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Coupled OpenMC/CTF to VERA Core Physics Benchmark Problem 6 耦合OpenMC/CTF到VERA核心物理基准问题6
Pub Date : 2022-08-08 DOI: 10.1115/icone29-92642
Chang Zhang, Ruixiang Wang, Hui Guo, H. Gu, Yao Xiao
The multiple-physics modeling has been demonstrated to be a high-fidelity and effective method for the analysis of reactor core physics and thermal-hydraulics. OpenMC is a community-developed Monte Carlo neutron and photon transport simulation code. CTF is a subchannel thermal-hydraulics code designed for Light Water Reactor analysis. In this work, OpenMC and CTF are coupled for the analysis of light water reactor fuel assembly. OpenMC provides axial and radial fuel pin normalized power distribution to CTF, and CTF gives the fuel temperatures and coolant properties to the neutronics simulation of OpenMC. The windowed multipole temperature method is used in OpenMC to match the accurate temperature distribution of fuel rods and coolants obtained from CTF. In this study, the OpenMC/CTF is applied and validated using the Virtual Environment for Reactor Applications (VERA) core physics benchmark problem 6, from the Consortium for Advanced Simulation of Light Water Reactors. The problem involves a three-dimensional fuel assembly in Hot Full Power conditions. The Keff eigenvalue, pin power distribution, fuel temperatures, and coolant properties are obtained and compared with VERA’s reference results (MPACT/CTF). Our converged results showed good consistency with the reference solution, eigenvalue differences agreed within 183 pcm, axially-integrated normalized radial fission distribution difference agreed within +1.4%/−1.9%, local volume-averaged fuel pin temperatures agreed within +26.3°C, and local subchannel exit coolant temperatures agreed within +3.6°C/−0.4°C. These preliminary solutions prove that OpenMC coupled to CTF method has shown high-fidelity results in the three-dimensional fuel assembly neutronics and thermal-hydraulics coupled problems.
多物理场建模是一种高保真、有效的反应堆堆芯物理和热工分析方法。OpenMC是一个社区开发的蒙特卡罗中子和光子传输模拟代码。CTF是一种用于轻水堆分析的子通道热工程序。在这项工作中,OpenMC和CTF耦合用于轻水反应堆燃料组件的分析。OpenMC为CTF提供轴向和径向燃料销归一化功率分布,CTF为OpenMC的中子模拟提供燃料温度和冷却剂特性。OpenMC采用窗口多极温度法对CTF中燃料棒和冷却剂的精确温度分布进行了匹配。在本研究中,OpenMC/CTF使用来自轻水反应堆高级模拟联盟的反应堆应用虚拟环境(VERA)核心物理基准问题6进行了应用和验证。该问题涉及热全功率条件下的三维燃料组件。获得了Keff特征值、引脚功率分布、燃料温度和冷却剂性能,并与VERA的参考结果(MPACT/CTF)进行了比较。我们的收敛结果与参考解具有良好的一致性,特征值差在183 pcm范围内,轴向积分归一化径向裂变分布差在+1.4%/ - 1.9%范围内,局部体积平均燃料引脚温度在+26.3°C范围内,局部子通道出口冷却剂温度在+3.6°C/ - 0.4°C范围内。这些初步解决方案证明了OpenMC耦合CTF方法在三维燃料组件中子学和热水学耦合问题中显示出高保真的结果。
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引用次数: 0
Neutronics Analysis of Fusion Blanket Based on the Spherical Harmonic Function and Finite Element Method 基于球谐函数和有限元法的熔覆层中子电子学分析
Pub Date : 2022-08-08 DOI: 10.1115/icone29-92622
Kang Li, Liangzhi Cao, Jianxin Miao, Haotong Zhang, Tao Dai
The fusion neutronics simulation has been a great challenge to the numerical calculation of the neutron-transport equation. The key is how to deal with the features of fusion devices, such as large-scale, complex geometric models, large vacuum regions, etc. NECP-FISH, a code developed by Nuclear Engineering Computational Physics (NECP) laboratory of Xi'an Jiaotong University, is used to address this challenge. NECP-FISH adopts a deterministic numerical method instead of the Monte Carlo method because the deterministic numerical method is of higher computational efficiency and costs less computational time. To deal with large vacuum region, large-scale and complex geometric model, the first order neutron-transport equation is solved, the spherical harmonics function and the finite element method are applied to the expansion of angle and space. NECP-FISH has been validated by benchmark problems such as strong absorption problem, internal void problem, and Kobayashi series of problems. What’s more, NECP-FISH builds the user interface based on the platform SALOME so that users can visually build the necessary models for problems. NECP-FISH has been applied to the neutronics calculation of the breeder unit of Helium Cooling Ceramic Breeder (HCCB) and the blanket of CFETR. The numerical results demonstrate that the NECP-FISH code can efficiently solve the neutron transport problem of the fusion reactor.
