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Molecular dynamics simulations of helium transport through inorganic mineral nanopores

Science China Earth Sciences 2025年第1期68卷 237-252页

作者： Dandan SONG Ping GUAN Chi ZHANG jiahao ren School of Earth and Space Sciences Peking University

Helium transport through nanoscale inorganic mineral pores and pore throats is essential for its overall migration. To elucidate helium's transport dynamics within nanopores, we employed equilibrium and non-equilibrium molecular dynamics simulations to investigate helium's static self-diffusion and pressure-driven flow in quartz slit-shaped nanopores. We also introduced water and various gases, including hydrogen, methane, ethane, nitrogen, and carbon dioxide, into the nanopores to assess their influence on helium transport. Our findings indicate minimal helium adsorption on quartz pore surfaces. Under conditions where the pore size is less than 5 nm and the pressure under 10 MPa, environmental factors markedly influence helium diffusion. Large pore sizes, high temperatures, and low gas pressures enhance helium desorption and facilitate faster diffusion. We observed a positive correlation between helium flow velocity and factors such as pore size, pressure gradient, and surface smoothness of the pores. Notably, the presence of pore water and carrier gases in quartz nanopores, which diffuse more slowly than helium, tends to reduce helium surface adsorption and slow its diffusion. Among the carrier gases studied, nitrogen showed similar adsorption capacity, diffusivity, and stability to helium, while carbon dioxide displayed the highest adsorption capacity and the slowest diffusion rate, markedly differing from helium. Based on the simulation results, we concluded that water and carrier gases primarily function as transport mediums in helium migration, moving together with helium. Nitrogen, which shares similar properties with helium, effectively assists in this co-migration process. Conversely, carbon dioxide, due to its high adsorption capacity and slow diffusion, tends to be lost during co-migration. As a result, gas reservoirs with high nitrogen levels and low carbon dioxide levels are more likely to have higher helium concentrations. Additionally, the smaller por

关键词： Helium transport Slit nanopores Molecular dynamics simulations Diffusion Flow carriers

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Predicting adsorption ability of adsorbents at arbitrary sites for pollutants using deep transfer learning

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npj Computational Materials 2021年第1期7卷 220-228页

作者： Zhilong Wang Haikuo Zhang jiahao ren Xirong Lin Tianli Han Jinyun Liu Jinjin Li National Key Laboratory of Science and Technology on Micro/Nano Fabrication Shanghai Jiao Tong UniversityShanghaiChina Key Laboratory for Thin Film and Microfabrication of Ministry of Education Department of Micro/Nano-electronicsShanghai Jiao Tong UniversityShanghaiChina Key Laboratory of Functional Molecular Solids of Ministry of Education Anhui Provincial Engineering Laboratory for New-Energy Vehicle Battery Energy-Storage MaterialsAnhui Laboratory of Molecule-Based MaterialsCollege of Chemistry and Materials ScienceAnhui Normal UniversityWuhuAnhuiChina

Accurately evaluating the adsorption ability of adsorbents for heavy metal ions(HMIs)and organic pollutants in water is critical for the design and preparation of emerging highly efficient ***,predicting adsorption capabilities of adsorbents at arbitrary sites is challenging,with currently unavailable measuring technology for active sites and the corresponding ***,we present an efficient artificial intelligence(AI)approach to predict the adsorption ability of adsorbents at arbitrary sites,as a case study of three HMIs(Pb(Ⅱ),Hg(Ⅱ),and Cd(Ⅱ))adsorbed on the surface of a representative two-dimensional graphitic-C_(3)N_(4).We apply the deep neural network and transfer learning to predict the adsorption capabilities of three HMIs at arbitrary sites,with the predicted results of Cd(Ⅱ)>Hg(Ⅱ)>Pb(Ⅱ)and the root-mean-squared errors less than 0.1 *** proposed AI method has the same prediction accuracy as the ab initio DFT calculation,but is millions of times faster than the DFT to predict adsorption abilities at arbitrary sites and only requires one-tenth of datasets compared to training from *** further verify the adsorption capacity of g-C_(3)N_(4) towards HMIs experimentally and obtain results consistent with the AI *** indicates that the presented approach is capable of evaluating the adsorption ability of adsorbents efficiently,and can be further extended to other interdisciplines and industries for the adsorption of harmful elements in aqueous solution.

