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含酰胺和尿嘧啶的氢键复合物的三体效应 被引量:3
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作者 李书实 姜笑楠 王长生 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2014年第11期2403-2409,共7页
采用包含BSSE校正的MP2/aug—cc—pVTZ方法对酰胺、二肽、尿嘧啶和水分子形成的氢键复合物的三体效应进行了研究,分析了三体作用能对体系总作用能的贡献.结果表明,在这些氢键复合物中,三体作用能占体系总作用能的10%~20%,三体... 采用包含BSSE校正的MP2/aug—cc—pVTZ方法对酰胺、二肽、尿嘧啶和水分子形成的氢键复合物的三体效应进行了研究,分析了三体作用能对体系总作用能的贡献.结果表明,在这些氢键复合物中,三体作用能占体系总作用能的10%~20%,三体作用属于近程作用,因此在分子模拟中至少应考虑近处的三体效应. 展开更多
关键词 三体效应 氢键复合物 作用能 酰胺 尿嘧啶 团簇 凝聚相
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高温高密度条件下氮分子三体关联效应与冲击压缩特性
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作者 孙燕云 刘福生 +1 位作者 张明建 徐利华 《高压物理学报》 EI CAS CSCD 北大核心 2009年第2期137-142,共6页
基于量子化学从头计算方法,计算了处于高密度条件下氮分子之间的两体排斥势和三体关联势,并采用球面平均近似求得了它们各自的高温平均势能值,得到了包括三体关联效应的等效两体势函数与分子间距的解析关系。借助分子流体微扰变分理论,... 基于量子化学从头计算方法,计算了处于高密度条件下氮分子之间的两体排斥势和三体关联势,并采用球面平均近似求得了它们各自的高温平均势能值,得到了包括三体关联效应的等效两体势函数与分子间距的解析关系。借助分子流体微扰变分理论,并考虑van derWaals长程作用,分别采用总平均两体势和总等效两体势,计算了液氮的冲击压缩曲线。计算结果表明,在不需要考虑分子离解的压缩范围内(1~35 GPa),三体关联效应的贡献使分子间总等效两体势函数比单独两个分子间总平均作用势函数明显软化,与实验Hugoniot数据结果一致。 展开更多
关键词 关联效应 液氮 HUGONIOT
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同位旋非对称核物质性质与扩展的BHF方法(Ⅱ)状态方程、对称能以及三体核力效应 被引量:3
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作者 左维 U.Lombardo +2 位作者 刘建业 李增花 李君清 《高能物理与核物理》 CSCD 北大核心 2002年第12期1238-1246,共9页
在同位旋相关的BHF理论框架内 ,研究了微观三体核力对非对称核物质状态方程和原子核对称能的影响 .结果表明 :即使引进了微观三体核力后 ,核物质结合能随同位旋非对称度的变化关系仍然能够在整个同位旋自由度范围内(0≤β≤ 1) 相当精... 在同位旋相关的BHF理论框架内 ,研究了微观三体核力对非对称核物质状态方程和原子核对称能的影响 .结果表明 :即使引进了微观三体核力后 ,核物质结合能随同位旋非对称度的变化关系仍然能够在整个同位旋自由度范围内(0≤β≤ 1) 相当精确地满足二次方规律 .在核物质饱和密度 ρ0 =0 .17fm- 3处 ,三体核力对于对称能Esym的影响很小 ,考虑三体核力后得到的对称能为 30 .71MeV ,与其经验值符合得很好 ;对于高密度核物质 ,由于三体核力效应 ,对称能明显增大 ,而且三体核力使对称能随密度的增大要比不考虑三体核力情况下的计算结果陡得多 .同时还给出了对称能的密度依赖关系的一个简单的参数化形式 . 展开更多
关键词 同位旋 BHF方法 状态方程 核力效应 微观核力 非对称核物质 对称能 原子核物理学 物理
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热核物质液气相变的临界温度和三体核力效应 被引量:1
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作者 左维 陆广成 +1 位作者 李增花 罗培燕 《高能物理与核物理》 EI CSCD 北大核心 2005年第11期1061-1066,共6页