核聚变中子模拟对中子输运方程的数值计算提出了很大的挑战。关键是如何处理聚变装置的大规模、几何模型复杂、真空区域大等特点。由西安交通大学核工程计算物理(NECP)实验室开发的NECP- fish代码用于解决这一挑战。NECP-FISH采用确定性数值方法代替蒙特卡罗方法,因为确定性数值方法具有更高的计算效率和更少的计算时间。针对大真空区域、大尺度、复杂的几何模型,求解了一阶中子输运方程,应用球面谐波函数和有限元方法进行了角度和空间展开。通过强吸收问题、内空洞问题和Kobayashi系列问题等基准问题对NECP-FISH进行了验证。此外,NECP-FISH还建立了基于SALOME平台的用户界面,用户可以直观地为问题建立必要的模型。NECP-FISH已应用于氦冷却陶瓷增殖装置(HCCB)增殖单元和CFETR包层的中子计算。数值结果表明,NECP-FISH程序能够有效地求解聚变反应堆中子输运问题。
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引用次数: 0
Detection Efficiency Fitting Method Research by Γ-Ray Spectroscopy for Quantitative Nuclear Material Holdup Γ-Ray光谱定量核材料含率检测效率拟合方法研究
Pub Date : 2022-08-08 DOI: 10.1115/icone29-90210
Yurong Li, Sijia Wang, Jing Wang, Lixia He
The term “holdup” refers to nuclear material that has been deposited in the processing facility’s equipment, containers, pipelines, etc. Nuclear material control and accounting require the monitoring of nuclear material holdup in process. Holdup is useful for indicating the state of facility operations, critical radiation safety status, and so on. It is more difficulty to quantitative analyzed nuclear material holdup by destructive analysis method. So non-destructive analysis (NDA) technology for in-situ and on-line measurement satisfied to the actual situation are the most recommended nominator for holdup quantitative analysis. In order to get the detection efficiency of γ-ray spectroscopy for quantitative nuclear material holdup. The intrinsic detection efficiency, geometric detection efficiency, and self-absorption attenuation correction methods are researched in this paper by combining Monte Carlo simulation and experiment. Three-dimensional and the least square fitting methods, and the distribution of the nuclear material holdup in the simulation pipeline system of nuclear facilities’ production line is simplified. Resulted to the experiment, the deviation between declared and the measured value is less than 30%. Compared with the requirements of national nuclear safeguards supervision and the needs of facility operation, the detection efficiency fitting method research by γ-ray spectroscopy for quantitative nuclear material holdup is achievable. It also can be widely used to provide relevant data in radiation dose monitoring, decommissioning source item investigation, and so on.