关键词： Pb(Ⅱ) adsorption adsorbent

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Variation characteristics of acid rain in Zhuzhou,Central China over the period 2011-2020

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Journal of Environmental Sciences 2024年第4期138卷 496-505页

作者： jiahao ren Liquan Zhu Xi Zhang Yuqian Luo Xuecai Zhong Bowen Li Yuwen Wang Kai Zhang State Key Laboratory of Environmental Criteria and Risk Assessment Chinese Research Academy of Environmental SciencesBeijing 100012China Zhuzhou Environment Monitoring Center Zhuzhou 412000China Faculty of Environmental Engineering The University of Kitakyushu1–1 HibikinoWakamatsuKitakyushuFukuoka 808-0135Japan College of Natural Resources and Environment South China Agricultural UniversityGuangzhou 510642China

Zhuzhou was one of the most polluted cities in China with the serious acid *** to the implementation of air pollution control measures from 2016 to 2018,the acid rain pollution in this city has *** order to understand the recent situation,a comprehensive study on the acid rain was carried out from January 2011 to December *** pH values during the study period varied from 3.3 to 7.5,with a volume-weighted mean value of *** predominant acidic components of the precipitation were SO_(4)^(2-)and NO_(3)^(-),accounting for 89.3% of the total *** ratio of non-sea-salt SO_(4)^(2-)to NO_(3)^(-)showed a decreasing trend,revealing that the pollution type of acid rain changed from sulfuric acid type to sulfuric acid and nitric acid compound *** correlation analysis(p<0.05)showed that SO_(4)^(2-)was positively correlated with NH_(4)^(+),Ca^(2+),and Mg^(2+);hence,it predominated in precipitation as(NH_(4))_(2)SO_(4),NH_(4)HSO_(4),CaSO_(4),and MgSO_(4).Significant positive correlation of Ca^(2+)with Mg^(2+)shows that they may originated mainly from *** positive correlation between SO_(4)^(2-)and F^(-)and Cl^(-)indicate that their source may be related to the non-ferrous metal smelting industry in *** correlation analysis shows that emissions from the non-ferrous metal smelting industry in the area have a large significant on SO_(4)^(2-)and F^(-)in precipitation,while Cl^(-)may still be emitted from other anthropogenic sources.

关键词： Acid rain pH Chemical composition Neutralization factor Correlation analysis

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Dopaminergic projections from the ventral tegmental area to the insula cortex contribute to neuropathic pain modulation

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解剖学杂志 2021年第S1期44卷 73-74页

作者： ren jiahao Li Jiani Yang Bai Dong Yulin Hui Li Li Yunqing Department of Anatomy&K.K.Leung Brain Research Centre Air Force Medical UniversityXi'an 710032China

Ventral tegmental area(VTA),which is well-documented as a modulatory center of reward and addiction,has been demonstrated to participate in pain *** addition,insula cortex(IC)has also been proved to be related with maintenance of neuropathic *** the present study,in order to clarify whether there exist dopaminergic projections from the VTA to the IC,retrograde and anterograde tracing methods combined with immunofluorescent histochemical staining were *** results revealed that almost all VTA-IC-projecting neurons originated from the VTA were dopaminergic neurons,with smaller amount of GABAergic neurons sending projection fiberss to the IC.

关键词： pain cortex Dopamine

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Neurons expressing distinct receptors in ventral lateral periaqueductal gray exhibit different modulatory roles in pain and itch sensation

Neurons expressing distinct receptors in ventral lateral per...

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中国解剖学会2021年年会

作者： Li Jiani ren jiahao Li Hui Dong Yulin Li Yunqing Department of Anatomy and K.K.Leung Brain Research Centre The Fourth Military Medical University

Ventral lateral periaqueductal gray (vlPAG) is an essential transmit node in descending transmission ***,whether neurons expressing different receptors in vlPAG paly distinct roles in nociception and pruriception rema...

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纳米零价铁添加对猪粪好氧堆肥碳循环影响机制

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西北农业学报 2023年第8期32卷 1314-1324页

作者：范钰琪任嘉豪西北大学化学与材料科学学院西安710127 东北大学材料科学与工程学院沈阳110819

旨在探究猪粪堆肥过程中添加纳米零价铁(NZVI)对堆肥碳循环的影响。将NZVI以干质量比0、2.5%、5%和7.5%与猪粪和枸杞枝条混合后,进行为期50 d的好氧堆肥。结果表明,在好氧堆肥过程中,堆肥有机质降解率随着NZVI添加比例增加而增加,但NZV... 详细信息

旨在探究猪粪堆肥过程中添加纳米零价铁(NZVI)对堆肥碳循环的影响。将NZVI以干质量比0、2.5%、5%和7.5%与猪粪和枸杞枝条混合后,进行为期50 d的好氧堆肥。结果表明,在好氧堆肥过程中,堆肥有机质降解率随着NZVI添加比例增加而增加,但NZVI添加比例越高,富里酸和胡敏素降解速率越低。同时,NZVI添加增加CO 2和CH 4排放量,分别增加50.82%~1.04倍和1.28倍~1.51倍。进一步分析表明,NZVI的添加提高了Sphaerobacter和Luteimonas相对丰度,促进难降解有机物的降解率。此外,NZVI添加能促进堆肥的脱毒,降低堆肥产品的生物毒性。在堆肥过程中,添加NZVI没有观察到腐殖物质的显著增加,但促进了有机质降解和产品脱毒,因此可用于有机物料的快速堆肥化处理。

关键词：纳米零价铁好氧堆肥碳损失碳循环

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Dopaminergic projections from the ventral tegmental area to the insula cortex contribute to neuropathic pain modulation

Dopaminergic projections from the ventral tegmental area to ...

