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固氮酶的化学模拟机理初探 被引量:1
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作者 伍佑华 《化学教学》 CAS 北大核心 2003年第5期26-28,共3页
固氮酶的研究在近来备受重视 ,本文着重对近来固氮酶的研究成果进行综述 ,特别是固氮酶的组成。
关键词 固氮酶 化学模拟机理 催化 组成 作用机理 生物固氮
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离子型稀土矿浸出过程的数值模拟
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作者 曾晨 曾嘉 +3 位作者 徐进 罗迪强 崔佳鑫 鄂殿玉 《有色金属科学与工程》 CAS 北大核心 2024年第6期932-940,共9页
稀土元素具有优异的物理化学性质,包括在光学、电学、磁学性能等方面表现出色,在军工、光纤通信、航天航空等高新技术核心科技领域具有难以替代的作用。当前稀土矿的浸出效率不高,提升其浸出效率并深入了解其内部反应机制具有重要意义... 稀土元素具有优异的物理化学性质,包括在光学、电学、磁学性能等方面表现出色,在军工、光纤通信、航天航空等高新技术核心科技领域具有难以替代的作用。当前稀土矿的浸出效率不高,提升其浸出效率并深入了解其内部反应机制具有重要意义。对于深入理解浸出过程的内部反应机制在实验研究中面临直接观察和测量的困难,本工作基于计算流体力学方法融合收缩未反应芯模型构建了二维机理仿真模型,采用经验证的该模型研究浸出过程中的组分变化及孔隙率、浸取剂初速度对浸取过程的影响。结果表明:稀土矿层体积分数在反应600min后从初始的65%减少至58.4%;稀土矿孔隙率变大时稀土浸出率反而越小;浸取剂入口流速越大稀土浸出率越大,但增幅放缓,在追求较大的稀土浸出率的同时,为了有效控制生产成本,建议入口流速控制在0.004~0.006m/s之间。 展开更多
关键词 离子型稀土 机理模拟 离子交换反应 过程优化
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基于原位自适应制表与动态自适应机理的无焰燃烧氮转化研究
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作者 成鹏飞 李鹏飞 +3 位作者 刘璐 胡帆 柳朝晖 郑楚光 《洁净煤技术》 CAS 北大核心 2022年第8期102-111,共10页
基于耦合含氮详细反应机理的有限速率模拟,可考虑无焰燃烧的强烈湍流化学反应交互,并提高燃烧关键参数及NO生成的数值预测精度。建立合理的计算加速方法可在不显著牺牲模拟精度的条件下实现大幅度计算加速。基于CH_(4)/H_(2)热伴流无焰... 基于耦合含氮详细反应机理的有限速率模拟,可考虑无焰燃烧的强烈湍流化学反应交互,并提高燃烧关键参数及NO生成的数值预测精度。建立合理的计算加速方法可在不显著牺牲模拟精度的条件下实现大幅度计算加速。基于CH_(4)/H_(2)热伴流无焰燃烧高保真数值模拟,发展了原位自适应制表与动态自适应机理耦合计算方法并进一步分析了无焰燃烧氮转化机制。评估发现耦合计算方法相较于单一算法,可保证模拟所需的较高精度并成倍提高计算速度。合理的误差阈值可进一步优化计算,且动态自适应机理简化阈值为10^(-2)时综合最佳。耦合计算方法对高复杂度机理有更大的简化空间,如某含氮详细反应机理(151种组分、1397步反应)经简化后可获得约10.8倍的计算加速。基于经实验验证的模拟结果和氮转化路径分析,CH_(4)/H_(2)热伴流无焰燃烧NO生成主要取决于NNH路径和N_(2)O中间体路径,热力型NO与快速型NO可忽略不计。相较于原位自适应制表法,基于耦合计算方法的氮转化路径分析可保留主要NO反应路径并适当精简。 展开更多
关键词 无焰燃烧 详细机理模拟 IAST-DAC耦合计算 氮转化分析
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芳烃生产工艺改进与经济性分析 被引量:1
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作者 杨明磊 徐志海 李智 《现代化工》 CAS CSCD 北大核心 2020年第10期207-211,共5页
围绕芳烃生产过程节能降耗需求,采用Aspen模拟平台建立了二甲苯精馏单元、吸附分离单元、异构化单元机理模型,并以此为基础进行模拟仿真,提出了从二甲苯精馏塔侧线采出OX的工艺改进方案。在工业操作条件下,考察了二甲苯精馏塔不同塔板... 围绕芳烃生产过程节能降耗需求,采用Aspen模拟平台建立了二甲苯精馏单元、吸附分离单元、异构化单元机理模型,并以此为基础进行模拟仿真,提出了从二甲苯精馏塔侧线采出OX的工艺改进方案。在工业操作条件下,考察了二甲苯精馏塔不同塔板位置对侧线OX最大抽出量的影响规律,并获得最优采出位置和采出量;结合实际工业对象,分析了侧线抽出方案对吸附分离和异构化单元能耗的联动效应,并对芳烃全流程生产的经济性进行测算。结果表明,侧线抽出可直接减少13.25 t/h的大循环量,显著降低吸附分离单元能耗,同时也重新配置了精馏单元芳烃资源,降低了精馏单元内部能耗,为芳烃生产节能降耗提供了有益思路。 展开更多
关键词 芳烃生产 机理模拟 工艺改进 经济性分析
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储集层参数动态地质模型的建立——以胜坨油田二区沙二段1^2层为例 被引量:9
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作者 孙焕泉 孙国 +2 位作者 吴素英 程会明 赵嘉陵 《石油勘探与开发》 SCIE EI CAS CSCD 北大核心 2004年第B11期89-91,共3页
胜坨油田二区沙二段12层注水开发38年,含水已高达96%以上,处于特高含水阶段。通过检查井岩心资料分析了不同含水阶段储集层参数的变化,认为渗透率是变化最明显的参数,且有随着含水的上升渗透率升高的规律。通过室内渗流物理模拟实验建... 胜坨油田二区沙二段12层注水开发38年,含水已高达96%以上,处于特高含水阶段。通过检查井岩心资料分析了不同含水阶段储集层参数的变化,认为渗透率是变化最明显的参数,且有随着含水的上升渗透率升高的规律。通过室内渗流物理模拟实验建立了该层渗透率随含水率变化的定量表达式,并对储集层参数的变化机理进行了研究,最终利用神经网络储集层定量建模技术,建立了渗透率随含水率变化的动态地质模型。 展开更多
关键词 储集层参数 渗流物理模拟:变化机理 定量表达式 动态地质模型
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Numerical simulation of direct shear tests on mechanical properties of talus deposits based on self-adaptive PCNN digital image processing 被引量:5
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作者 王盛年 徐卫亚 +1 位作者 石崇 张强 《Journal of Central South University》 SCIE EI CAS 2014年第7期2904-2914,共11页
The macro mechanical properties of materials with characteristics of large scale and complicated structural composition can be analyzed through its reconstructed meso-structures.In this work,the meso-structures of tal... The macro mechanical properties of materials with characteristics of large scale and complicated structural composition can be analyzed through its reconstructed meso-structures.In this work,the meso-structures of talus deposits that widely exist in the hydro-power engineering in the southwest of China were first reconstructed by small particles according to the in-situ photographs based on the self-adaptive PCNN digital image processing,and then numerical direct shear tests were carried out for studying the mechanical properties of talus