“滞留物”是指贮存在处理设施的设备、容器、管道等中的核材料。核材料控制和核算要求对核材料在制品滞留情况进行监测。Holdup对于指示设施运行状态、关键辐射安全状态等非常有用。核材料含率的定量分析采用破坏性分析方法较为困难。因此,现场和在线检测的无损分析(NDA)技术是最适合实际情况的含率定量分析方法。为了得到γ射线光谱定量检测核物质含率的效率。本文采用蒙特卡罗仿真与实验相结合的方法,对本征检测效率、几何检测效率和自吸收衰减校正方法进行了研究。采用三维拟合和最小二乘拟合方法,简化了核设施生产线模拟管道系统中核材料含率的分布。实验结果表明,申报值与实测值的偏差小于30%。相对于国家核保障监督的要求和设施运行的需要,采用γ射线能谱法定量研究核材料含率的检测效率拟合方法是可行的。它还可广泛用于辐射剂量监测、退役源项目调查等方面提供相关数据。
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引用次数: 0
A Steady-State Analysis of U-Pu-Zr Metallic Fuel Performance on Constituent Redistribution by Multiphysics Modeling 基于多物理场模型的U-Pu-Zr金属燃料组分重分布特性稳态分析
Pub Date : 2022-08-08 DOI: 10.1115/icone29-92447
Rong Liu, S. Liu, H. Han, Liwen Yang
A Multiphysics approach to calculate the constituent redistribution in U-Pu-Zr metallic fuel is developed in this work and the fuel performance of U-Pu-Zr metallic fuel under normal operating condition is investigated by CAMPUS code where the model of constituent redistribution is applied. The metallic nuclear fuel is proposed to be used as a candidate of Sodium cooled Fast Neutron Reactor fuel due to its superior thermodynamic properties, such as thermal conductivity and heat capacity. Recently, the constituent redistribution is found to be an important phenomenon in the metallic fuel pellet, which influences the thermodynamic properties of metallic fuel greatly. In this work, the properties of metallic fuel and the calculation method of constituent redistribution are introduced firstly. And the model of constituent redistribution in U-Pu-Zr metallic fuel is developed and implemented into CAMPUS code, and then the metallic fuel performance in the sodium-cooled fast reactor is further studied by CAMPUS code under normal operating condition. Thirdly, the model of constituent redistribution is verified and the fuel performance of U-Pu-Zr metallic fuel is presented and discussed. The Zirconium element is found to migrate to the fuel centerline and fuel surface and the performance of the U-Pu-Zr fuel is found to be influenced by the constituent redistribution dramatically.
本文提出了一种计算U-Pu-Zr金属燃料组分再分布的多物理场方法,并利用CAMPUS程序对U-Pu-Zr金属燃料在正常工况下的燃料性能进行了研究。金属核燃料由于其优越的导热性和热容量等热力学性能,被建议作为钠冷却快中子反应堆燃料的候选材料。组分重分布是金属燃料球团中的一个重要现象,对金属燃料的热力学性质有很大的影响。本文首先介绍了金属燃料的性质和成分重分配的计算方法。建立了U-Pu-Zr金属燃料组分重分布模型,并将其应用于CAMPUS程序中,进一步研究了正常工况下钠冷快堆中金属燃料的性能。再次,对成分重分布模型进行了验证,并对U-Pu-Zr金属燃料的燃料性能进行了介绍和讨论。锆元素向燃料中心线和燃料表面迁移,组分重分布对U-Pu-Zr燃料性能有显著影响。
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引用次数: 0
Effect of Cr6+ Concentrations on the Corrosion Behavior of 316LN Stainless Steel in Supercritical Water Cr6+浓度对316LN不锈钢在超临界水中腐蚀行为的影响
Pub Date : 2022-08-08 DOI: 10.1115/icone29-89235
Zhenhe Li, Xi Huang, Zixiong Zhan, Qi Zhao, Junxiong Liu, Lihua Wei, Xiaoyan Li
It is well known that the type and concentration of impurity ions in pressurized water reactor environments will significantly alter the corrosion behavior of materials. However, the effect of these water chemistry parameters on the corrosion behavior of candidate materials for future supercritical water-cooled reactor (SCWR) systems is still a lack of understanding. The type and concentration of impurity ions on the corrosion behavior of candidate materials for future supercritical water-cooled reactor (SCWR) systems is still a lack of understanding. In