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利用Stacking模型融合法识别高温、高压储层流体 被引量:6
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作者 秦敏 胡向阳 +2 位作者 梁玉楠 袁伟 杨冬 《石油地球物理勘探》 EI CSCD 北大核心 2021年第2期364-371,I0012,I0013,共10页
东方X气田不同流体性质储层的测井响应差异不明显,尤其难以确定不同流体的电阻率下限;利用孔隙度测井曲线识别流体易受物性因素干扰,使不同流体性质的样本数据点存在重叠区域。因此,提出利用Stacking模型融合方法建模,集成了流体识别效... 东方X气田不同流体性质储层的测井响应差异不明显,尤其难以确定不同流体的电阻率下限;利用孔隙度测井曲线识别流体易受物性因素干扰,使不同流体性质的样本数据点存在重叠区域。因此,提出利用Stacking模型融合方法建模,集成了流体识别效果较好的机器学习算法(决策树、支持向量机、随机森林和极端梯度提升),并利用模型融合方法识别高温、高压储层流体,通过10折交叉验证法对各个算法进行迭代优化,使模型达到最优。相比于单一机器学习算法,Stacking模型融合算法能够考虑不同算法的数据观测与训练原理差异,充分发挥各个模型优势。生产测试结论表明,与表现最优的单一模型极端梯度提升树相比,Stacking模型将预测准确率从87.08%提升到92%,具有更强的学习能力,更适用于高温、高压储层流体识别,为测井解释建模提供了新思路。 展开更多
关键词 高温、高压储层 流体识别 机器学习 Stacking模型融合
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高温高压耦合条件下油基钻井液的流变特性规律及其数学模型 被引量:5
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作者 谢春林 杨丽丽 +4 位作者 蒋官澄 敖天 曹峰 贺垠博 聂强勇 《钻井液与完井液》 CAS 北大核心 2021年第5期568-575,共8页
为了探究高温、高压耦合条件下温度、压力对油基钻井液流变性能的影响规律,利用超高密度高温高压钻井液流变仪Fann iX77分别测试了各个高温、高压耦合条件下密度为1.4、1.8、2.2、2.4 g/cm^(3)的抗高温油基钻井液体系的流变特性。结果显... 为了探究高温、高压耦合条件下温度、压力对油基钻井液流变性能的影响规律,利用超高密度高温高压钻井液流变仪Fann iX77分别测试了各个高温、高压耦合条件下密度为1.4、1.8、2.2、2.4 g/cm^(3)的抗高温油基钻井液体系的流变特性。结果显示,油基钻井液表观黏度和塑性黏度随温度的升高而逐渐降低,随压力的增大而逐渐增大;动切力随温度的升高表现出先增高后降低的趋势;当温度超过一定值时(160℃左右),高温作用对各个高密度油基钻井液流变性的影响都将大大减弱。将所测得的各个高温、高压耦合节点条件下的流变参数进一步分析后得到油基钻井液的温度、压力二元数学模型,误差分析结果显示,该模型对各密度体系的实验测量数据均具有良好的拟合性,可决系数R均大于0.96,因此该数学模型能够较为精确地预测出各个温度、压力耦合条件下油基钻井液的流变性能。 展开更多
关键词 油基钻井液 流变性 高温、高压耦合 数学模型
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高温高压酸性气田空冷器设置优化 被引量:3
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作者 秦璇 宋代诗雨 刘永茜 《天然气与石油》 2014年第1期7-10,共4页
冷却系统是天然气集输工艺系统的一个重要组成部分。尤其是对于高温、高压酸性气田的内部集输工艺,要求合理优化空冷器的工艺设置,减少介质对管道和设备的腐蚀,降低投资,满足介质的输送条件和工艺要求。根据某气田的集输工艺方案,从空... 冷却系统是天然气集输工艺系统的一个重要组成部分。尤其是对于高温、高压酸性气田的内部集输工艺,要求合理优化空冷器的工艺设置,减少介质对管道和设备的腐蚀,降低投资,满足介质的输送条件和工艺要求。根据某气田的集输工艺方案,从空冷器的设置目的、设置位置出发,综合考虑集输和处理工艺、管道、设备材质等因素,对空冷器的设置方案进行优化选取。为类似气田集气工艺提出了新的研究思路和发展方向,对优选国内外异常高温气田集输工艺具有现实指导意义。 展开更多
关键词 空冷器 高温、高压酸性气田 优化 气田集输
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低流阻智能气动大口径止回阀研制及应用
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作者 王庆电 《中国新技术新产品》 2024年第16期I0001-I0003,F0003,共4页
本文全面探讨了智能气动大口径止回阀在特殊工况下的应用,深入分析了其设计理念、材料选择、工艺创新、智能化改造及优化,研究止回阀在高温、低温、高压以及腐蚀性介质等极端环境下的应用,凸显其在保障工业系统安全和提高效率方面的重... 本文全面探讨了智能气动大口径止回阀在特殊工况下的应用,深入分析了其设计理念、材料选择、工艺创新、智能化改造及优化,研究止回阀在高温、低温、高压以及腐蚀性介质等极端环境下的应用,凸显其在保障工业系统安全和提高效率方面的重要性。本文通过三高阀门集团的实际案例分析,展示了智能气动大口径止回阀在实际工业应用中的优越性能和可靠性。进一步讨论了面临的挑战与未来的发展趋势,并提出了具体的发展策略和建议,强调了技术创新和市场适应性对行业领先地位的重要性。 展开更多
关键词 大口径止回阀 腐蚀性介质 高温、低温、高压 智能化改造
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深层气井多层压裂用耐气浸和耐高温及高压胶筒的研制 被引量:1
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作者 许永权 徐德奎 +2 位作者 杨志鹏 吴恩成 马文海 《采油工程》 2015年第2期1-4,79,共5页
为了解决深层气井压裂施工时压裂封隔器胶筒严重膨胀阻隔油套环空的问题,研制了耐气浸和耐高温、高压胶筒。通过分析胶筒密封承压性能的影响因素,优选橡胶,创新配方体系,优化硫化工艺等措施完成了耐气浸和耐高温、高压胶筒的研制,通过... 为了解决深层气井压裂施工时压裂封隔器胶筒严重膨胀阻隔油套环空的问题,研制了耐气浸和耐高温、高压胶筒。通过分析胶筒密封承压性能的影响因素,优选橡胶,创新配方体系,优化硫化工艺等措施完成了耐气浸和耐高温、高压胶筒的研制,通过了室内耐温、承压性能检测。截至2014年12月底,采用耐气浸和耐高温、高压胶筒共压裂施工2口井10层段,工艺成功率为100%,取得了显著的效果,实现了深层气井多层压裂的重要突破。研究的胶筒能够达到耐气浸和耐高温、高压要求,具有显著的社会和经济效益。 展开更多
关键词 多层压裂 封隔器 胶筒 耐气浸 高温、高压 密封
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新型陶瓷筛管在克深气藏出砂气井中的适用性分析 被引量:3
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作者 蒋贝贝 卓亦然 +3 位作者 刘洪涛 张伟 罗冰 罗军 《石油钻采工艺》 CAS 北大核心 2019年第1期48-53,共6页
克深气藏储层埋藏深、高温、高压、高含CO2腐蚀气体,气井井下高产和高冲蚀,在气井出砂后使用常规金属筛管难以满足其防砂需求。通过对国外相似出砂油气井防砂案例分析,优选出新型陶瓷筛管并针对克深气藏气井井下CO2腐蚀、酸液腐蚀、出... 克深气藏储层埋藏深、高温、高压、高含CO2腐蚀气体,气井井下高产和高冲蚀,在气井出砂后使用常规金属筛管难以满足其防砂需求。通过对国外相似出砂油气井防砂案例分析,优选出新型陶瓷筛管并针对克深气藏气井井下CO2腐蚀、酸液腐蚀、出砂冲蚀进行了适用性及下入可行性分析,结果表明:新型陶瓷筛管能够满足克深区块高温、高含CO2、强酸腐蚀环境及高速携砂流体冲蚀下的防砂要求;现有陶瓷筛缝尺寸能够满足克深气藏砂岩储层挡砂精度要求;陶瓷筛管整体结构简单,下入后完井表皮因数低,能满足克深区块对于增产改造的要求;陶瓷筛管的机械强度能够承受克深井下围压,且具有良好的抗曲性能,可满足超深气井的下入可行性要求。研究认为,该新型陶瓷筛管在抗高冲蚀、抗高温、抗腐蚀和低完井表皮因数方面具有优势,其在克深气藏防砂完井中应用前景广阔。 展开更多
