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基于玻璃化转变的分子串模型的分子串弛豫方程,提出了更为精确的模拟分子串中所有空间弛豫模式(SRM)的蒙特卡罗模拟方案. 模拟得出各个SRM的弛豫时间随温度和分子串长度的变化结果与分子串模型中分子串弛豫方程的预言完全一致,即理论预期和模拟结果相互印证. 应当指出,分子串能否作为液态中集体单元的必要条件是在考虑到分子串之间的不均匀随机相互作用后,分子串的所有SRM的定性特征是不能改变的,这就需要对不同分子串的SRM之间的耦合进行研究. 但是迄今为止,仍未发现相关的严格解,仅有近似的自洽弛豫平均场方法. 由此可知,所提出的模拟方案为研究不同分子串的SRM之间的耦合(包括上述自洽场的可行性)提供了必要的基础.
关键词:
玻璃化转变
弛豫动力学
蒙特卡罗模拟
分子串 相似文献
54.
利用COMSOL Multiphysics 5.3软件构建了聚酰亚胺纤维三维有限元模型。 该模型实现了固体传热和表面对表面辐射传热产生的温度场中聚酰亚胺纤维固体力学的计算,重点分析了孔洞的大小、位置和热膨胀系数的差异对聚酰亚胺纤维力学性能的影响。 结果表明,聚酰亚胺(PI)纤维在两端固定约束的条件下,在固体传热和表面对表面辐射传热产生的温度场中呈现相似的应力变化趋势,即聚酰亚胺纤维出现孔洞,使纤维的力学性能降低,孔洞越大,应力分布越不均衡,越不利于纤维性质的稳定;温度越高,应力越大;但随着负轴向热膨胀系数的增加,应力逐渐减小。 相似文献
55.
磷脂跨膜交换对生物膜功能与药学研究有重要意义.石英电子微天平及耗散系数测量仪被用于研究囊泡与支撑膜间磷脂的交换行为.研究表明:首先,在磷脂跨膜输运过程中,热力学环境和离子强度对支撑膜表面吸附囊泡的形变程度影响较小,囊泡与支撑膜的总接触面积直接取决于囊泡的吸附数量;其次,交换过程中膜结构间最大总接触面积随着温度的升高和离子强度的降低而增大,温度和离子引起的囊泡吸附速率和跨膜交换速率的变化在其中发挥着关键调节作用.本研究有助于加深对磷脂在生理条件下跨膜输运过程的理解,并为基于脂质体的药物载运体系研究提供参考. 相似文献
56.
It is proved that the maximum eigenvalue sequence of the principal submatrices of coupling matrix is decreasing. The method of calculating the number of pinning nodes is given based on this theory. The findings reveal the relationship between the decreasing speed of maximum eigenvalue sequence of the principal submatrices for coupling matrix and the synchronizability on complex networks via pinning control. We discuss the synchronizability on some networks, such as scale-free networks and small-world networks. Numerical simulations show that different pinning strategies have different pinning synchronizability on the same complex network, and the consistence between the synchronizability with pinning control and one without pinning control in various complex networks. 相似文献
57.
The application of reed-vibration mechanical spectroscopy for liquids to detect chemical reactions of an acrylic structural adhesive 下载免费PDF全文
There remain a number of unsolved problems about chemical reactions, and it is significant to explore new detection methods because they always offer some unique information about reactions from new points of view. For the first time, the solidification course of a modified two-component acrylic structural adhesive is measured by using reed-vibration mechanical spectroscopy for liquids (RMS-L) in this work, and results show that there are four sequential processes of mechanical spectra with time. The in-depth analyses indicate that RMS-L can detect in real-time the generation and disappearance of active free radicals, as well as the chemical cross-link processes in the adhesive. This kind of real-time detection will undoubtedly facilitate the study of the chemical reaction dynamics controlled by free radicals. 相似文献
58.
Regulation of the intermittent release of giant unilamellar vesicles under osmotic pressure 下载免费PDF全文
Osmotic pressure can break the fluid balance between intracellular and extracellular solutions. In hypo-osmotic solution, water molecules, which transfer into the cell and burst, are driven by the concentration difference of solute across the semi-permeable membrane. The complicated dynamic processes of intermittent bursts have been previously observed. However, the underlying physical mechanism has yet to be thoroughly explored and analyzed. Here, the intermittent release of inclusion in giant unilamellar vesicles was investigated quantitatively, applying the combination of experimental and theoretical methods in the hypo-osmotic medium. Experimentally, we adopted a highly sensitive electron multiplying charge-coupled device to acquire intermittent dynamic images. Notably, the component of the vesicle phospholipids affected the stretch velocity, and the prepared solution of vesicles adjusted the release time. Theoretically, we chose equations and numerical simulations to quantify the dynamic process in phases and explored the influences of physical parameters such as bilayer permeability and solution viscosity on the process. It was concluded that the time taken to achieve the balance of giant unilamellar vesicles was highly dependent on the molecular structure of the lipid. The pore lifetime was strongly related to the internal solution environment of giant unilamellar vesicles. The vesicles prepared in viscous solution were able to visualize long-lived pores. Furthermore, the line tension was measured quantitatively by the release velocity of inclusion, which was of the same order of magnitude as the theoretical simulation. In all, the experimental values well matched the theoretical values. Our investigation clarified the physical regulatory mechanism of intermittent pore formation and inclusion release, which provides an important reference for the development of novel technologies such as gene therapy based on transmembrane transport as well as controlled drug delivery based on liposomes. 相似文献
59.
利用Lagrange插值理论重构了GM(1,1)预测模型的背景值,以提高改进GM(1,1)模型的预测精度和实效性,进而利用该模型对新疆人口发展态势进行了科学分析与预测. 相似文献
60.
With characteristic of structural integrity and high surface area, nanoporous gold (NPG) prepared by dealloying method is
proposed to be a highly sensitive catalyst for glucose electrooxidation. It can be found that a-NPG which obtained by electrochemical
corrosion method has the highest sensitivity for glucose electrooxidation among the three studied samples. Under alkaline
conditions, the catalytic current density of a-NPG is over 1.5 times and 17 times higher than that of f-NPG (prepared by free
corrosion) and poly-Au electrode, respectively. Using a-NPG sample for glucose detection, the obtained minimum sensible concentration
are 413 nM in alkaline media and 1 μM in neutral solutions. The a-NPG electrode also shows stable recovery and reproducibility
characteristics. These results indicate that NPG may work as an efficient electrode material for electrochemical sensors and
a promising catalyst for alkaline glucose fuel cells. 相似文献