通过引入微观三体核力,扩展了有限温度Brueckner-Hartree-Fock方法。利用这一扩展的理论模型,研究了热核物质的状态方程和液气相变现象并计算了临界温度,讨论了三体核力对液气相变临界点性质的影响并与Dirac-Brueckner-Hartree-Fock方... 通过引入微观三体核力,扩展了有限温度Brueckner-Hartree-Fock方法。利用这一扩展的理论模型,研究了热核物质的状态方程和液气相变现象并计算了临界温度,讨论了三体核力对液气相变临界点性质的影响并与Dirac-Brueckner-Hartree-Fock方法的理论预言进行了比较。结果表明:三体核力对热核物质状态方程提供一个随密度和温度增大而增强的排斥贡献,而且三体核力的排斥效应导致热核物质液气相变的临界温度明显降低。 展开更多
关键词 微观核力 有限温度BHF方法 核物质 液气相变 临界温度 核力效应 热核物质 HARTREE-FOCK 核物质状态方程 相变临界点
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核物质中的三体核力效应和相对论效应 被引量:8
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作者 左维 U.Lombardo 《高能物理与核物理》 CSCD 北大核心 2002年第11期1134-1141,共8页
在BHF理论框架内 ,利用两体现实核力和微观三体核力研究了核物质状态方程 ,仔细计算和分析了核介质中不同的基本微观过程导致的三体核力对核物质状态方程的贡献 ,与相对论DBHF方法的计算进行了比较 .结果表明 ,DBHF方法中包含的对核物... 在BHF理论框架内 ,利用两体现实核力和微观三体核力研究了核物质状态方程 ,仔细计算和分析了核介质中不同的基本微观过程导致的三体核力对核物质状态方程的贡献 ,与相对论DBHF方法的计算进行了比较 .结果表明 ,DBHF方法中包含的对核物质状态方程的主要相对论修正来自于核介质中伴随着自由核子 -反核子对虚激发中间过程对核子相互作用中标量σ介子交换过程介质修正效应所导致的三体核力 ,而来自于其他的基本微观过程的三体核力对核物质状态方程的贡献并不能完全相互抵消 。 展开更多
关键词 核物质 BHF方法 核力效应 相对论效应 状态方程 重离子碰撞 强相互作用
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三体核力重排项的同位旋效应 被引量:1
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作者 左维 徐忠锋 《物理学报》 SCIE EI CAS CSCD 北大核心 2007年第1期129-136,共8页
在同位旋相关的Brueckner理论框架内,研究了三体核力重排贡献对同位旋对称势及其动量相关性和密度依赖性的影响,特别是研究了三体核力重排效应对于非对称核物质中质子和中子有效质量同位旋劈裂的影响.结果表明:三体核力重排效应对质子... 在同位旋相关的Brueckner理论框架内,研究了三体核力重排贡献对同位旋对称势及其动量相关性和密度依赖性的影响,特别是研究了三体核力重排效应对于非对称核物质中质子和中子有效质量同位旋劈裂的影响.结果表明:三体核力重排效应对质子和中子单核子势均具有排斥性,而且其贡献随动量和密度增加而迅速增大.在低密度区域,三体核力重排贡献对同位旋对称势的影响相当小,然而随着密度的升高,三体核力重排效应的贡献显著增强.在高密度区域,三体核力重排效应使得同位旋对称势明显增大,而且当密度足够高时,三体核力重排贡献甚至导致对称势的动量相关性质发生改变.三体核力的重排效应对核子有效质量同位旋依赖性的影响是使高密度丰中子核物质中质子-中子有效质量同位旋劈裂的幅度显著减小. 展开更多
关键词 核力重排效应 Brueckner-Hartree—Fock方法 同位旋对称势 有效质量的同位旋劈裂
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中子星物质中的K介子凝聚与三体核力效应
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作者 左维 李昂 +1 位作者 陈继延 李增花 《高能物理与核物理》 EI CSCD 北大核心 2005年第7期632-638,共7页