关键词 克深气藏 超深、高温、高压 CO2腐蚀 高冲蚀 新型陶瓷筛管 防砂完井 适用性分析
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Test of the Relative Permeability Curve of a Gas and Oil Condensate System and its Effect on the Recovery of Oil and Gas 被引量:5
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作者 郭平 李海平 +2 位作者 宋文杰 江同文 王小强 《Petroleum Science》 SCIE CAS CSCD 2004年第4期36-41,65,共7页
The relative permeability curve has been measured with simulation oil (refined oil) and gas (nitrogen or air) at room temperature and a lowpressure, both of which are very important parameters for depicting the flow ... The relative permeability curve has been measured with simulation oil (refined oil) and gas (nitrogen or air) at room temperature and a lowpressure, both of which are very important parameters for depicting the flow of fluid through porous media in a hydrocarbon reservoir. This basic measurement is often applied in exploitation evaluation, but the underground conditions with high temperature and pressure, and the phase equilibrium of oil and gas, are not taken into consideration when the relative permeability curve is tested. There is an important theoretical and practical sense in testing the diphase relative permeability curve of the equilibrium of oil and gas under the conditions of high temperature and pressure. The test method for the relative permeability curve is proposed in this paper. The relative permeability of the equilibrium of oil and gas and the standard one are tested in two fluids, and the differences between these two methods are stated. The research results can be applied to the simulation and prediction of CVD in long cores and then the phenomenon can better explain that the recovery of condensate gas rich in condensate oil is higher than that of CVD test in PVT. Meanwhile, the research shows that the relative permeability curve of equilibrium oil and gas is sensitive to the rate of exploitation, and the viewpoint proves that an improved gas recovery rate can properly increase the recovery of condensate oil. 展开更多
关键词 Equilibrium condensate oil and gas condensate gas relative permeability curve long cores condensate oil recovery
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探析湿法冶炼中耐酸砖的化学膨胀 被引量:1
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作者 佟立军 《中国有色冶金》 CAS 2020年第4期61-65,共5页
湿法冶炼项目中,耐酸砖作为性价比较高的防腐蚀材料被广泛用于高温、高压设备的衬里结构。本文以某工程所用的耐酸砖为实验材料,对时间、操作环境、材料成分及制造工艺等影响其化学膨胀的因素进行了分析,并对实际工况下与试验条件下的... 湿法冶炼项目中,耐酸砖作为性价比较高的防腐蚀材料被广泛用于高温、高压设备的衬里结构。本文以某工程所用的耐酸砖为实验材料,对时间、操作环境、材料成分及制造工艺等影响其化学膨胀的因素进行了分析,并对实际工况下与试验条件下的化学膨胀差异进行了分析,探讨化学膨胀对衬里系统稳定性、设备操作过程的影响。实际设计工作中,建议采用实验数据和有限元分析相结合进行辅助设计,以设计出可靠的耐酸砖衬里系统。 展开更多
关键词 耐酸砖 化学膨胀 高温、高压衬里设备 有限元分析
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CALCULATIONS OF THE PHASE EQUILIBRIA AND CRITICAL CURVES WITH THE EQUATION OF STATE FOR BINARY MIXTURES
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作者 田宜灵 乔瑞平 +1 位作者 宋瑛 任晓文 《Transactions of Tianjin University》 EI CAS 1998年第1期62-67,共6页
A rational equation of state of the perturbation type with a repulsion and attraction term has been applied to reproduce critical curves of six different binary systems up to high temperatures and pressures. A square ... A rational equation of state of the perturbation type with a repulsion and attraction term has been applied to reproduce critical curves of six different binary systems up to high temperatures and pressures. A square well potential for intermolecular interaction is used. With pairwise combination rules for these potentials three adjustable parameters are needed. The experimental critical point and phase equilibrium data are compared with the values predicted using the equation of state. Good agreement is obtained for the analysis of the critical pressure composition data and molar volumes. 展开更多
