Search for: polymer-chains
Experimental investigation and theoretical prediction of extrudate swell using conformational rheological models, Article International Polymer Processing ; Volume 27, Issue 4 , 2012 , Pages 478-485 ; 0930777X (ISSN) ; Ahmad Ramazani, S. A ; Amoli, H. H ; Kamyabi, A ; Sharif University of Technology
In this study the extrudate swell of polymer solutions is estimated using the microstructure of polymer molecules. When a flexible polymer chain goes through a narrow die shear stress exerting on the chain will cause the polymer chain to be stretched along the flow direction. After emerging from die all external stresses vanish immediately and the chains tend to recover their previous state due to elastic recovery. This phenomenon will results in a gradual increase in extrudate diameter and this is used as the key idea for estimating swell ratio. A Giesekus based conformational model was used in order to predict polymer chains microstructure everywhere in the domain. The resulting PDE set...
M.Sc. Thesis Sharif University of Technology ; Darbandi, Masoud
Due to important applications and benefits of mass transfer in engineering and especially in nano-scales engineering, nano-science researchers have focused on this field. Considerably, in classical fluid dynamics applications, the fluid can be transported using differential pressure gradient. But the classical methods require moving components, which are usually expensive and not applicable in nano-sizes. To avoid these problems in nano-size transportation, we can use electro-osmotic process to perform mass transfer in low transfer rates. In electro-osmotic process, we can move electrolyte solvent with the aid of an external electrical field. Due to importance of this process in...
Synthesis, Characterization and Emission Study of Bis-cyclometalated Platinum(II) Complexes Containing 2-Phenylpyridine Ligand and its Derivatives, M.Sc. Thesis Sharif University of Technology ; Jamali, Sirous
The bis(cyclometalated) platinum(II) complexes of the type [Pt(ppy)(p′py)], in which ppy = p′py = 2-(p-tolyl)pyridine, 6; ppy = 2-(3-bromophenyl)pyridine, p′py = 2-(p-tolyl)pyridine, 7; ppy = 2-(2,4-difluorophenyl)pyridine, p′py = 2-(p-tolyl)pyridine, 8; ppy = 2-(2,4-difluorophenyl)pyridine, p′py = 2-(2,4-difluorophenyl)pyridine, 9, have been prepared from the reaction of the cyclometalated platinum(II) complex [Pt(ppy)Me(SMe2)] with one equiv p′py and one equiv B(C6F5)3. The structure of 6, 7 and 10 determined using X-ray crystallography in solid state. However NMR spectroscopy methods have been used for structural characterization of the complexes in solution phase. The bis(cyclometalated)...
Thermal conductivity of polyamide-6,6 in the vicinity of charged and uncharged graphene layers: A molecular dynamics analysis, Article Journal of Physical Chemistry C ; Volume 116, Issue 26 , May , 2012 , Pages 14115-14122 ; 19327447 (ISSN) ; Gharib-Zahedi, M. R ; Spohr, E ; Böhm, M. C ; Sharif University of Technology
The thermal conductivity (λ) of nanoconfined polyamide-6,6 (PA) oligomers in polymer-graphene nanocomposites has been investigated by reverse nonequilibrium molecular dynamics (RNEMD) simulations. The preferential alignment of the PA chains parallel to the graphene plane as well as their elongation implies that λ of the polymer in nanocomposites is larger than that in the neat polymer system. The ordering of the polymer phase is enhanced in an arrangement of charged graphene surfaces made of one layer with a charge deficit and one with a charge excess. The consequence of the enhanced polymer ordering as well as the denser packing is an increase in λ in the polymer network. Differences in the...
Use of a novel initiator for synthesis of amino-end functionalized polystyrene (NH 2-PS) by atom transfer radical polymerization, Article Journal of Polymer Research ; Volume 19, Issue 1 , January , 2012 ; 10229760 (ISSN) ; Seidi, F ; Jahromi, P. E ; Salimi, H ; Roshan, S ; Najafi, A ; Bruns, N ; Sharif University of Technology
Here we report a versatile new method for endfunctionalizing polystyrene. In order to produce polystyrene with an amino end group, 2-(3-bromo-3- phenylpropyl) isoindoline-1,3-dione was synthesized and used as a novel initiator for ATRP. After ATRP polymerization, tri-n-butyltin hydride ((n-Bu) 3SnH) reductively replace existing halogens on polymer chains by hydrogen. Finally, the phthaloyl groups on polymer backbone were cleaved by treatment with hydrazine yielding amino terminated polystyrene. A polymer with M n≈10,350 and M w/M n01.17 was obtained. Therefore, this method allows the preparation of amino end functionalized polystyrene of narrow polydispersity with complete degree of...