利用BruecknerHartreeFock方法,计算了β稳定中子星物质的状态方程以及三体核力的影响,特别是研究了三体核力对中子星物质中K介子凝聚的影响.结果表明三体核力对β稳定中子星物质中出现K介子凝聚的临界密度以及中子星物质中各种粒子所... 利用BruecknerHartreeFock方法,计算了β稳定中子星物质的状态方程以及三体核力的影响,特别是研究了三体核力对中子星物质中K介子凝聚的影响.结果表明三体核力对β稳定中子星物质中出现K介子凝聚的临界密度以及中子星物质中各种粒子所占的比例均有重要影响.三体核力的主要作用是降低了中子星物质中出现K介子凝聚的临界密度并使K凝聚相中的核物质更加接近于对称核物质. 展开更多
关键词 中子星物质 K介子 核力效应 HARTREE-FOCK 临界密度 对称核物质 状态方程 凝聚相 粒子
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正庚烷在O_(2)/CO_(2)环境中的着火特性 被引量:1
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作者 丁乐康 刘永峰 +2 位作者 姚圣卓 刘海峰 宋金瓯 《科学技术与工程》 北大核心 2021年第28期12124-12129,共6页
为准确预测正庚烷(n-C_(7)H_(16))在O_(2)/CO_(2)环境中的着火延迟,提出了Chalmers 1(C1)化学动力学机理。该机理包含32个组分和96个反应,考虑了CO_(2)对正庚烷着火延迟的影响,计算了不同CO_(2)体积分数条件下的着火延迟时间。建立了定... 为准确预测正庚烷(n-C_(7)H_(16))在O_(2)/CO_(2)环境中的着火延迟,提出了Chalmers 1(C1)化学动力学机理。该机理包含32个组分和96个反应,考虑了CO_(2)对正庚烷着火延迟的影响,计算了不同CO_(2)体积分数条件下的着火延迟时间。建立了定容燃烧弹(constant volume combustion chamber,CVCC)可视化试验平台在5个工况下对机理进行了验证,对CO_(2)的热效应、第三体效应和各基元反应对着火的敏感性进行了分析。结果表明:该机理能够预测正庚烷在不同体积分数比的O_(2)/CO_(2)环境中的着火延迟时间,与试验数据相比,最大误差6.5%,最小误差1.4%。CO_(2)的第三体效应导致着火延迟在工况1(65%O_(2)/35%CO_(2))中缩短了6%,在工况5(30%O_(2)/70%CO_(2))中缩短了27.3%。 展开更多
关键词 O_(2)/CO_(2)环境 正庚烷 着火延迟 反应机理 三体效应
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水蒸气对合成气层流火焰传播特性的影响
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作者 尚融雪 李刚 张培红 《东北大学学报(自然科学版)》 EI CAS CSCD 北大核心 2017年第10期1496-1500,共5页
选用Davis-机理模拟研究初始温度400 K时,含有水蒸气的合成气/空气预混层流火焰传播特性.结合敏感性分析,从热力学效应、直接化学反应效应及化学三体反应效应方面详细分析水蒸气稀释作用.研究结果表明:当燃料中氢气的体积分数大于25%时... 选用Davis-机理模拟研究初始温度400 K时,含有水蒸气的合成气/空气预混层流火焰传播特性.结合敏感性分析,从热力学效应、直接化学反应效应及化学三体反应效应方面详细分析水蒸气稀释作用.研究结果表明:当燃料中氢气的体积分数大于25%时,层流火焰传播速度、绝热火焰温度及重要自由基摩尔分数均随稀释剂比例的增加显著降低;在水蒸气整体稀释作用中,热力学效应起支配作用;随氢气体积分数的增加,当混合物当量比较小时,直接化学反应效应影响从促进作用发展为抑制作用;当稀释剂较少时,化学三体反应效应影响存在显著的抑制—促进—抑制作用的变化过程. 展开更多
关键词 合成气 水蒸气 层流火焰传播速度 稀释作用 反应效应
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同位旋非对称核物质性质与扩展的BHF方法(Ⅴ)三体核力对质子和中子单粒子势的影响
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作者 左维 Lombardo U +1 位作者 刘建业 李君清 《高能物理与核物理》 CSCD 北大核心 2003年第7期585-589,共5页
在扩展的同位旋相关的Brueckner Hartree Fock理论框架内 ,研究了三体核力对同位旋非对称核物质中质子与中子的单粒子势及其同位旋依赖性的影响 .
