A theoretical perspective on segmental relaxation dynamics of model dendrimer

被引:1
|
作者
Bhardwaj, Shelly [1 ]
Kumar, Amit [1 ]
机构
[1] Jamia Millia Islamia, Cent Univ, Dept Chem, Theory & Simulat Lab, New Delhi 110025, India
关键词
Dendrimers; Orientational-relaxation; Semiflexibility; Segmental dynamics; NUCLEAR MAGNETIC-RELAXATION; POLY(PROPYLENE IMINE) DENDRIMERS; LATTICE NMR RELAXATION; MOLECULAR-DYNAMICS; ORIENTATIONAL RELAXATION; VISCOELASTIC RELAXATION; MACROMOLECULAR CHAINS; INTRINSIC-VISCOSITY; CASCADE MOLECULES; CORRELATION TIMES;
D O I
10.1016/j.chemphys.2024.112393
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The internal segmental diffusion and the relaxation modes are investigated, and the relationship between the topology of model dendrimers is established, all within the bounds of analytical and simulation approaches. The precise theoretical and simulation approaches are thoroughly described after sufficient data is provided for model theories and their predictions. The analytical framework of the Generalised Langevin Equation is exactly replicated in the results. The primary focus of this review is on the NMR technique for forecasting the occurrence of the prominent processes, such as bond pulsation, segment reorientation, and total dendrimer rotation, utilizing the relaxation spectrum at various time scales. The utilization of two autocorrelation functions, namely time and orientational, is given significant emphasis. These functions illustrate the mobility of branches and their dependence on the generation number. The text also includes discussions of the approximations, assumptions, and limitations of each author's chosen technique, when relevant.
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页数:16
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