Prediction of Henry's constant in polymer solutions using PCOR equation of state coupled with an activity coefficient model, Article Chinese Journal of Chemical Engineering ; Volume 23, Issue 3 , 2015 , Pages 528-535 ; 10049541 (ISSN) ; Behvandi, A ; Khorasheh, F ; Sharif University of Technology
In this paper, the polymer chain of rotator (PCOR) equation of state (EOS) was used together with an EOS/GE mixing rule (MHV1) and the Wilson's equation as an excess-Gibbs-energy model in the proposed approach to extend the capability and improve the accuracy of the PCOR EOS for predicting the Henry's constant of solutions containing polymers. The results of the proposed method compared with two equation of state (van der Waals and GC-Flory) and three activity coefficient models (UNIFAC, UNIFAC-FV and Entropic-FV) indicated that the PCOR EOS/Wilson's equation provided more accurate results. The interaction parameters of Wilson's equation were fitted with Henry's constant experimental data...
Article ASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels Collocated with 3rd Joint US-European Fluids Engineering Summer Meeting, ICNMM2010, 1 August 2010 through 5 August 2010, Montreal, QC ; Issue PARTS A AND B , 2010 , Pages 1035-1040 ; 9780791854501 (ISBN) ; Zakeri, R ; Schneider, G. E ; Sharif University of Technology
In this study, we simulate the motion and reformation of polymer chain in the nanoscale fluid flow motion of the DPD (Dissipative Particle Dynamics) solvent. The behavior of polymer chain through DPD solvent is studied for 2D and 3D considerations. We implement two body forces of Poiseuille flow and electroosmotic flow to the DPD fluid particles. In case of the electroosmotic flow force, we show that the movement of polymer chain via the electroosmotic phenomenon provides less dispersion than that of the Poiseuille flow for the same polymer chain movement
Article Nanoscale ; Volume 9, Issue 33 , 2017 , Pages 12170-12177 ; 20403364 (ISSN) ; Heidari, M ; Mashaghi, S ; Tans, S ; Ejtehadi, M. R ; Mashaghi, A ; Sharif University of Technology
Spatial confinement limits the conformational space accessible to biomolecules but the implications for bimolecular topology are not yet known. Folded linear biopolymers can be seen as molecular circuits formed by intramolecular contacts. The pairwise arrangement of intra-chain contacts can be categorized as parallel, series or cross, and has been identified as a topological property. Using molecular dynamics simulations, we determine the contact order distributions and topological circuits of short semi-flexible linear and ring polymer chains with a persistence length of lp under a spherical confinement of radius Rc. At low values of lp/Rc, the entropy of the linear chain leads to the...
Effect of organoclay loading and electron beam irradiation on the physico-mechanical properties of low-density polyethylene/ethylene-vinyl acetate blend, Article Polymers for Advanced Technologies ; Volume 22, Issue 12 , 2011 , Pages 2352-2359 ; 10427147 (ISSN) ; Behradfar, A ; Sheikh, N ; Sharif University of Technology
The influence of electron beam (EB) irradiation and organoclay (OC) loading on the properties of low-density polyethylene (LDPE)/ethylene-vinyl acetate (EVA) blends was investigated. The samples were subjected to the EB irradiation with the dose values of 50 and 250kGy. X-ray diffraction (XRD), gel content, mechanical, thermal, and electrical properties were utilized to analyze the characteristics of the LDPE/EVA blends with and without OC at different irradiation dosages. Gel content analysis showed that the OC promotes considerably the insoluble part so that the LDPE/EVA blends filled with OC become fully crosslinked at 250kGy; possibly through the formation of further crosslinks between...
On the sensitivity of the nanostructural parameters on youngg"s modulus of PLSNs in fully intercalated structures, Article Journal of Composite Materials ; Volume 43, Issue 24 , 2009 , Pages 2921-2941 ; 00219983 (ISSN) ; Bagheri, R ; Kazeminezhad, M ; Sharif University of Technology
Polymer-layered silicate nanocomposites have been observed to demonstrate enhanced mechanical properties particularly at low weight fractions of silicate. Experimental and theoretical investigations reveal that numerous structural parameters strongly influence the modulus of such nanocomposites. A multiscale micromechanical model is developed which considers a wide range of different affecting parameters including the particle aspect ratio, the number of silicate layers per stack, the d-spacing ratio between the layers, the penetration of polymer chains along silicate sheets, the intercalation feature, and the particle volume fraction. The developed model illustrates the accuracy and...
Investigating the effect of carbon nanotube defects on the column and shell buckling of carbon nanotube-polymer composites using multiscale modeling, Article International Journal for Multiscale Computational Engineering ; Volume 7, Issue 5 , 2009 , Pages 431-444 ; 15431649 (ISSN) ; Naghdabadi, R ; Sharif University of Technology
Carbon nanotube (CNT)-reinforced polymer composites have attracted great attention due to their exceptionally high strength. Their high strength can be affected by the presence of defects in the nanotubes used as reinforcements in practical nanocomposites. In this article, a new three-phase molecular structural mechanics/finite element (MSM/FE) multiscale model is used to study the effect of CNT vacancy defects on the stability of single-wall (SW) CNT-polymer composites. The nanotube is modeled at the atomistic scale using MSM, whereas the interphase layer and polymer matrix are analyzed by the FE method. The nanotube and polymer matrix are assumed to be bonded by van der Waals interactions...