关键词 同位旋 非对称核物质 性质 BHF方法 核力效应 单粒子势 质子 中子 重离子碰撞
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Genetic study on seed coat characteristics in multiploid watermelon 被引量:1
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作者 陈娟 《Agricultural Science & Technology》 CAS 2007年第2期13-20,共8页
[ Objective] This study is to provide basis for the genetic improvement of triploid watermelon cultivars from seed coat characteristiscs by analyzing its genetic properties. [ Method ] Genetic effects of seed coat cha... [ Objective] This study is to provide basis for the genetic improvement of triploid watermelon cultivars from seed coat characteristiscs by analyzing its genetic properties. [ Method ] Genetic effects of seed coat characteristics and their related characteristics in tdploid watermelon were analyzed by additive dominant genetic model based on 36 F1 hybrids which were crossed by six female parents of four ecotypes and six male parents of same ecotype according to North Carolina II crossing design. [ Result] The seed coat number characteristics was controlled by additive effects, dominant effects and error variance of genetic together. The additive effects of the length and width of abortive seed coat were significant, and the error variance was significant or highly significant. It was observed that there was a significant negative correlation of additive effects between the seed coat number and fringe soluble sugar. Also there was a significant negative correlation of dominant effects between lycopenes, dry matter and the seed coat number. However, there was a highly significant positive correlation in additive effects between the length and width of abortive seed coat. [ Conclusion ] The results provide guidance for genetic breeding of triploid watermelon cultivars. 展开更多
关键词 triploid watermelon seed coat characteristics genetic effect correlation analysis
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Three-body Effect on Equation of State of Spin-polarized Nuclear Matter
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作者 Zuo Wei 《近代物理研究所和兰州重离子加速器实验室年报:英文版》 2003年第1期4-4,共1页
The equation of state (EOS) of spin-polarized nuclear matter has been investigated within the spin-dependent; Brueckner-Hartree-Fock framework by adopting the realistic nucleon-nucleon interaction supplemented with a... The equation of state (EOS) of spin-polarized nuclear matter has been investigated within the spin-dependent; Brueckner-Hartree-Fock framework by adopting the realistic nucleon-nucleon interaction supplemented with a microscopic three-body force. The three-body force effects have been studied and stressed with a special attention. The calculated results are given in Fig.1. It is seen that; in the Brueckner-Hartree-Fock framework the predicted energy per particle of spin-polarized nuclear matter versus the neutron and proton spin-polarization parameters fulfills a quadratic law in the whole range of spin-polarization. The related physical quantities such as spin the Landau parameters Go in spin channel and G′0 in spin-isospin channel, have been also calculated. 展开更多
关键词 三体效应 平衡状态 旋转极化 核子物质 旋转轨道
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Equation of State of Spin-polarized Neutron Matter and Three-body Effect
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作者 Zuo Wei 《近代物理研究所和兰州重离子加速器实验室年报:英文版》 2003年第1期5-5,共1页
Within the spin-dependent Brueckner-Hartree-Fock (BHF) framework, the equation of state of the spinpolarized neutron matter has been investigated by adopting the realistic nucleon-nucleon interaction supplemented with... Within the spin-dependent Brueckner-Hartree-Fock (BHF) framework, the equation of state of the spinpolarized neutron matter has been investigated by adopting the realistic nucleon-nucleon interaction supplemented with a microscopic three-body force. The three-body force has been turn out to be crucial for reproducing the empirical saturation properties of nuclear matter in a non-relativistic microscopic approach[2] such as BHF. The related physical quantities such as spin-symmetry energy, magnetic susceptibility, have been extracted. The three-body force effects have been studied and discussed with a special attention. It is found that in the whole range of spin-polarization, the cnergy per particle of spin-polarized neutron matter fulfills a quadratic relation versus the spin-polarization parameter. The calculated spin-symmetry energies as a function of densityare shown in Fig.l, where the solid curve is obtained by using the AVis two-body force plus the three-body force and the dashed curve is the result by adopting the pure AVis two-body force. 展开更多