this study, the effect of Cr6+ concentrations on the corrosion behavior of 316LN stainless steel in 550 °C/25 MPa supercritical water (SCW) was investigated. The results show that the weight gain first decreased and subsequently increased with the increasing of Cr6+ concentration, which is 0.40±0.01 mg/cm2 for 0 ppm, 0.28±0.03 mg/cm2 for 0.1 ppm, 0.55±0.02 mg/cm2 for 1.0 ppm, and 0.59±0.01 mg/cm2 for 50 ppm, respectively. The Fe-rich magnetite oxides were gradually covered on the surface of samples, and its proportion on the surface followed a similar alteration trend as the weight gain, which is 44.3% for 0 ppm, 37.8% for 0.1 ppm, 67.7% for 1 ppm, and 87.6% for 50 ppm. A duplex structure of the oxide films, including an Fe-rich outer magnetite layer and a Cr-rich inner spinel layer, was developed on the regions covered with Fe-rich magnetite oxides. The alternation in the thickness of oxide film followed a similar trend as the weight gain, which is 7.67 μm for 0 ppm, 5.80 μm for 0.1 ppm, 9.97 μm for 1 ppm, and 11.23 μm for 50 ppm. However, a Cr-rich spinel oxide film was formed on the region without Ferich magnetite oxides. The thickness of this oxide film was unchanged regardless of Cr6+ ion concentration, which is about 2 μm, but the concentration of Cr in this oxide film is significantly higher than reference sample. These results indicate that the increasing of Cr6+ concentration in SCW will result in the corrosion rate to decrease first and then increase, which means that some measurements should be conducted during the operation of SCWR to keep a lower concentration of Cr6+.
众所周知,压水堆环境中杂质离子的类型和浓度会显著改变材料的腐蚀行为。然而,这些水化学参数对未来超临界水冷堆(SCWR)系统候选材料腐蚀行为的影响仍然缺乏了解。杂质离子的类型和浓度对未来超临界水冷堆(SCWR)系统候选材料腐蚀行为的影响仍然缺乏认识。研究了不同浓度的Cr6+对316LN不锈钢在550℃/25 MPa超临界水中腐蚀行为的影响。结果表明:随着Cr6+浓度的增加,增重先减小后增大,0 ppm时为0.40±0.01 mg/cm2, 0.1 ppm时为0.28±0.03 mg/cm2, 1.0 ppm时为0.55±0.02 mg/cm2, 50 ppm时为0.59±0.01 mg/cm2。富铁磁铁矿氧化物逐渐覆盖在样品表面,其在样品表面的比例随重量的增加呈变化趋势,0 ppm时为44.3%,0.1 ppm时为37.8%,1 ppm时为67.7%,50 ppm时为87.6%。在富铁磁铁矿氧化物覆盖区域形成富铁外磁铁矿层和富cr内尖晶石层的双相氧化膜结构。氧化膜厚度的变化趋势与增重相似,0 ppm时为7.67 μm, 0.1 ppm时为5.80 μm, 1 ppm时为9.97 μm, 50 ppm时为11.23 μm。而在没有富铁磁铁矿氧化物的区域形成富cr尖晶石氧化膜。无论Cr6+离子浓度如何,氧化膜的厚度基本不变,约为2 μm,但氧化膜中Cr的浓度明显高于参比样品。这些结果表明,随着SCWR中Cr6+浓度的增加,腐蚀速率先降低后增加,因此在SCWR运行过程中应采取措施保持较低的Cr6+浓度。
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引用次数: 0
Source Localization of Accidental Radionuclide Release Using a Data Assimilation Method Based on Forward and Backward Dispersion Simulations 基于前向和后向扩散模拟的数据同化方法在事故核素释放源定位中的应用
Pub Date : 2022-08-08 DOI: 10.1115/icone29-91645
Yuhan Xu, Shengjiang Fang, Xinwen Dong, Shuhan Zhuang
Source localization of accidental radionuclide release is crucial to nuclear emergency and decision making, especially when no reliable information about possible release regions can be previously obtained. To rapidly and accurately determine the source location with a limited number of measurements, this paper proposes a two-step data assimilation method based on forward and backward dispersion simulations in the RIMPUFF model. In the first step, meteorological variables such as wind speed are reversed and the measurements are set as sources for several backward RIMPUFF runs. By identifying the overlap of backward plumes originating from different