deposits.Results indicate that the reconstructed meso-structures of talus deposits are more consistent with the actual situation because the self-adaptive PCNN digital image processing has a higher discrimination in the details of soil-rock segmentation.The existence and random distribution of rock blocks make the initial shear stiffness,the peak strength and the residual strength higher than those of the "pure soil" with particle size less than 1.25 cm apparently,but reduce the displacements required for the talus deposits reaching its peak shear strength.The increase of rock proportion causes a significant improvement in the internal friction angle of talus deposit,which to a certain degree leads to the characteristics of shear stress-displacement curves having a changing trend from the plastic strain softening deformation to the nonlinear strain hardening deformation,while an unconspicuous increase in cohesion.The uncertainty and heterogeneity of rock distributions cause the differences of rock proportion within shear zone,leading to a relatively strong fluctuation in peak strengths during the shear process,while movement features of rock blocks,such as translation,rotation and crossing,expand the scope of shear zone,increase the required shear force,and also directly lead to the misjudgment that the lower shear strength is obtained from the samples with high rock proportion.That,however,just explains the reason why the shear strength gained from a small amount of indoor test data is not consistent with engineering practice. 展开更多
关键词 talus deposits digital image processing pulse coupled neural networks(PCNN) direct shear test mechanical property granular discrete element method
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Mechanism of bioleaching chalcopyrite by Acidithiobacillus ferrooxidans in agar-simulated extracellular polymeric substances media 被引量:4
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作者 余润兰 谭建锡 +2 位作者 顾帼华 胡岳华 邱冠周 《Journal of Central South University》 SCIE EI CAS 2010年第1期56-61,共6页
The mechanism of leaching chalcopyrite by Acidithiobacillus ferrooxidans (,4. ferrooxidans) in agar-simulated extracellular polymeric substances (EPS) media was investigated. The results indicate that bacterial EP... The mechanism of leaching chalcopyrite by Acidithiobacillus ferrooxidans (,4. ferrooxidans) in agar-simulated extracellular polymeric substances (EPS) media was investigated. The results indicate that bacterial EPS can release H+ and concentrate Fe3+; Fe2+ is movable between agar-simulated EPS phase and bulk solution phase, but it is difficult for Fe3+ to move due to its hydroxylation and EPS complex action; A. ferrooxidans first prefer Fe2+ as energy to metabolize compared with chalcopyrite, and a suitable simulated EPS environment for bacterial living is at about pH 1.8; the iron precipitates and jarosites formed by a lot of biologically oxidized Fe3 cover the simulated EPS easily and form an impermeable deposit acting as a limited barrier of ion transport that attenuates the aggressiveness of the bioleaching attack. The EPS layer blocked by iron precipitates or jarosites is responsible for the chalcopyrite passivation. 展开更多
关键词 Acidithiobacillusferrooxidans CHALCOPYRITE agar-simulated EPS media BIOLEACHING MECHANISM
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A novel digital control strategy of three-phase shunt active power filter under non-ideal mains voltages 被引量:1
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作者 胡志坤 陈志文 +2 位作者 华长春 王会海 丁家峰 《Journal of Central South University》 SCIE EI CAS 2011年第6期2021-2030,共10页