关键词 equation of state binary system critical curve phase equilibrium high temperature and high pressure
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高炉送风装置的焊接工艺
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作者 贾雨锟 安海江 《科技与企业》 2012年第11期319-319,共1页
综述了钢结构在焊接产生应力破坏的一般规律,提出了在制作高炉用焊接结构中所应该遵循的一般条件,并对该类结构的工艺发展方向进行了一定的探讨。在生产实践中,对安全性要求很高的焊接结构和焊接工艺的设计安排充满了丰富的特殊性,因此... 综述了钢结构在焊接产生应力破坏的一般规律,提出了在制作高炉用焊接结构中所应该遵循的一般条件,并对该类结构的工艺发展方向进行了一定的探讨。在生产实践中,对安全性要求很高的焊接结构和焊接工艺的设计安排充满了丰富的特殊性,因此,具体问题须具体对待。 展开更多
关键词 高温、高压 热变形 焊接结构 使用安全性 工艺经济性
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顺北5-5H井120.65mm小井眼井身轨迹控制关键技术探讨
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作者 刘华亮 李玉祥 《中文科技期刊数据库(文摘版)工程技术》 2022年第3期200-202,共3页
顺北5-5H井是部署在顺北1区5号主干断裂带南部的一口评价水平井,因四开钻遇裂缝性地层发生频繁漏失,且堵漏难度大,将井身结构经调整为五级结构水平井,五开井眼尺寸为120.65mm。在精细研究地质和钻井设计,优化施工方案,优选钻具组合、钻... 顺北5-5H井是部署在顺北1区5号主干断裂带南部的一口评价水平井,因四开钻遇裂缝性地层发生频繁漏失,且堵漏难度大,将井身结构经调整为五级结构水平井,五开井眼尺寸为120.65mm。在精细研究地质和钻井设计,优化施工方案,优选钻具组合、钻进参数以及抗高温高压仪器的基础上,根据该井“三高”的钻探特点,钻穿多个断层的难点,创新思路,有针对性的制定轨迹控制方案,不断优化井眼轨迹,钻进至井深8520.00m顺利完钻。该井的钻探实践为超深井小井眼水平井优化钻具组合,轨迹控制技术以及仪器的使用,探索积累了宝贵的经验。 展开更多
关键词 顺北5-5H 小井眼 轨迹控制 高温、高压 随钻仪器
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Study of a high-temperature and high-pressure FBG sensor with Al_2O_3 thin-wall tube substrate 被引量:5
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作者 ZHOU Hong QIAO Xue-guang WANG Hong-liang FENG De-quan WANG Wei 《Optoelectronics Letters》 EI 2008年第4期260-263,共4页
A fiber Bragg grating(FBG) high-temperature and high pressure sensor has been designed and fabricated by using the Al2O3 thin-wall tube as a substrate.The test results show that the sensor can withstand a pressure ran... A fiber Bragg grating(FBG) high-temperature and high pressure sensor has been designed and fabricated by using the Al2O3 thin-wall tube as a substrate.The test results show that the sensor can withstand a pressure range of 0-45 MPa and a temperature range of -10-300 ℃,and has a pressure sensitivity of 0.0426 nm/MPa and a temperature sensitivity of 0.0112 nm / 展开更多
关键词 光纤布拉格光栅传感器 高温 高压 三氧化二铝薄壁管 光学传感器
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Global lateral buckling analysis of idealized subsea pipelines 被引量:4
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作者 刘润 刘文彬 +1 位作者 吴新利 闫澍旺 《Journal of Central South University》 SCIE EI CAS 2014年第1期416-427,共12页
In order to avoid the curing effects of paraffin on the transport process and reduce the transport difficulty,usually high temperature and high pressure are used in the transportation of oil and gas.The differences of... In order to avoid the curing effects of paraffin on the transport process and reduce the transport difficulty,usually high temperature and high pressure are used in the transportation of oil and gas.The differences of temperature and pressure cause additional stress along the pipeline,due to the constraint of the foundation soil,the additional stress can not release freely,when the additional stress is large enough to motivate the submarine pipelines buckle.In this work,the energy method is introduced to deduce the analytical solution which is suitable for the global buckling modes of idealized subsea pipeline and analyze the relationship between the critical buckling temperature,buckling length and amplitude under different high-order global lateral buckling modes.To obtain a consistent formulation of the problem,the principles of virtual displacements and the variation calculus for variable matching points are applied.The finite element method based on elasto-plastic