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Diet and physical activity influence the composition of gut microbiota,benefit on Alzheimer's disease
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作者 Jinyue Zhou Min Tang +4 位作者 Wanyi Li Rui Fang Chunlan Tang Qinwen Wang 《Food Science and Human Wellness》 SCIE CSCD 2024年第2期541-555,共15页
Alzheimer's disease is a neurodegenerative disease with complex etiology.Gut microbiota influences the gutbrain axis,which may affect pathways related to the pathogenesis of Alzheimer's disease.Additionally,di... Alzheimer's disease is a neurodegenerative disease with complex etiology.Gut microbiota influences the gutbrain axis,which may affect pathways related to the pathogenesis of Alzheimer's disease.Additionally,diet and physical activity are likely to affect the pathology of Alzheimer's disease as well as the gut microbiota.This demonstrates that it may be possible to prevent or halt the progression of Alzheimer's disease by regulating the gut microbiota using diet and physical activity strategies.Therefore,the present study reviews the association between these two interventions and gut microbiota in the human body.It also summarizes how these two interventions benefit Alzheimer's disease.Furthermore,the primary limitations of these two interventions are discussed and promising strategies are proposed,which may be beneficial to further study and develop the intervening measure for the progression of Alzheimer's disease. 展开更多
关键词 Alzheimer’s disease Gut microbiota Brain-gut axis DIET Physical activity
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Molecular Dynamics, Diffusion Coefficients and Activation Energy of the Electrolyte (Anode) in Lithium (Li and Li+), Sodium (Na and Na+) and Potassium (K and K+)
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作者 Alain Second Dzabana Honguelet Timothée Nsongo +1 位作者 Bitho Rodongo Earvin Loumbandzila 《Modeling and Numerical Simulation of Material Science》 2024年第1期39-57,共19页
This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studi... This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studied;with and without gap. In this work, we present the structural, physical and chemical properties of the lithium, sodium and potassium electrodes. For the structural properties, the cohesive energy and the mesh parameters were calculated, revealing that, whatever the chemical element selected, the compact hexagonal hcp structure is the most stable, followed by the face-centred cubic CFC structure, and finally the BCC structure. The most stable structure is lithium, with a cohesion energy of -6570 eV, and the lowest bcc-hcp transition energy of -0.553 eV/atom, followed by sodium. For physical properties, kinetic and potential energies were calculated for each of the sectioned chemical elements, with lithium achieving the highest value. Finally, for the chemical properties, we studied the diffusion coefficient and the activation energy. Only potassium followed an opposite order to the other two, with the quantities with lacunae being greater than those without lacunae, whatever the multiplicity. The order of magnitude of the diffusion coefficients is given by the relationship D<sub>Li</sub> > D<sub>Na</sub> > D<sub>k</sub> for the multiplicity 6*6*6, while for the activation energy the order is reversed. 展开更多
关键词 Molecular Dynamics Diffusion coefficients Activation Energy LITHIUM Alkali Metals MEAM Potential
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Molecular Dynamics, Physical Properties, Diffusion Coefficients and Activation Energy of the Lithium Oxide (Li-O) and Sodium Oxide (Na-O) Electrolyte (Cathode)
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作者 Alain Second Dzabana Honguelet Abel Dominique Eboungabeka Timothée Nsongo 《Advances in Materials Physics and Chemistry》 CAS 2024年第9期213-234,共22页
