liu The State Key Laboratory of Reproductive Medicine Clinical Center of Reproductive MedicineFirst Affiliated HospitalNanjing Medical University

Biochemical or clinical changes of hyperandrogenism are important elements of polycystic ovary syndrome （PCOS）. There is currently no consensus on the definition and diagnostic criteria of hyperandrogenism in PCOS. The aim of this study was to investigate the complex symptoms of hyperandrogenic disorders and the correlations between metabolism and hyperandrogenism in patients with PCOS from an outpatient reproductive medicine clinic in China. We conducted a case control study of 125 PCOS patients and 130 controls to evaluate differences in body mass index （BMI）, total testosterone （TT）, modified Ferriman-Gallwey hirsutism score, sex hormone binding globulin （SHBG）, homeostasis model assessment-estimated insulin resistance （HOMA-IR） and free androgen index （FAI） between PCOS patients and controls and subgroups of PCOS. The prevalence of acne and hirsutism did not differ significantly between the hyperandrogenic and non-hyperandrogenic subgroup. Patients with signs of hyper- androgenism had significantly higher BMI （P 〈 0.05）, but differences in TT, SHBG, FAI and waist/hip ratio were insignificant. The odds ratio of overweight was calculated for all PCOS patients. Our results suggest that PCOS patients with high BMI tend to have functional disorders of androgen excess; therefore, BMI may be a strong pre-dictor of hyperandrogenism in PCOS.

关键词： polycystic ovary syndrome diagnostic criteria obesity reproductive health long-term weight

Physicochemical and Tribological Properties of Anti-Seize Thread Lubricant

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China Petroleum Processing & Petrochemical Technology 2021年第4期23卷 95-104页

作者： Wang Zhimin Xiang Shuo liu xiaoqiang Bao Yichen Shi Xiuqiang He Yan Chongqing Changshengli Technology Co. Ltd.Chongqing 400039 Army Logistics Academy of PLA Chongqing 401331 Shanghai Nuclear Engineering R&D Institute Co. Ltd.Shanghai 200233

The di-aromatics base oil and graphite powder,blended with the viscosity index improver,and the anti-oxidant and rheological additive,were used to prepare a kind of anti-seize thread *** physical chemistry properties,such as water resistance,thermal oxidation and aging properties,and tribological performance,were evaluated and compared with those of some commercial *** results show that the overall performance of the anti-seize thread lubricant could meet the level of some commercial products,while its some properties such as thermal stability,anti-wear and anti-friction properties were *** said anti-seize thread lubricant is more suitable for use under high temperature conditions.

关键词： anti-seize thread lubricant physicochemical property anti-wear and anti-friction properties high temperature condition