theory is used to simulate the lateral global buckling of the pipelines under high temperature and pressure.The factors influencing the lateral buckling of pipelines are further studied.Based upon some actual engineering projects,the finite element results are compared with the analytical ones,and then the influence of thermal stress,the section rigidity of pipeline,the soil properties and the trigging force to the high order lateral buckling are discussed.The method of applying the small trigging force on pipeline is reliable in global buckling numerical analysis.In practice,increasing the section rigidity of a pipeline is an effective measure to improve the ability to resist the global buckling. 展开更多
关键词 PIPELINE high order lateral buckling analytical solution finite element analysis influence factors
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Effect of carbon on high temperature compressive and creep properties of β-stabilized TiA l alloy 被引量:6
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作者 Can-xu ZHOU Bin LIU +3 位作者 Yong LIU Cong-zhang QIU Hui-zhong LI Yue-hui HE 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2017年第11期2400-2405,共6页
Carbon is an important alloying element in improving high temperature mechanical properties of various metallic materials.The effects of carbon on high temperature mechanical properties of aβ-stabilized Ti?45Al?3Fe?2... Carbon is an important alloying element in improving high temperature mechanical properties of various metallic materials.The effects of carbon on high temperature mechanical properties of aβ-stabilized Ti?45Al?3Fe?2Mo(molar fraction,%)alloy were studied through compressive and creep tests.The results show that the carbon addition(0.5%,molar fraction)obviously enhances the high temperature compressive strength and creep resistance of theβ-stabilized Ti?45Al?3Fe?2Mo alloy.A lot of nano-scaled Ti3AlC carbides precipitate in theβ-stabilized alloy and these carbides pin the dislocations,and greatly increase the high temperature properties.At the same time,the carbon addition decreases the amount of?phase,refines the lamellar spacing,and causes solution strengthening,which also contribute to the improvement of the high temperature properties. 展开更多
关键词 TiAl alloy CARBON precipitation high temperature compression high temperature creep
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Gas-Liquid Mass Transfer in a Slurry Bubble Column Reactor under High Temperature and High Pressure 被引量:6
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作者 杨卫国 王金福 金涌 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2001年第3期253-257,共5页
The gas-liquid mass transfer of H2 and CO in a high temperature and high-pressure three-phase slurry bubble column reactor is studied. The gas-liquid volumetric mass transfer coefficients kLa are obtained by measuring... The gas-liquid mass transfer of H2 and CO in a high temperature and high-pressure three-phase slurry bubble column reactor is studied. The gas-liquid volumetric mass transfer coefficients kLa are obtained by measuring the dissolution rate of H2 and CO. The influences of the main operation conditions, such as temperature, pressure, superficial gas velocity and solid concentration, are studied systematically. Two empirical correlations are proposed to predict kLa values for H2 and CO in liquid paraffin/solid particles slurry bubble column reactors. 展开更多
关键词 gas-liquid mass transfer high temperature high pressure slurry bubble column
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Experiments of Brittle-Plastic Transition and Instability Modes of Juyongguan Granite at Different Temperatures and Pressures 被引量:3