This work is a simulation model with the LAMMPS calculation code of an electrode based on alkali metal oxides (lithium, sodium and potassium) using the Lennard Jones potential. For a multiplicity of 8*8*8, we studied ... This work is a simulation model with the LAMMPS calculation code of an electrode based on alkali metal oxides (lithium, sodium and potassium) using the Lennard Jones potential. For a multiplicity of 8*8*8, we studied a gap-free model using molecular dynamics. Physical quantities such as volume and pressure of the Na-O and Li-O systems exhibit similar behaviors around the thermodynamic ensembles NPT and NVE. However, for the Na2O system, at a minimum temperature value, we observe a range of total energy values;in contrast, for the Li2O system, a minimum energy corresponds to a range of temperatures. Finally, for physicochemical properties, we studied the diffusion coefficient and activation energy of lithium and potassium oxides around their melting temperatures. The order of magnitude of the diffusion coefficients is given by the relation Dli-O >DNa-O for the multiplicity 8*8*8, while for the activation energy, the order is well reversed EaNa-O > EaLi-O. 展开更多
关键词 Molecular Dynamics Diffusion coefficients Activation Energy Lithium Oxide sodium Oxide Lennard Jones Potential Data File Atomic and Charge Models CATHODE LAMMPs
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Assessment of perianal fistulizing Crohn’s disease activity with endoanal ultrasound: A retrospective cohort study
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作者 Na Hong Wei-Yong Liu +6 位作者 Jin-Long Zhang Kai Qian Jie Liu Xian-Jun Ye Fei-Yan Zeng Yue Yu Kai-Guang Zhang 《World Journal of Gastrointestinal Surgery》 SCIE 2024年第8期2494-2502,共9页
BACKGROUND Perianal fistulas pose dual challenges to Crohn's disease(CD)patients.Low patient compliance due to the complexity of existing examination methods plagues the treatment and follow-up management of peria... BACKGROUND Perianal fistulas pose dual challenges to Crohn's disease(CD)patients.Low patient compliance due to the complexity of existing examination methods plagues the treatment and follow-up management of perianal CD.AIM To determine the accuracy of endoanal ultrasound(EUS)and shear wave elastography(SWE)for evaluating perianal fistulizing CD(PFCD)activity.METHODS This was a retrospective cohort study.A total of 67 patients from August 2022 to December 2023 diagnosed with CD were divided into three groups:Non-anal fistula group(n=23),low-activity perianal fistulas[n=19,perianal disease activity index(PDAI)≤4],high-activity perianal fistulas(n=25,PDAI>4)based on the PDAI.All patients underwent assessments including EUS+SWE,pelvic magnetic resonance[pelvic magnetic resonance imaging(MRI)],C-reactive protein,fecal calprotectin,CD activity index,PDAI.RESULTS The percentage of fistulas indicated by pelvic MRI and EUS was consistent at 82%,and there was good consistency in the classification of perianal fistulas(Kappa=0.752,P<0.001).Significant differences were observed in the blood flow Limberg score(χ^(2)=8.903,P<0.05)and shear wave velocity(t=2.467,P<0.05)between group 2 and 3.Shear wave velocity showed a strong negative correlation with magnetic resonance novel index for fistula imaging in CD(Magnifi-CD)score(r=-0.676,P<0.001),a weak negative correlation with the PDAI score(r=-0.386,P<0.05),and a weak correlation between the Limberg score and the PDAI score(r=0.368,P<0.05).CONCLUSION EUS combined with SWE offers a superior method for detecting and quantitating the activity of perianal fistulas in CD patients.It may be the ideal tool to assess PFCD activity objectively for management strategies. 展开更多
关键词 Endoanal ultrasound shear wave elastography Perianal fistulizing Crohn’s disease Perianal disease activity index