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中国解剖学会2021年年会

作者： ren jiahao Li Jiani Yang Bai Dong Yulin Hui Li Li Yunqing Department of Anatomy&K.K.Leung Brain Research Centre Air Force Medical University

Ventral tegmental area (VTA), which is well-documented as a modulatory center of reward and addiction,has been demonstrated to participate in pain *** addition,insula cortex (IC) has also been proved to be related with maintenance of neuropathic *** the present study,in order to clarify whether there exist dopaminergic projections from the VTA to the IC,retrograde and anterograde tracing methods combined with immunofluorescent histochemical staining were applied.

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IGBP云检测网格产品升尺度方法及精度评价

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遥感信息 2022年第6期37卷 8-14页

作者：谢涛任佳昊王超南京信息工程大学遥感与测绘工程学院南京210044 南京信息工程大学电子与信息工程学院南京210044

国际地圈生物圈计划(international geo-biosphere program, IGBP)云检测网格产品是利用多特征阈值方法得到的云检测结果,云检测产品作为其他大气产品与陆地产品反演的辅助数据,也是目前云检测研究的检验依据。文章面向IGBP云检测网格... 详细信息

国际地圈生物圈计划(international geo-biosphere program, IGBP)云检测网格产品是利用多特征阈值方法得到的云检测结果,云检测产品作为其他大气产品与陆地产品反演的辅助数据,也是目前云检测研究的检验依据。文章面向IGBP云检测网格产品的特点,提出了迭代聚类的升尺度方法。在此基础上,为在无真实参考数据条件下有效评价升尺度方法的效果,基于欧式距离(Euclidean distance, ED)设计了类内欧氏距离(inner class ED,ICE)和类间欧氏距离(ED between classes, EBC)两种精度评价方法。实验基于风云三号卫星数据,利用ICE、EBC,并结合占比法、相似度、互信息和均方根误差对不同升尺度方法结果开展了综合对比分析与讨论,验证了所提出方法的可行性与有效性。

关键词：云检测产品升尺度迭代聚类类内欧氏距离类间欧氏距离

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特色小镇的国际比较

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河南教育学院学报（哲学社会科学版） 2018年第3期37卷 35-42页

作者：任嘉浩华中师范大学国家文化产业研究中心

当前,以浙江为代表的特色小镇在全国掀起建设新浪潮,成为优化城乡布局、发展文化旅游和特色文化产业的新载体。然而,由于特色小镇发展时间短,尚未形成科学系统的理论政策支撑体系,发展面临诸多制约。以小镇建设的现实背景研究为切入点,... 详细信息

当前,以浙江为代表的特色小镇在全国掀起建设新浪潮,成为优化城乡布局、发展文化旅游和特色文化产业的新载体。然而,由于特色小镇发展时间短,尚未形成科学系统的理论政策支撑体系,发展面临诸多制约。以小镇建设的现实背景研究为切入点,并从国际视野与国外的特色小镇建设进行对比分析,从培植内生力量和外在保障两方面提出特色小镇发展的建议参考,对于优化特色小镇发展环境、提升特色小镇知名度、促进当地经济的发展具有重要意义。

关键词：特色小镇国际借鉴产业特色

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用于动脉血压监测的柔性超声换能器阵列

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仪器仪表学报 2023年第12期44卷 225-234页

作者：刘畅孙贺任佳豪程寰宇谢梦莹刘洋天津大学精密测试技术及仪器全国重点实验室天津300072 宾夕法尼亚州立大学工程科学与力学系美国16802

作为重要的生命体征之一,血压是心血管疾病风险评价指标。中心动脉压与靶器官损害和心血管疾病有很强的病理生理联系,动脉血压监测对心脑血管事件有较高的预测价值,可为人体心脏机能、动脉弹性表征等临床诊断提供依据。本文提出的超声... 详细信息

作为重要的生命体征之一,血压是心血管疾病风险评价指标。中心动脉压与靶器官损害和心血管疾病有很强的病理生理联系,动脉血压监测对心脑血管事件有较高的预测价值,可为人体心脏机能、动脉弹性表征等临床诊断提供依据。本文提出的超声压电换能器阵列相比于传统的刚性超声探头,具有柔性、可以贴合人体颈部的特点。制作并对比了低频(2.5 MHz)和高频(4.5 MHz)的1×16线性超声换能器阵列,两个阵列均在仿组织超声体模上进行了成像,穿透深度分别为90和40 mm。换能器阵列在相控阵聚焦发射模式下已实现对颈动脉的连续血压重复检测。与医用中心动脉压检测仪的测量结果对比表明,在静息状态下柔性阵列与医用检测仪所测血压波形的平均相对误差为3.83%,剧烈运动后平均相对误差为5.47%,动脉血压波形测量结果准确,医用价值丰富。

关键词：柔性超声换能器阵列超声成像实时血压监测动脉波形特征

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