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低维金属固体化合物的能带结构及化学键研究──(Ⅱ)键向量近似法及低维固体π能带的简化计算
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作者 李俊 黄达平 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 1994年第6期422-429,共8页
通过复平面向量的关系,提出了一种固体π能带的简化计算方法。这种方法不仅极大地简化了固体能带通常所需的复杂计算,而且轨道的成键性质十分明确。本方法用于链状固体PtS_2^(2-)及六方平面网状结构的π能带计算,其能带结构... 通过复平面向量的关系,提出了一种固体π能带的简化计算方法。这种方法不仅极大地简化了固体能带通常所需的复杂计算,而且轨道的成键性质十分明确。本方法用于链状固体PtS_2^(2-)及六方平面网状结构的π能带计算,其能带结构及定性结论与用紧束缚EHT法计算的结果完全一致。 展开更多
关键词 π能带计算 向量近似法 化学键 能带结构
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Optimization for ASP flooding based on adaptive rationalized Haar function approximation
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作者 Yulei Ge Shurong Li Xiaodong Zhang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2018年第8期1758-1765,共8页
This paper presents an adaptive rationalized Haar function approximation method to obtain the optimal injection strategy for alkali-surfactant-polymer(ASP) flooding. In this process, the non-uniform control vector par... This paper presents an adaptive rationalized Haar function approximation method to obtain the optimal injection strategy for alkali-surfactant-polymer(ASP) flooding. In this process, the non-uniform control vector parameterization is introduced to convert original problem into a multistage optimization problem, in which a new normalized time variable is adopted on the combination of the subinterval length. Then the rationalized Haar function approximation method, in which an auxiliary function is introduced to dispose path constraints, is used to transform the multistage problem into a nonlinear programming. Furthermore, an adaptive strategy proposed on the basis of errors is adopted to regulate the order of Haar function vectors. Finally, the nonlinear programming for ASP flooding is solved by sequential quadratic programming. To illustrate the performance of proposed method,the experimental comparison method and control vector parameterization(CVP) method are introduced to optimize the original problem directly. By contrastive analysis of results, the accuracy and efficiency of proposed method are confirmed. 展开更多
关键词 Alkali-surfactant-polymer flooding OPTIMIZATION Enhanced oil recovery Mathematical modeling Rationalized Haar function approximation Adaptive strategy
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