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Strengthening Active Aging through Older People’s Association and Economic Activity of the Older People in Nepal
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作者 Hom Nath Chalise James Brightman 《Advances in Aging Research》 CAS 2024年第2期15-24,共10页
Aging is a natural lifelong process ending in death. Many older people are living in poverty. Older people are generally considered dependent on others as they grow older. The purpose of this article is to explore the... Aging is a natural lifelong process ending in death. Many older people are living in poverty. Older people are generally considered dependent on others as they grow older. The purpose of this article is to explore the entrepreneurship activities of Nepalese older adults. Data for this study were collected from the project Help Age International (HAI) implemented in Nepal. Qualitative data observations and interviews were used to collect data. The findings of this study show the formation of the Older People’s Association (OPA) has supported many older people to participate outside the home in various social activities. Moreover, regular deposits through OPAs offer little help. OPAs support older people in their need of financial support to implement minor entrepreneurship. Older people who received support were pleased and were actively involved in their activities and also regularly deposited money in them. Subsequently, older people’s participation in social activities has increased and also helped to lower elderly abuse, loneliness, and depression. Local governments should promote such activities which will help with healthy aging. 展开更多
关键词 Aging in Nepal Active Aging Older People’s Association Older People Healthy Aging
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Determination of Natural Logarithm of Diffusion Coefficient and Activation Energy of Thin Layer Drying Process of Ginger Rhizome Slices
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作者 Austin Ikechukwu Gbasouzor Sam Nna Omenyi +1 位作者 Sabuj Mallik Jude E. Njoku 《World Journal of Engineering and Technology》 2024年第1期213-228,共16页
This study is an extension of the previous work done with ARS-680 Environmental Chamber. Drying is a complex operation that demands much energy and time. Drying is essentially important for preservation of ginger rhiz... This study is an extension of the previous work done with ARS-680 Environmental Chamber. Drying is a complex operation that demands much energy and time. Drying is essentially important for preservation of ginger rhizome. Drying of ginger was modeled, and then the effective diffusion coefficient and activation energy were determined. For this purpose, the experiments were done at six levels of varied temperatures: 10°C, 20°C, 30°C, 40°C, 50°C and 60°C. The values of effective diffusion coefficients obtained in this work for the variously treated ginger rhizomes closely agreed with the average effective diffusion coefficients of other notable authors who determined the drying kinetics and convective heat transfer coefficients of ginger slices. 展开更多
关键词 Activation Energy Diffusion coefficients Ginger Rhizomes Drying Model Drying Time Moisture Ratio Thin Layer
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Research on Children’s Game Activity Design Strategies Based on Embodied Cognition Theory
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作者 Xiangmiao He 《Journal of Contemporary Educational Research》 2024年第4期54-58,共5页
