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The crowding agent induced phase transition of amphiphilic block copolymers in solution was explicitly considered. The influence of the size and the volume fraction of the crowding agent on the phase separation of amphiphilic diblock copolymers is investigated by using self-consistent field theory (SCFT) method. The concentration of the disorder to order transition of the block copolymer decreases when the size of the crowding agent is larger than that of the solvent. The higher volume fraction of the crowding agent will induce the transition of the block copolymer from disorder to order state at a lower concentration. The relation between the size and the volume fraction of the crowding agent is elucidated. When the size of the crowding agent is larger, its volume fraction of the disorder to order transition of the block copolymer will be lower. The conformation of the crowding agent considered as a polymer chain is also studied and compared. 相似文献
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Theoretical insights into the formation of thiolate-protected nanoparticles from gold(Ⅲ) chloride 下载免费PDF全文
Reaction pathways for the formation of thiolate-gold nanoparticles are investigated by density functional theory(DFT) and a new mechanism upon solvent polarity and tetraalkylammonium is obtained. In solvents with high polarities, [Au(I)SR]n polymers can be formed as the precursor of metal ions prior to the addition of a reducing agent; while a product of [Cl···AuCl(HSR)] is identified as the precursor in solvents with low polarities, such as toluene and chloroform.In addition, tetraalkylammonium also has an obvious effect on the reactions when it is used as a phase transfer agent in the two-phase synthesis. These findings offer a systematic analysis on the pathways to thiolate-stabilized nanoparticles and give a favorable explanation by comparison with those in an experimental system. 相似文献
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基于SEM的MLCC端电极焊接失效分析 总被引:1,自引:0,他引:1
针对多层陶瓷电容器端电极锡镀层的可焊性失效问题,运用扫描电子显微镜(SEM)分析了锡镀层的微观结构,并用能谱仪对其进行成分分析,找出了失效的主要原因:可焊性变差样品的端电极表面锡镀层出现因氧化产生的异常区域,以至于器件的可焊性变差.并通过后期的可焊性实验验证了分析的结果,找出了端电极焊接失效的原因,并提出了应对端电极氧化问题的改进措施.根据分析提出了改进意见,较好地解决了器件的焊接失效问题. 相似文献
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针对某些双原子分子基电子态与激发态势能曲线存在相交,从而引起利用从头计算确定分子基电子态时因初始输入不同而确定出的基态不同的情况,提出了一种将势能曲线计算和优化计算相结合确定基电子态的方法,并运用它确定B+2分子的基电子态.解释了文献中对于它的基电子态的计算出现不同结果的原因. 相似文献
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氢化钚与CO反应体系的耦合效应 总被引:1,自引:1,他引:0
氢化钚与CO反应体系有七个独立组分、四种元素和三个独立反应方程式,分别计算了CO(g)、CO2(g)和H2(g)在同时反应和单独反应中的平衡组成。计算表明:同时反应有耦合作用,低温有利于CO(g)的转化和Pu2O3(s)的生成。与单独反应相比,体系中有较多的Pu2O3(s)生成,其平衡组成也有较大差异。计算结果对钚的表面防腐有一定的参考价值。 相似文献
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通过对分子动力学模拟公式和同位素相互作用势特点的分析,提出用一个统一的状态方程描述同位素气体的P-V-T特性.进而选用Benedict-Webb-Rubin方程作为统一的状态方程,利用H2气体的135组实验值确定其八个参数.这个方程的计算结果与H2和D2气体的实验值符合良好.T2气体目前尚未见到成套的P-V-T实验数据报道,不能直接与实验结果对比,但与T2气体的分子动力学模拟计算结果一致. 相似文献
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将Beattie-Bridgeman(BB)方程和其改进形式Benedict-Webb-Rubin(BWR)方程应用于低温高密度的N2气体,通过计算值与实验值的比较发现:在N2气体温度低至150 K、压强达100 MPa和密度达临界密度ρc的2.548倍时,BWR方程仍能计算出可靠的结果,对低于临界温度的过冷气体也能给出较高准确度的计算结果,这说明该方程对低温高密度的N2气体能准确描述。而BB方程却不适用于低温高密度的情况。 相似文献
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