关键词 平衡状态 旋转极化 中子 三体效应 核子交互作用
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Three—Body Force Effects on EOS of Asymmetric Nuclear Matter and Proton Fraction in Neutron Star Matter
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作者 ZUOWei A.Lejeune +1 位作者 U.Lombardo J.F.Mathiot 《Communications in Theoretical Physics》 SCIE CAS CSCD 2003年第4期439-446,共8页
The three-body force effects on the equation of state and its iso-spin dependence of asymmetric nuclear matter and on the proton fraction in neutron star matter have been investigated within Brueckner-Hartree-Fock app... The three-body force effects on the equation of state and its iso-spin dependence of asymmetric nuclear matter and on the proton fraction in neutron star matter have been investigated within Brueckner-Hartree-Fock approach by using a microscopic three-body force. It is shown that, even in the presence of the three-body force, the empirical parabolic law of the energy per nucleon vs. isospin asymmetry is fulfilled in the whole asymmetry range and also up to high density. The three-body force provides a strong enhancement of symmetry energy at high density in agreement with relativistic approaches. It also shows that the three-body force leads to a much more rapid increasing of symmetry energy with density in relatively high density region and to a much lower threshold density for the direct URCA process to occur in a neutron star as compared to the predictions adopting only pure two-body force. 展开更多
关键词 three-body force asymmetric nuclear matter ISOSPIN
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1 - 2 Three-body Force Effect on Off-shell Mass Operator and Spectral Functions in Nuclear Matter
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作者 Zuo Wei Wang Pei Gan Shengxin Yin Peng 《IMP & HIRFL Annual Report》 2012年第1期4-5,共2页
关键词 核力效应 谱函数 核物质 量算 壳质 距离和 核系统 核子
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Properties of Protoneutron Star and Effect of Three-body Forces
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作者 Zuo Wei Li Ang 《近代物理研究所和兰州重离子加速器实验室年报:英文版》 2005年第1期5-6,共2页
We investigate the properties of protoneutron stars (PNS) within the Brueckner-Hartree-Fock framework by adopting the realistic two-body AV18 interaction supplemented with a microscopic three-body force (TBF) or a phe... We investigate the properties of protoneutron stars (PNS) within the Brueckner-Hartree-Fock framework by adopting the realistic two-body AV18 interaction supplemented with a microscopic three-body force (TBF) or a phenomenological TBF.The proton fraction inβ-stable PNS matter has been calculated. The neutrino-trapping and the TBF effects have been discussed and especially the interplay 展开更多
关键词 核力效应 性质 相互作用 TBF 现象学 分数 质子
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Neutron ^3PF2 Superfluidity in Neutron Stars and Three-body Force Effect
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作者 Zuo Wei Cui Changxi 《近代物理研究所和兰州重离子加速器实验室年报:英文版》 2007年第1期4-4,共1页
关键词 核力效应 中子星 物理现象 超流 中子数 质子
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Three-body Force Effects on Nuclear Pairing
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作者 ZuoWei U.Lombardo +1 位作者 H.J.Schulze ShenCaiwan 《近代物理研究所和兰州重离子加速器实验室年报:英文版》 2002年第1期3-3,共1页
In the present work, the influence of three-body force(TBF) on the 1S0 pairing in symmetric nuclear matter and pure neutron matter has been investigated. The energy gap is calculated within the standard BCS scheme. Th... In the present work, the influence of three-body force(TBF) on the 1S0 pairing in symmetric nuclear matter and pure neutron matter has been investigated. The energy gap is calculated within the standard BCS scheme. The AV18 force is adopted as the two-body realistic nucleon-nucleon interaction. The microscopic three-body force adopted in the present calculations is constructed from a meson-exchange current 展开更多