measurement sites, potential regions discretized into grids can be roughly determined. In the second step, the grids selected by the first step are set as sources for forward RIMPUFF runs with unit release rate and the source location will be refined by minimizing a correlation-based function of simulated and measured data. The method is verified by SCK-CEN 41Ar field experiment. Using gamma dose rate data from all measurement sites, source location is retrieved with errors of 22.36m and 30m respectively on the two days of the field experiment. Compared with the direct correlation-based method, the proposed method achieves satisfactory solutions in an obviously shorter time. In particular, there is no need for predetermining the source release rate throughout the process, indicating that the method can conveniently combine with other source term inversion approaches whose source location is viewed as a known quantity. Therefore, the presented two-step data assimilation method here is potentially a useful tool with high accuracy and efficiency for further integration in nuclear emergency response system.
意外放射性核素释放源定位对核应急和核决策至关重要,特别是在事先无法获得有关可能释放区域的可靠信息的情况下。为了在有限的测量次数下快速准确地确定源位置,本文提出了一种基于RIMPUFF模型中正反向色散模拟的两步数据同化方法。在第一步中,气象变量如风速被逆转,测量值被设置为几次反向RIMPUFF运行的来源。通过识别来自不同测点的反向羽流的重叠,可以大致确定离散到网格中的潜在区域。在第二步中,将第一步选择的网格设置为单位释放率的RIMPUFF正向运行的源,并通过最小化模拟数据和测量数据的基于相关性的函数来细化源位置。通过SCK-CEN 41Ar现场实验验证了该方法的有效性。利用所有测点的伽马剂量率数据,在野外实验的两天内分别以22.36m和30m的误差反演了源位置。与基于直接相关的方法相比,该方法在较短的时间内得到了满意的解。特别是在整个过程中不需要预先确定源释放率,这表明该方法可以方便地与其他源位置已知的源项反演方法相结合。因此,本文提出的两步数据同化方法具有较高的精度和效率,有望为核应急系统的进一步整合提供有用的工具。
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引用次数: 0
Radiation Shielding Towards Commonly Available Objects 对常用物体的辐射屏蔽
Pub Date : 2022-08-08 DOI: 10.1115/icone29-91722
Muhammad Amir Safwan Zamani Ahmad, Muhammad Arif Sazali, Azuhar Ripin
Radiation exposure is an essential measure of social welfare. Every day the public was exposed to radiation, whether they were aware of it or not. Public people can only receive no more than 1mSv of radiation in a year based on Basic Safety Radiation Protection Regulations 2010 under Atomic Energy Licensing. If it exceeds the value, it may risk people’s health and well-being. People are constantly exposed to radiation sources that exist naturally in everyday life. Without any action taken, the radioactive sources might penetrate people’s bodies. A shield is needed to avoid these unnecessary radiations. However, radiation shield are not comfortable to use daily. Thus, the main objective of this experiment is to observe the effectiveness of a commonly available object as a radiation shield. These objects can be found easily daily and used as a radiation shield. Gamma sources that are used in this experiment is 241Am and 133Ba. Solid-state detectors are used to measure the counts. The experiment shows positive feedback from glass, dark glass, brick, clay, and battery. They can shield gamma rays effectively. The main element of these objects is observed to see how the elements affected the objects’ ability to shield gamma. Carbon, oxygen, sulphur, hydrogen, and zinc can be used as the main elements to produce radiation shielding. The supervisor continuously monitored the execution and the safety during the experiment.