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作者 Zhou Yongsheng, Jiang Haikun and He ChangrongInstitute of Geology, Open Tectonophysics Laboratory, CSB, Beijing 100029, China 《Earthquake Research in China》 2003年第2期169-182,共14页
Three groups of experiments on brittle-plastic transition and instability modes of granite were performed in a triaxial vessel with solid pressure medium at high temperature and high pressure. The results of experimen... Three groups of experiments on brittle-plastic transition and instability modes of granite were performed in a triaxial vessel with solid pressure medium at high temperature and high pressure. The results of experiments show that brittle faulting is the major failure mode at temperature <300℃, but crystal-plastic deformation is dominate at temperature >800℃, and there is a transition with increasing temperature from semi-brittle faulting to cataclastic flow and semi-brittle flow at temperatures of 300~800℃. So, temperature is the most influential factor in brittle-plastic transition of granite and confining pressure is the second factor. The results also show that progressive failure of granite occurs at lower pressure or high temperature where there is crystal plasticity, and sudden instability occurs at room temperature and high pressure (>300MPa) or high temperature and great pressure(550℃600MPa ~650℃700MPa), and a broad regime of quasi-sudden instability exists between the T-P condition of progressive failure and sudden instability. So, instability modes of granite depend simultaneously on the pressure and temperature. 展开更多
关键词 Deformation and failure Instability modes Brittle-plastic transition High temperature and great pressure GRANITE
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Optimization Analysis of High Temperature Heat Pump Coupling to Desiccant Wheel Air Conditioning System 被引量:1
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作者 盛颖 张于峰 +2 位作者 房磊 聂金哲 马丽筠 《Transactions of Tianjin University》 EI CAS 2014年第3期182-188,共7页
The high temperature heat pump and desiccant wheel(HTHP&DW) system can make full use of heat released from the condenser of heat pump for DW regeneration without additional heat. In this study, DW operation in the... The high temperature heat pump and desiccant wheel(HTHP&DW) system can make full use of heat released from the condenser of heat pump for DW regeneration without additional heat. In this study, DW operation in the HTHP&DW system was investigated experimentally, and the optimization analysis of HTHP&DW system was carried out. The performance of DW had influence on the dehumidification(evaluated by dehumidification and regeneration effectiveness) and cooling load(evaluated by thermal and adiabatic effectiveness). The results show that the enthalpy increase occurred in all the experiments. Compared to the isosteric heat, heat accumulation in the desiccant and matrix material and heat leakage from regeneration side to process side have greater influence on the adiabatic effectiveness. Higher regeneration temperature leads to lower adiabatic effectiveness that increases more cooling load of the system. When the regeneration temperature is 63℃, the maximal dehumidification effectiveness is 35.4% and the satisfied adiabatic effectiveness is 88%, which contributes to the optimal balance between dehumidification and cooling. 展开更多
关键词 desiccant wheel DEHUMIDIFICATION adiabatic effectiveness performance optimization
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Ab initio Predictions of Structural and Thermodynamic Properties of Zr2AIC Under High Pressure and High Temperature 被引量:1
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作者 Fen Luo Zhi-cheng Guo +2 位作者 Xiu-lu Zhang Chang-ying Yuan Ling-cang Cai 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2015年第3期263-268,I0001,共7页