关键词 核力效应 能带 核物质 对关联 原子核物理学 BHF计算
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Screening-Dependent Study of Superconductivity in 3d-Transition Metals Binary Alloys Superconductors
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作者 Aditya M.Vora 《Communications in Theoretical Physics》 SCIE CAS CSCD 2009年第3期533-539,共7页
In the present article, we report the screening-dependent study of the superconducting state parameters (SSPs), viz. electron-phonon coupling strength A, Coulomb pseudopotential μ^*, transition temperature TC, iso... In the present article, we report the screening-dependent study of the superconducting state parameters (SSPs), viz. electron-phonon coupling strength A, Coulomb pseudopotential μ^*, transition temperature TC, isotope effect exponent a, and effective interaction strength No V of 3d-band transition metals binary alloys superconductors have been made extensively in the present work using a model potential formalism and employing the pseudo-alloy-atom (PAA) model for the first time. Five local field correction functions proposed by Hartree (H), Taylor (T), Ichimaru-Utsumi (IU), Farid et al. (F) and Sarkar et al. (S) are used in the present investigation to study the screening influence on the aforesaid properties. The present results of the SSPs obtained from H-screening are found in qualitative agreement with the available experimental data wherever exist. 展开更多
关键词 PSEUDOPOTENTIAL superconducting state parameters (SSPs) 3d-band transition metals binary alloys superconductors
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Estimation of Annual Energy Output from BCM Tidal Barrage and the Corresponding Marine Environmental Impact
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作者 YU Huaming WANG Lu +4 位作者 KUANG Liang YU Haiqing SUN Yuchen QU Yuhuan WU Xin 《Journal of Ocean University of China》 SCIE CAS 2016年第2期209-218,共10页
Based on the finite-volume coastal ocean model (FVCOM), a three-dimensional numerical model FVCOM was built to simulate the ocean dynamics in pre-dam and post-dam conditions in Bachimen (BCM). The domain decomposi... Based on the finite-volume coastal ocean model (FVCOM), a three-dimensional numerical model FVCOM was built to simulate the ocean dynamics in pre-dam and post-dam conditions in Bachimen (BCM). The domain decomposition method, which is effective in describing the conservation of volume and non-conservation of mechanical energy in the utilization of tidal energy, was employed to estimate the theoretical tidal energy resources and developable energy resources, and to analyze the hydrodynamic effect of the tidal power station. This innovative approach has the advantage of linking physical oceanography with engineering problems. The results indicate that the theoretical annual tidal energy resources is about 2x 108 kwh under the influence of tidal power station; Optimized power installation is confirmed according to power generation curve from numerical analysis; the developable resources is about 38.2% of theoretical tidal energy resources with the employment of one-way electricity generation. The electricity generation time and power are 3479 hours and 2.55~104KW, respectively. The power station has no effect on the tide pattern which is semi-diumal tide in both two conditions, but the amplitudes of main constituents apparently decrease in the area near the dam, with the ME decreasing the most, about 62.92 cm. The tidal prism shrinks to 2.28×107 m3, but can still meet the flow requirement for tidal power generation. The existence of station increases the flow rate along the waterway and enhances the residual current. There are two opposite vortexes formed on the east side beside the dam of the station, which leads to pollutants gathering. 展开更多
关键词 tidal energy resources tidal developable resources numerical simulation marine environmental effects
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