Edutainment,in the kindergarten education stage,emphasizes the game as the basic activity and combines the content of education with the form of the game,thus it also forms the educational method of gamification teach... Edutainment,in the kindergarten education stage,emphasizes the game as the basic activity and combines the content of education with the form of the game,thus it also forms the educational method of gamification teaching.Through investigation and analysis,it is found that the current kindergarten game activity design has the problem of improper combination of educational content and game form.The current kindergarten game activity design has problems such as stereotypes,children’s lack of active learning opportunities in activities,teachers’insufficient theoretical understanding,inappropriate teacher guidance methods,and so on.Embodied cognition theory attaches importance to the important role of the body in the development of cognition,provides new guidance for classroom teaching,and opens up a new path for classroom teaching reform.Based on the perspective of embodied cognition theory,the concept of body and mind integration should be adhered to in kindergarten teaching with games as the basic activity,experiential teaching situation should be created,children’s subjective experience should be respected,and games and interactions should be designed to promote children’s physical and mental participation,thus laying a foundation for the realization of children’s individual freedom,autonomy,and all-round development.Therefore,this paper aims at the existing problems in the current kindergarten gamification teaching and discusses the design strategy of children’s game activities based on embodied cognition theory. 展开更多
关键词 Embodied cognition Children’s play Game activity design
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S型异质结光催化剂ZnFe_(2)O_(4)/WO_(3)的构筑及光催化还原CO_(2)性能 被引量:1
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作者 刘平 朱成才 +1 位作者 李艳阳 要红昌 《无机化学学报》 SCIE CSCD 北大核心 2024年第1期197-208,共12页
通过在WO_(3)纳米片表面负载ZnFe_(2)O_(4)纳米颗粒,构建了一系列S型异质结光催化剂ZnFe_(2)O_(4)/WO_(3),并研究了其光催化CO_(2)还原性能。在没有助催化剂和牺牲剂的条件下,所制备的ZnFe_(2)O_(4)/WO_(3)复合材料可对CO_(2)与水蒸汽... 通过在WO_(3)纳米片表面负载ZnFe_(2)O_(4)纳米颗粒,构建了一系列S型异质结光催化剂ZnFe_(2)O_(4)/WO_(3),并研究了其光催化CO_(2)还原性能。在没有助催化剂和牺牲剂的条件下,所制备的ZnFe_(2)O_(4)/WO_(3)复合材料可对CO_(2)与水蒸汽进行光催化反应。优化后的材料光照5 h后CO_(2)还原产物CO和CH_(4)的产量分别为7.87和4.88μmol·g^(-1)。相对于单相组分,CO和CH_(4)的产量明显提高。光催化活性的提高,归因于ZnFe_(2)O_(4)和WO_(3)异质结的形成以及光生载流子的S型电荷传输模式。 展开更多
关键词 CO_(2)还原 光催化活性 ZnFe_(2)O_(4)/WO_(3) 异质结 s型电荷传输模式
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REGRESSION OF ACTIVITY COEFFICIENTS OF 1-1 TYPE POTASSIUM SALT AQUEOUS SOLUTIONS AT 25 ℃ AND OVER WHOLE CONCENTRATION RANGE
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作者 李志伟 朱秀慧 王莉 《Transactions of Tianjin University》 EI CAS 2001年第4期245-250,共6页
The Clegg Pitzer semi empirical thermodynamic equations were applied to the calculation of 1 1 type potassium salt aqueous solution.At 25 ℃ and over the whole concentration range,from 8 single electrolyte solut... The Clegg Pitzer semi empirical thermodynamic equations were applied to the calculation of 1 1 type potassium salt aqueous solution.At 25 ℃ and over the whole concentration range,from 8 single electrolyte solutions (KF,KCl,KBr,KI,KOH,KNO 3,KClO 3,KBrO 3),the parameters W H 2O,KX ,U H 2O,KX ,and B KX were calculated,and then 8 solubility products were calculated.From 9 bi salt saturated aqueous solutions,the parameters W KXY ,U XY ,and Q H 2O,KXY were regressed,the F test was passed. 展开更多
关键词 Clegg Pitzer semi empirical equation activity coefficient sOLUBILITY
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车辆主动悬架自适应变论域T-S模糊控制研究
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作者 李韶华 季广港 +1 位作者 冯桂珍 王贺 《振动.测试与诊断》 EI CSCD 北大核心 2024年第4期733-739,828,共8页
针对传统变论域模糊控制存在过度依赖专家经验、伸缩因子参数不能自适应调整的问题,提出一种车辆主动悬架自适应变论域T-S模糊控制策略,从而提高车辆的行驶平顺性。结合神经网络和T-S模糊推理建立基于自适应神经模糊推理的一阶T-S模糊... 针对传统变论域模糊控制存在过度依赖专家经验、伸缩因子参数不能自适应调整的问题,提出一种车辆主动悬架自适应变论域T-S模糊控制策略,从而提高车辆的行驶平顺性。结合神经网络和T-S模糊推理建立基于自适应神经模糊推理的一阶T-S模糊控制器,利用神经网络的自学习特性产生完善的模糊规则,进而在传统函数型伸缩因子的基础上,将系统误差和误差变化率作为动态参数引入伸缩因子中,实现伸缩因子参数的自适应调整,解决了传统函数型伸缩因子因参数确定难度大导致控制效果差的问题。通过随机工况下的仿真分析和基于相似理论的缩尺实验,对所提出算法的有效性和工况自适应性进行了验证。结果表明,所提出的自适应变论域T-S模糊控制策略具有较强的工况适应性,在不同车速、路面激励下均可有效提高车辆的平顺性并保证轮胎接地安全性。 展开更多