The structural and thermodynamic properties of Zr2A1C at high pressure and high temper- ature are investigated by first principles density functional theory method. The calculated lattice parameters of Zr2A1C are in g... The structural and thermodynamic properties of Zr2A1C at high pressure and high temper- ature are investigated by first principles density functional theory method. The calculated lattice parameters of Zr2A1C are in good agreement with the available theoretical data. The pressure dependences of the elastic constants, bulk modulus, shear modulus, Young's mod- ulus, and Vickers hardness of Zr2A1C are successfully obtained. The elastic anisotropy is examined through the computation of the direction dependence of Young's modulus. By using the quasiharmonic Debye model, the thermodynamic properties including the Debye temperature, heat capacity, volume thermal expansion coefficient, and Griineisen parameter at high pressure and temperature are predicted for the first time. 展开更多
关键词 Elastic property Thermodynamic property Density functional theory
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A General Thermal Equilibrium Discharge Flow Model 被引量:3
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作者 Minfu Zhao Dongxu Zhang Yufeng Lv 《Journal of Energy and Power Engineering》 2016年第7期392-399,共8页
Based on isentropic flow and thermal equilibrium assumptions, a model was derived to calculate discharge flow rate, which unified the rules of room temperature water discharge, high temperature and high pressure water... Based on isentropic flow and thermal equilibrium assumptions, a model was derived to calculate discharge flow rate, which unified the rules of room temperature water discharge, high temperature and high pressure water discharge, two-phase critical flow, saturated steam and superheated steam critical flow, and gave a method to calculate critical condition. Because of the influence of friction, the entropy is increased in the actual discharge process, and the discharge flow rate in thermal equilibrium condition can be obtained by the original model multiplied by an appropriate correction coefficient. The model calculated results agreed well with the experiment data of long nozzle critical flow. 展开更多
关键词 Thermal equilibrium critical flow discharge flow rate.
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First-Principle Calculations for Thermodynamic Properties of LiBC Under High Temperature and High Pressure
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作者 LIU Zhong-Li CHENG Yan TAN Ni-Na GOU Qing-Quan 《Communications in Theoretical Physics》 SCIE CAS CSCD 2006年第3X期573-576,共4页
The thermodynamic properties of LiBC are investigated by using the full-potential linearlzed muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT) and using the quasi-harmonic Deb... The thermodynamic properties of LiBC are investigated by using the full-potential linearlzed muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT) and using the quasi-harmonic Debye model. The dependencies of the normalized lattice parameters a/a0 and c/c0, the ratio (c/a)/2, the normalized primitive volume V/V0 on pressure and temperature are successfully obtained. It is found that the interlayer covalent interactions (Li-B bonds or Li-C bonds) are more sensitive to temperature and pressure than intralayer ones (B-C bonds), as gives rise to the extreme lattice anisotropy in the bulk hop LiBC. 展开更多
关键词 thermal expansion heat capacity COMPRESSIBILITY LiBC full-potential linearized muffin-tin orbital
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