非牛顿流体高分子溶液.PPT

Morphologies and Pair Interactions in Fullerene-Conjugated Oligomer Hybrids Investigated by Atomistic Molecular Dynamics Links between Molecular dynamics and Quantum chemical calculations Chlorobenzene (CB) Excitation energies of a single chain MEH-PPV, calculated by ZINDO/S method Mixed Nonane and CB (1:1) Quantum calculations were carried out using Gaussian 09 software package as provided by the NCHC Compound (eV) 　 　 　 　 SE(PM3) DFT(B3LYP/3-21G*) MEH-PPV LUMO -0.754 -1.211 HOMO -8.549 -5.204 C60 LUMO -2.886 -3.769 HOMO -9.480 -6.364 PCBM LUMO -2.807 -3.386 HOMO -9.165 -6.115 Force-field validation: PPV backbone, dihedral angle Energy level diagram for a donor–acceptor heterojunction: Structures refined by semi-empirical (SE) and density functional theory (DFT) 誰把流變做大了? * * * * * * * * * * * * simplex Complex Fluids Molecular Rheology Lab., Department of Chemical Engineering Rheology 中央大學化材系講稿 10/28/2011 Rheology is the science of fluids. More specifically, the study of Non-Newtonian Fluids 流體 什 麼 是 流 變 (Rheology)? 牛頓流體 - 水、有機小分子溶劑等 非牛頓流體 - 高分子溶液、膠體等 Newton’s law of viscosity 黏度η為定值 黏度不為定值 (尤其在快速流場下) Small molecule Macromolecule ● Deformable 非牛頓流體的三大特徵 特徵時間與無因次群分析 非牛頓黏度 (Non-Newtonian Viscosity) - Shear Thinning 非 牛 頓 流 體 的 特 徵 牛頓流體 (甘油加水) 非牛頓流體 (高分子溶液) Flow curve for non-Newtonian Fluids 正向應力差值的效應 (Normal Stress Differences) - Rod-Climbing 牛頓流體 (水) 非牛頓流體 (稀薄高分子溶液) 記憶效應 (Memory effects) - Elastic Recoil - Open Syphon Flow A decrease (thixotropy) and increase (anti-thixotropy) of the apparent viscosity with time at a constant rate of shear, followed by a gradual recovery when the motion is stopped Thixotropy behavior Anti-thixotropy behavior The distinction between a thixotropic fluid and a shear thinning fluid: A thixotropic fluid displays a decrease in viscosity over time at a constant shear rate. A shear thinning fluid displays decreasing viscosi