关键词 主动悬架 变论域 伸缩因子 T-s模糊控制 神经模糊系统
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基于TRNSYS的主动式建筑相变蓄冷空调系统模拟
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作者 葛凤华 蔡鸿志 张源 《江苏大学学报(自然科学版)》 CAS 北大核心 2024年第3期330-336,345,共8页
以夏热冬冷地区的办公建筑为例,利用瞬态系统仿真程序(transient system simulation program, TRNSYS)构建主动式相变蓄能地板模块,建立了主动式相变蓄能地板空调系统和常规风机盘管加新风空调系统的仿真模型,对其节能性和经济性进行模... 以夏热冬冷地区的办公建筑为例,利用瞬态系统仿真程序(transient system simulation program, TRNSYS)构建主动式相变蓄能地板模块,建立了主动式相变蓄能地板空调系统和常规风机盘管加新风空调系统的仿真模型,对其节能性和经济性进行模拟计算.以典型日和供冷季晚间蓄冷运行工况为条件,研究冷冻水温对主动式相变蓄能地板的蓄释能特性、室温波动与热泵制冷系数的影响.结果表明:夜间相变蓄冷工况下,在满足每平方米冷负荷为74.78 W情况下,9℃为最佳供水水温;采取晚间低电价时段间歇运行蓄冷热泵的方案,能够有效提高热泵运行时的制冷系数,并降低运行费用;主动式相变蓄能地板空调系统供冷季的能耗相比于常规风机盘管加新风空调系统减少30.5%,运行费用减少44.24%,夏季制冷综合能效比达到了2.38. 展开更多
关键词 相变材料 TRNsYs模拟 主动式蓄能 辐射供冷 系统性能 制冷系数
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Inflammatory bowel diseases patients suffer from significant low levels and barriers to physical activity:The“BE-FIT-IBD”study 被引量:4
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作者 Antonietta Gerarda Gravina Raffaele Pellegrino +9 位作者 Tommaso Durante Giovanna Palladino Rossella D’Onofrio Simone Mammone Giusi Arboretto Salvatore Auletta Giuseppe Imperio Andrea Ventura Mario Romeo Alessandro Federico 《World Journal of Gastroenterology》 SCIE CAS 2023年第41期5668-5682,共15页
BACKGROUND The place regular physical activity(PA)should occupy in managing patients with inflammatory bowel diseases(IBD)is unclear.AIM To assess PA levels and barriers in a southern Italian IBD population.METHODS IB... BACKGROUND The place regular physical activity(PA)should occupy in managing patients with inflammatory bowel diseases(IBD)is unclear.AIM To assess PA levels and barriers in a southern Italian IBD population.METHODS IBD patients with non-severe disease activity[assessed with partial Mayo score for ulcerative colitis(UC)and Harvey-Bradshaw index for Crohn’s disease]were approached to receive an anonymous online questionnaire to assess PA levels using the International Physical Activity Questionnaire(IPAQ)and to assess disease activity as patient-reported outcomes 2(PRO-2)and finally to assess habits,beliefs and barriers in conducting regular PA.Clinical,anthropometric and demographic data of patients were also collected.PA was expressed as continuous units of resting metabolic rate(Met)in min/wk.Three PA groups were identified:Inactive(<700 Met min/wk),sufficiently active(700-2500 Met min/wk)and health enhancing PA(HEPA)(i.e.,HEPA active,>2500 Met min/wk)patients.RESULTS Included patients(219)showed overall PA levels of 834.5 Met min/wk,with a large proportion(94,42.9%)classified as inactive while only a minority(9,4.1%)as health-enhancing PA.Patients without dyslipidaemia(P<0.0001)or on biologics therapy(P=0.022)showed better IPAQ scores in moderate activities.UC PRO-2 correlated negatively with IPAQ intense activities scores(τ=-0.156,P=0.038).PRO-2 did not show notable sensitivity/specificity in predicting IPAQ inactivity(AUC<0.6).IBD activity did not differ between active and inactive patients(P>0.05).Active patients expressed the need to discuss PA with their gastroenterologist.Some barriers(e.g.,diagnosis of IBD and fear of flare-ups after PA)are significantly more reported by inactive patients.CONCLUSION A significant rate of physical inactivity was recorded in this setting.IPAQ showed good feasibility.PA should be an element of discussion in IBD visits assessed quickly with non-invasive questionnaires. 展开更多
关键词 Crohn’s disease Inflammatory bowel disease International Physical activity Questionnaire Physical activity Ulcerative colitis
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Equivalent Activity Coefficient Phenomenon of Cerium Reacting with Lead or Bismuth in Ag, Cu and Zn Alloy 被引量:11