辐射暴露是衡量社会福利的基本标准。无论公众是否意识到,他们每天都暴露在辐射之下。根据《2010年原子能许可下的基本安全辐射防护条例》,公众每年接受的辐射量不得超过1mSv。如果超过这个值,可能会危及人们的健康和福祉。人们经常接触到日常生活中自然存在的辐射源。如果不采取任何措施,放射源可能会穿透人的身体。需要一个防护罩来避免这些不必要的辐射。然而,日常使用防辐射罩并不舒服。因此,本实验的主要目的是观察一个常用物体作为辐射屏蔽的有效性。这些物体可以很容易地在日常生活中找到,并用作辐射屏蔽。本实验使用的伽玛源为241Am和133Ba。固态探测器被用来测量计数。实验显示玻璃、深色玻璃、砖、粘土和电池的正反馈。它们可以有效地屏蔽伽马射线。观察这些物体的主要元素,看看这些元素如何影响物体屏蔽伽马的能力。碳、氧、硫、氢和锌可以作为产生辐射屏蔽的主要元素。在实验过程中,主管人员持续监控实验的执行和安全。
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引用次数: 0
Layout Optimization of Self-Powered Neutron Detector for HPR1000 HPR1000自供电中子探测器布局优化
Pub Date : 2022-08-08 DOI: 10.1115/icone29-91784
Yao Zhou, Liangzhi Cao, Changyou Zhao, Zhifeng Li, Yuxiang Zhu
Self-Powered Neutron Detector (SPND) has been widely applied for the on-line monitoring of the key core parameters, including the power distribution, power-peak factor and so on. For the SPND layout design, the vital parameters include the SPND amount and loading position in the radial direction and segment amount in the axial direction. Different SPND layout reflects different ability of power distribution reconstruction, which is directly related to the safety and economy of nuclear power plant. For HPR1000, the neutronics sensitivity of SPND layout design is analyzed based on a 3D on-line power distribution monitoring system NECP-ONION. Through the comparison and analysis of the reconstruction errors of power distribution, the design rationality of SPND is evaluated and the optimization design is recommended. For the recommended SPND layout design, the loading positions in the radial direction are arranged at intervals and segment amount in the axial direction is 15. The recommended SPND layout design shows stable performance in the whole life for HPR1000 reactor, and the RMS errors of the power distribution reconstruction has been in the range of [0.32%, 0.48%], meeting the safety limit and accuracy requirements of power distribution reconstruction. This work verifies the on-line monitoring ability of NECP-ONION system. Additionally, it provides a technical reference for the SPND experiment in HPR1000.
自供电中子探测器(SPND)已广泛应用于堆芯关键参数的在线监测,包括功率分布、功率峰值因子等。在SPND布置设计中,关键参数包括径向SPND数量和加载位置以及轴向分段数量。不同的SPND布局反映了不同的配电改造能力,这直接关系到核电站的安全性和经济性。以HPR1000为例,基于nnecp - onion三维在线配电监测系统,分析了SPND布置图设计的中子灵敏度。通过对功率分布重构误差的比较分析,评价了SPND设计的合理性,提出了优化设计建议。对于推荐的SPND布局设计,径向加载位置间隔布置,轴向段数为15。推荐的SPND布置图设计在HPR1000反应堆全寿命期内性能稳定,配电改造的均数误差在[0.32%,0.48%]范围内,满足配电改造的安全限值和精度要求。本工作验证了NECP-ONION系统的在线监测能力。为HPR1000上的SPND实验提供了技术参考。
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引用次数: 0
Energy Analysis and Parametric Study of Hydrogen and Electricity Co-Production System Coupled With a Very-High-Temperature Gas-Cooled Reactor 超高温气冷堆耦合氢电联产系统的能量分析与参数研究
Pub Date : 2022-08-08 DOI: 10.1115/icone29-91900
Hang Ni, Xinhe Qu, Gangyong Zhao, Ping Zhang, Wei Peng