A novel control strategy for three-phase shunt active power filter (SAPF) was proposed to improve its performance under non-ideal mains voltages. The approach was inspired by our finding that the classic instantaneous... A novel control strategy for three-phase shunt active power filter (SAPF) was proposed to improve its performance under non-ideal mains voltages. The approach was inspired by our finding that the classic instantaneous reactive power theory based algorithm was unsatisfactory in terms of isolating positive sequence fundamental active components exactly under non-ideal mains voltages. So, a modified ip-iq reference current calculation method was presented. With usage of the new method, not only the positive sequence but also the fundamental active current components can be accurately isolated from load current. A deadbeat closed-loop control model is built in order to eliminate both delay error and tracking error between reference voltages and compensation voltages under unbalanced and distorted mains voltages. Computer simulation results show that the proposed strategy is effective with better tracking ability and lower total harmonic distortion (THD). The strategy is also applied to a 10 kV substation with a local electrolysis manganese plant injecting a large amount of harmonics into the power system, and is proved to be more practical and efficient. 展开更多
关键词 non-ideal mains voltage deadbeat control fundamental positive sequence active current shunt active power filter
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Model test to investigate failure mechanism and loading characteristics of shallow-bias tunnels with small clear distance 被引量:11
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作者 雷明锋 林大涌 +3 位作者 杨伟超 施成华 彭立敏 黄娟 《Journal of Central South University》 SCIE EI CAS CSCD 2016年第12期3312-3321,共10页
Based on the similarity theory,a tunnel excavation simulation testing system under typical unsymmetrical loading conditions was established.Using this system,the failure mechanism of surrounding rock of shallow-bias t... Based on the similarity theory,a tunnel excavation simulation testing system under typical unsymmetrical loading conditions was established.Using this system,the failure mechanism of surrounding rock of shallow-bias tunnels with small clear distance was analyzed along with the load characteristics.The results show that:1) The failure process of surrounding rock of shallow-bias tunnels with small clear distance consists of structural and stratum deformation induced by tunnel excavation; Microfracture surfaces are formed in the tunnel surrounding rock and extend deep into the rock mass in a larger density; Tensile cracking occurs in shallow position on the deep-buried side,with shear slip in deep rock mass.In the meantime,rapid deformation and slip take place on the shallow-buried side until the surrounding rocks totally collapse.The production and development of micro-fracture surfaces in the tunnel surrounding rock and tensile cracking in the shallow position on the deep-buried side represent the key stages of failure.2) The final failure mode is featured by an inverted conical fracture with tunnel arch as its top and the slope at tunnel entrance slope as its bottom.The range of failure on the deep-buried side is significantly larger than that on the shallow-buried side.Such difference becomes more prominent with the increasing bias angle.What distinguishes it from the "linear fracture surface" model is that the model proposed has a larger fracture angle on the two sides.Moreover,the bottom of the fracture is located at the springing line of tunnel arch.3) The total vertical load increases with bias angle.Compared with the existing methods,the unsymmetrical loading effect in measurement is more prominent.At last,countermeasures are proposed according to the analysis results: during engineering process,1) The surrounding rock mass on the deep-buried side should be reinforced apart from the tunnel surrounding rock for shallow-buried tunnels with small clear distance; moreover,the scope of consolidation should go beyond the midline of tunnel(along the direction of the top of slope) by 4 excavation spans of single tunnel.2) It is necessary to modify the load value of shallow-bias tunnels with small clear distance. 展开更多
关键词 shallow-bias tunnels with small spacing failure mechanism loading characteristics model test
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