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作者 薛松柏 钱乙余 董健 《Journal of Rare Earths》 SCIE EI CAS CSCD 2002年第6期626-629,共4页
The relation between contents of cerium and impurity lead or bismuth to their activity coefficient in Ag, Cu and Zn-base alloy was calculated and analyzed by using the ternary system Chou model. The thermodynamic calc... The relation between contents of cerium and impurity lead or bismuth to their activity coefficient in Ag, Cu and Zn-base alloy was calculated and analyzed by using the ternary system Chou model. The thermodynamic calculation results show that the 'equivalent activity coefficient phenomenon' emerges among the activity coefficient of solute in a certain range of cerium (or at a certain point) for the Ce-Pb-X and Ce-Bi-X (X=Ag, Cu or Zn) ternary alloy system. Under this condition, the activity coefficient of solute has nothing to do with its own concentration. The preliminary theoretical analysis to this phenomenon was also made. 展开更多
关键词 CERIUM THERMODYNAMICs activity coefficient
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Calculation of Activity Coefficients for Components in Ti-15-3 Melt 被引量:3
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作者 苏彦庆 刘源 +2 位作者 郭景杰 贾均 丁宏升 《Journal of Harbin Institute of Technology(New Series)》 EI CAS 1999年第1期54-57,共4页
Based on Kohler’s ternary solution model and Miedemaa’s model for calculating the heats of formation-△Hij of binary Systems, the integral equation has ben established for calculating the activity coefficients in te... Based on Kohler’s ternary solution model and Miedemaa’s model for calculating the heats of formation-△Hij of binary Systems, the integral equation has ben established for calculating the activity coefficients in ternarysolution. With the equation, the activity coefficients in Ti-15-3 melt have been calculated. The results show that allof components’ activity coefficients are less than 1, in other wolds, compared with ideal solution, all components takeon a negative deviation. At 2000K, the activity coefficients in Ti-15-3 melt are shown as: about 0.9 for Ti, about0.85 for V, about 0. 1 for Al, aboaut 0.5 for Cr and about 0.23 for Sn. me addition of V lowers the activity coefficient of Ti, but raise the ones of Al, Cr and Sn. These results can be directly used to calculate the evaporation loss ofAl, Cr and Sn during the ISM(Induction Skull Melting) process and at the same time estimate the reactivity betweenTi-15-3 melt and refractory during the cast production. 展开更多
关键词 activity coefficient Ti-15-3 alloy IsM process
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Activity coefficients of NiO and CoO in CaO–Al_2O_3–SiO_2 slag and their application to the recycling of Ni–Co–Fe-based end-of-life superalloys via remelting 被引量:2
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作者 Xin Lu Takahiro Miki Tetsuya Nagasaka 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2017年第1期25-36,共12页
To design optimal pyrometallurgical processes for nickel and cobalt recycling, and more particularly for the end-of-life process of Ni-Co-Fe-based end-of-life(EoL) superalloys, knowledge of their activity coefficien... To design optimal pyrometallurgical processes for nickel and cobalt recycling, and more particularly for the end-of-life process of Ni-Co-Fe-based end-of-life(EoL) superalloys, knowledge of their activity coefficients in slags is essential. In this study, the activity coefficients of NiO and CoO in CaO-Al_2O_3-SiO_2 slag, a candidate slag used for the EoL superalloy remelting process, were measured using gas/slag/metal equilibrium experiments. These activity coefficients were then used to consider the recycling efficiency of nickel and cobalt by remelting EoL superalloys using CaO-Al_2O_3-SiO_2 slag. The activity coefficients of NiO and CoO in CaO-Al_2O_3-SiO_2 slag both show a positive deviation from Raoult's law, with values that vary from 1 to 5 depending on the change in basicity. The activity coefficients of NiO and CoO peak in the slag with a composition near B =(%CaO)/(%SiO_2) = 1, where B is the basicity. We observed that controlling the slag composition at approximately B = 1 effectively reduces the cobalt and nickel oxidation losses and promotes the oxidation removal of iron during the remelting process of EoL superalloys. 展开更多