Hydrogen is an important clean alternative energy resource for the future, and nuclear hydrogen production can efficiently produce carbon-free hydrogen on a large scale. In this study, a hydrogen and electricity co-production system coupling iodine-sulfur cycle with a very-high-temperature gas-cooled reactor is proposed. The helium on the secondary side of the intermediate heat exchanger provides high-grade heat for the sulfuric acid decomposition reactor and hydroiodic acid decomposition reactor, and the steam extracted from the power generation circuit provides low-grade heat for other hydrogen production components. A supercritical steam generator is used and a reheating section is designed to improve power generation efficiency. The energy analysis reveals that as the hydrogen production rate increases, the power generation efficiency decreases, whereas the overall hydrogen and electricity efficiency increases. The power generation efficiency and overall hydrogen and electricity efficiency of the system are 38.2 % and 45.5 % at a hydrogen production rate of 161.73 mol/s. The parametric study shows that the power generation efficiency and overall hydrogen and electricity efficiency of the system increase with an increase in the main steam temperature or main steam pressure, and decrease with an increase in the reheated steam pressure. Among the three parameters, the main steam temperature markedly affects the performance of the system, followed by the reheated steam pressure and main steam pressure.
氢是未来重要的清洁替代能源,核制氢可以高效、大规模地生产无碳氢。本研究提出了一种将碘硫循环与高温气冷堆耦合的氢电联产系统。中间换热器二次侧的氦气为硫酸分解反应器和氢碘酸分解反应器提供高品位热量,发电回路抽出的蒸汽为其他制氢部件提供低品位热量。采用超临界蒸汽发生器,设计再加热段,提高发电效率。能量分析表明,随着产氢率的提高,发电效率降低,而整体的氢效率和电效率提高。在产氢速率为161.73 mol/s的条件下,系统的发电效率和总氢电效率分别为38.2%和45.5%。参数化研究表明,系统的发电效率和总氢电效率随主蒸汽温度或主蒸汽压力的升高而升高,随再热蒸汽压力的升高而降低。三个参数中,主蒸汽温度对系统性能影响最大,其次是再热蒸汽压力和主蒸汽压力。
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引用次数: 0
Summary of Methods for Studying the Chemical States of Nuclides In Nuclear Energy Systems 核能系统中核素化学态研究方法综述
Pub Date : 2022-08-08 DOI: 10.1115/icone29-90873
Jingni Guo, Yu Wang, Ziling Zhou, F. Xie, J. Tong, Kerong Wang, Pengfei Li, Jing Jiang
The chemical states of nuclides affect their physical and chemical properties including thermal conductivity, melting point, adsorption and desorption behavior, diffusion process, and chemical reactivity. It is an important issue in nuclear energy systems and spent fuel reprocessing. In this review, we summarize the theoretical calculations and experimental measurements to determine the chemical states of nuclides in nuclear energy systems. Software such as FactSage, HSC Chemistry and The Geochemist’s Workbench are generally used to determine the macroscopic-scale thermodynamic parameters such as thermodynamically stable phases. Quantum chemistry calculation software such as Gaussian 03 is employed for microscopic first-principles calculations to elucidate chemical reaction channels, microstructures, bonding characteristics, and rate constants. The experimental methods to determine chemical states of nuclides include X-ray, spectroscopy and chemical extraction.
核素的化学状态影响其物理和化学性质,包括导热系数、熔点、吸附和解吸行为、扩散过程和化学反应性。它是核能系统和乏燃料后处理中的一个重要问题。本文综述了核能系统中核素化学态测定的理论计算和实验测量方法。FactSage、HSC Chemistry和The Geochemist’s Workbench等软件通常用于确定宏观尺度的热力学参数,如热力学稳定相。采用高斯03等量子化学计算软件进行微观第一性原理计算,阐明化学反应通道、微观结构、成键特性和速率常数。测定核素化学状态的实验方法包括x射线、光谱学和化学萃取。
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Volume 15: Student Paper Competition
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