碳中和背景下配电网差异化节能降耗潜力评估分

为了提高配电网差异化节能降耗效果，解决现有潜力评估方法存在的应用性能差的问题，提出碳中和背景下配电网差异化节能降耗潜力优化评估方法。根据配电网的空间结构，构建相应的等值电路模型。在该模型下，从设备损耗和运行附加损耗2个方面计算配电网的损耗量。根据损耗量计算结果，确定配电网差异化碳中和节能降耗方式。从静态和动态2个角度设置潜力评估指标，通过指标数据处理、指标权重求解等步骤，得出配电网差异化节能降耗潜力的综合量化评估结果。将设计潜力评估方法应用到配电网的差异化节能降耗改造工作中，能够有效降低配电网的实际线损量、降低区域损耗费用，并具有较高的应用价值。     

子集模拟中马尔可夫链蒙特卡洛抽样算法比较

文章着重研究子集模拟中马尔可夫链蒙特卡洛(MCMC)抽样算法的抽样效率与计算精度。首先，阐述可靠度子集模拟的基本原理与中间状态样本生成的各种MCMC抽样算法，在稳态马尔可夫链构造基础上提出延迟拒绝MMH(Modified Metropolis Hasting)算法，通过在MMH算法上增加备选样本的延迟拒绝步提高MMH算法的抽样效率；阐述基于随机游走与基于扩散方程MCMC方法中建议分布的差异，进一步对备选样本接受率为1的preconditioned Crank-Nicolson(pCN)算法和条件抽样(Conditional sampling, CS)算法开展研究，证明两种算法的等价性；推导有效样本量的计算方法，提出采用有效样本量与总样本量的比值定义MCMC方法的抽样效率。通过复杂目标分布的样本生成研究不同MCMC抽样算法建议分布及其参数对备选样本接受率与抽样效率的影响，最后通过计算实例研究子集模拟过程采用不同MCMC抽样算法得到失效概率的相对误差及其变异性，揭示不同MCMC抽样算法对失效概率计算精度的影响。研究表明：不同MCMC抽样算法生成备选样本的接受率及其自相关性受建议分布及其参数影响较大，对于复杂的目标分布，pCN算法和CS算法的抽样效率较高，延迟拒绝MMH算法次之；采用CS算法和延迟拒绝MMH算法进行子集模拟得到的失效概率精度较高且变异性较低；增加子集模拟中间状态样本量可以提高失效概率计算精度并降低其变异性。     

Concentration fluctuation caused by reaction-diffusion coupling near catalytic active sites

The coupling of reaction and diffusion between neighboring active sites in the catalyst pore leads to the spatiotemporal fluctuation in component concentration, which is very important to catalyst performance and hence its optimal design. Molecular dynamics simulation with hard-sphere and pseudo-particle modeling has previously revealed the non-stochastic concentration fluctuation of the reactant/product near isolated active site due to such coupling, using a simple model reaction of A → B in 2D pores. The topic is further developed in this work by studying the concentration fluctuation due to such coupling between neighboring active sites in 3D pores. Two 3D pore models containing an isolated active site and two adjacent active sites were constructed, respectively. For the isolated site, the concentration fluctuation intensifies for larger pores, but the product yield decreases, and for a given pore size, the product yield reaches a peak at a certain reactant concentration. For two neighboring sites, their distance (d) is found to have little effect on the reaction, but significant to the diffusion. For the same reaction competing at both sites, larger d leads to more efficient diffusion and better overall performance. However, for sequential reactions at the two sites, higher overall performance presents at a smaller d. The results should be helpful to the catalyst design and reaction control in the relevant processes.     

抗凝血药物研究进展

抗凝剂是血栓栓塞性疾病预防和长期治疗的主要药物.几十年来,华法林一直被用于抗凝治疗.然而,由于华法林的一些缺点,包括需要持续的常规监测、食物和药物相互作用,以及高出血发生率限制了其使用.随着新药的不断研发,目前出现了许多新型更安全的抗凝药物.这些药物起作用迅速,治疗范围相对较广,有的药物不需要凝血监测,使用更加方便.本文对抗凝药物的研究进展进行了综述和展望.