关键词 RECYCLING nickel cobalt END-OF-LIFE sUPERALLOYs activity coefficients REMELTING sLAG
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WO_(3)/Zn_(0.5)Cd_(0.5)S S型异质结光催化产氢耦合有机物转化机理研究 被引量:1
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作者 曹爽 钟博 +2 位作者 别传彪 程蓓 徐飞燕 《物理化学学报》 SCIE CAS CSCD 北大核心 2024年第5期50-54,共5页
开发新型纳米材料实现光催化产氢耦合有机物转化、提高太阳能到化学能的转换效率,在解决能源和环境危机方面具有巨大潜力。三元金属硫化物具有可调控的带隙和优异的可见光响应,在光催化分解水产氢方面引起了广泛关注。其中,Zn_(0.5)Cd_(... 开发新型纳米材料实现光催化产氢耦合有机物转化、提高太阳能到化学能的转换效率,在解决能源和环境危机方面具有巨大潜力。三元金属硫化物具有可调控的带隙和优异的可见光响应,在光催化分解水产氢方面引起了广泛关注。其中,Zn_(0.5)Cd_(0.5)S是一种带隙较窄、导带位置较高、耐光腐蚀的还原型光催化剂;然而,单一Zn_(0.5)Cd_(0.5)S中光生电子和空穴的复合率较高,只有少部分光生载流子参与光催化反应,导致量子效率较低而无法达到实际需求。WO_(3)是一种典型的氧化型光催化剂,具有较低的价带位置和较强的氧化能力,是与Zn_(0.5)Cd_(0.5)S耦合构建S型异质结的理想半导体。基于此,本文通过静电纺丝和水热方法将Zn_(0.5)Cd_(0.5)S纳米片垂直生长在WO_(3)纳米纤维上,制备了具有核壳结构的WO_(3)/Zn_(0.5)Cd_(0.5)S异质结。功函数的差异驱动Zn_(0.5)Cd_(0.5)S的电子转移到WO_(3)上,在界面处形成内建电场并使能带弯曲。通过原位光照X射线光电子能谱、电子顺磁共振和时间分辨荧光光谱分析,发现在内建电场、弯曲能带和库仑吸引力的作用下,WO_(3)导带上的光生电子迁移到Zn_(0.5)Cd_(0.5)S价带上并与其光生空穴复合,表明WO_(3)和Zn_(0.5)Cd_(0.5)S之间形成了S型异质结,实现了具有强氧化还原能力的载流子的高效分离。得益于独特的S型光催化机制以及反应物在催化剂表面的有效吸附与活化,没有贵金属助催化剂的情况下,WO_(3)/Zn_(0.5)Cd_(0.5)S异质结在产氢(715 μmol·g^(-1)·h^(-1))和乳酸转化为丙酮酸方面表现出增强的光催化活性,实现了光生电子和空穴的高效利用。原位漫反射傅里叶变换红外光谱和密度泛函理论计算揭示了光催化产氢和有机物转化的反应机理。本工作为设计和研究新型S型异质结光催化剂、实现高效产氢耦合有机物转化提供了新的见解。 展开更多
关键词 三氧化钨 s型异质结 产氢 有机物转化 化学吸附与活化
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Calculation of Activity Coefficient from Immiscible Binary Alloy Phase Diagram by Means of Modified Sub-regular Solution Model 被引量:3
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作者 张兆春 吴铸 +2 位作者 曾文明 陈念贻 彭瑞伍 《Rare Metals》 SCIE EI CAS CSCD 1998年第3期34-38,共5页
The modified sub regular solution model was used for a calculation of the activity coefficient of immiscible binary alloy systems. The parameters needed for the calculation are the interaction parameters, λ 1 a... The modified sub regular solution model was used for a calculation of the activity coefficient of immiscible binary alloy systems. The parameters needed for the calculation are the interaction parameters, λ 1 and λ 2, which are represented as a linear function of temperature, T . The molar excess Gibbs free energy, G m E, can be written in the form G m E= x A x B[( λ 11 + λ 12 T )+( λ 21 + λ 22 T ) x B ] The calculation is carried out numerically for three immiscible binary alloy systems, Al Pb, Cu Tl and In V. The agreement between the calculated and experimentally determined values of activity coefficient is excellent. 展开更多
关键词 Modified sub regular solution model activity coefficient Immiscible binary alloy system
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Prediction of Infinite Dilution Activity Coefficients of Halogenated Hydrocarbons in Water 被引量:2
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作者 许惠英 闵剑青 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第4期491-497,共7页
Geometrical optimization and electrostatic potential calculations have been performed for a series of halogenated hydrocarbons at the HF/Gen-6d level. A number of electrostatic potentials and the statistically based s... Geometrical optimization and electrostatic potential calculations have been performed for a series of halogenated hydrocarbons at the HF/Gen-6d level. A number of electrostatic potentials and the statistically based structural descriptors derived from these electrostatic potentials have been obtained. Multiple linear regression analysis and artificial neural network are employed simultaneously in this paper. The result shows that the parameters derived from electrostatic 2 potentials σtot^2, V s and ∑ Vs^+, together with the molecular volume (Vine) can be used to express the quantitative structure-infinite dilution activity coefficients (γ^∞) relationship of halogenated hydrocarbons in water. The result also demonstrates that the model obtained by using BFGS quasiNewton neural network method has much better predictive capability than that from multiple linear regression. The goodness of the model has been validated through exploring the predictive power for the external test set. The model obtained via neural network may be applied to predict γ^∞ of other halogenated hydrocarbons not present in the data set. 展开更多
关键词 halogenated hydrocarbons molecular electrostatic potentials infinite dilution activity coefficients (γ^∞) QsPR artificial neural networks
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Prediction of Infinite Dilution Activity Coefficients of Alcohol and Ether Organic Compounds in Water 被引量:2
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作者 王维 许惠英 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第12期1808-1813,共6页
Based on QSPR of alcohol and ether organic compounds in water,geometrical optimization and electrostatic potential calculations were performed at the HF/6-31G* level for 73 alcohol and ether organic compounds.Linear ... Based on QSPR of alcohol and ether organic compounds in water,geometrical optimization and electrostatic potential calculations were performed at the HF/6-31G* level for 73 alcohol and ether organic compounds.Linear relationships between infinite dilution activity coef-ficient(lnγ∞) of alcohols and ethers in water and theoretical descriptors of the molecular structure were established by multiple regression method.The result shows that the parameters derived from molecular electrostatic potential together with molecular surface area can be preferably used to express the quantitative structure-lnγ∞ relationship of alcohols and ethers in water.This reveals that this model has good predictive capabilities(RCV=0.969).The molecular electrostatic potential has also been proved to have the general applicability in QSPR model of alcohol and ether organic compounds about γ∞ in water.The QSPR model established may provide a new powerful method for predicting γ∞ of organic compounds in aqueous systems. 展开更多
关键词 alcohol and ether organic compounds infinite dilution activity coefficient(γ∞) molecular electrostatic potential QsPR
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Measurement of Infinite Diluted Activity Coefficient of Solvents in Polymer by Inverse Gas Chromatography Method 被引量:4
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作者 冯媛媛 叶汝强 刘洪来 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2000年第2期167-170,共4页
The infinite diluted activity coefficients of solvents in polyisopropyl methylacrylate was measured using inverse gas chromatography. The solvents used were benzene, toluene, ethyl benzene, methyl acetate, ethyl aceta... The infinite diluted activity coefficients of solvents in polyisopropyl methylacrylate was measured using inverse gas chromatography. The solvents used were benzene, toluene, ethyl benzene, methyl acetate, ethyl acetate, propyl acetate, butyl acetate, methanol, ethanol isopropyl alcohol, butyl alcohol, 1,2-dichloroethane, and chloroform. It was observed that the infinite diluted activity coefficient of alcohols are well above those of the other solvents investigated. 展开更多
关键词 infinite diluted activity coefficient inverse gas chromatography specific retention volume poly(isopropyl methacrylate) THERMODYNAMICs
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