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Articles 1 - 8 of 8
Full-Text Articles in Nanoscience and Nanotechnology
The Impact Of Controlled Solvent Exposure On The Morphology, Structure And Function Of Bulk Heterojunction Solar Cells, Raghavendra R. Hegde Dr
The Impact Of Controlled Solvent Exposure On The Morphology, Structure And Function Of Bulk Heterojunction Solar Cells, Raghavendra R. Hegde Dr
Raghavendra R Hegde Dr
Films of poly(3-hexyl thiophene) (P3HT):[6,6]-phenyl C61-butyric acid methyl ester (PCBM) were controllably exposed to CS2 vapor in a column with a linear solvent vapor pressure gradient. Changes in the morphology of the P3HT:PCBM thin film were monitored and correlated to the ability of this thin film to act as the active layer in an organic solar cell. The results show that the crystallinity and crystal size of the P3HT increase initially with solvent vapor pressure and annealing time, but longer exposure to solvent decreases P3HT crystallinity and photovoltaic efficiency. Neutron reflectivity indicates that the PCBM segregates to the Si substrate …
Dynamics Of Individual Molecules Of Linear Polyethylene Liquids Under Shear: Atomistic Simulation And Comparison With A Free-Draining Bead-Rod Chain, David Keffer, J. M. Kim, B. J. Edwards, B. Khomami
Dynamics Of Individual Molecules Of Linear Polyethylene Liquids Under Shear: Atomistic Simulation And Comparison With A Free-Draining Bead-Rod Chain, David Keffer, J. M. Kim, B. J. Edwards, B. Khomami
David Keffer
Nonequilibrium molecular dynamics (NEMD) simulations of a dense liquid composed of linear polyethylene chains were performed to investigate the chain dynamics under shear. Brownian dynamics (BD) simulations of a freely jointed chain with equivalent contour length were also performed in the case of a dilute solution. This allowed for a close comparison of the chain dynamics of similar molecules for two very different types of liquids. Both simulations exhibited a distribution of the end-to-end vector, |Rete|, with Gaussian behavior at low Weissenberg number (Wi). At high Wi, the NEMD distribution was bimodal, with two peaks …
پاسخهای تشریحی سوالات کنکور کارشناسی ارشد رشته شیمی کاربردی-چاپ دوم-ویرایش جدید, A. Khataee, M. H. Rasoulifard, Mir Saeed Seyed Dorraji, V. Vatanpoor
پاسخهای تشریحی سوالات کنکور کارشناسی ارشد رشته شیمی کاربردی-چاپ دوم-ویرایش جدید, A. Khataee, M. H. Rasoulifard, Mir Saeed Seyed Dorraji, V. Vatanpoor
Mir saeed Seyed Dorraji
No abstract provided.
Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, David Keffer
Self-Consistent Multiscale Modeling In The Presence Of Inhomogeneous Fields, David Keffer
David Keffer
Molecular dynamics (MD) simulations of a Lennard–Jones fluid in an inhomogeneous external field generate steady-state profiles of density and pressure with nanoscopic heterogeneities. The continuum level of mass, momentum, and energy transport balances is capable of reproducing the MD profiles only when the equation of state for pressure as a function of density is extracted directly from the molecular level of description. We show that the density profile resulting from simulation is consistent with both a molecular-level theoretical prediction from statistical mechanics as well as the solution of the continuum-level set of differential equations describing the conservation of mass and …
Removal Of Organic Dyes From Industrial Wastewaters Using Uv/H2o2, Uv/H2o2/Fe (Ii), Uv/H2o2/Fe (Iii) Processes (Persian Paper), Mir Saeed Seyed Dorraji
Removal Of Organic Dyes From Industrial Wastewaters Using Uv/H2o2, Uv/H2o2/Fe (Ii), Uv/H2o2/Fe (Iii) Processes (Persian Paper), Mir Saeed Seyed Dorraji
Mir saeed Seyed Dorraji
UV/H2O2, UV/H2O2/Fe (II) and UV/H2O2/Fe (III) processes are very effective in removing pollutants from wastewater and can be used for treatment of dyestuff units wastewaters. In this study, Rhodamine B was used as a typical organic dye. Rhodamine B has found wide applications in wax, leather, and paper industries. The results from this study showed that this dye was degradable in the presence of hydrogen peroxide under UV-C irradiation (30W mercury light) and Photo-Fenton process. The dye was resistant to UV irradiation. In the absence of UV irradiation, the decolorization efficiency was very negligible in the presence of hydrogen. Theeffects …
Supercritical Water Oxidation Process And Its Application In Treatment Of Industrial Wastewater (Persian Paper), N. Daneshvar, S. Aber, Mir Saeed Seyed Dorraji, M. Zarei, M. H. Rasoulifard
Supercritical Water Oxidation Process And Its Application In Treatment Of Industrial Wastewater (Persian Paper), N. Daneshvar, S. Aber, Mir Saeed Seyed Dorraji, M. Zarei, M. H. Rasoulifard
Mir saeed Seyed Dorraji
In the last two decades, supercritical water has become an interesting medium for chemistry. One of its most investigated applications is the oxidative treatment of aqueous wastes containing organic compound in the so-called “supercritical water oxidation”. In this technology, supercritical water acts as a non-polar solvent. Consequently, even non-polar organic compounds and gases like oxygen become completely miscible with the supercritical fluid. During the supercritical water oxidation (SCWO) process, the organic compounds react completely with oxidant –mostly oxygen- in a single phase reaction forming CO2 and H2O. The hetero-atoms present in the organic wastes are transformed into the mineral acids. …
Atomistic Simulation Of Energetic And Entropic Elasticity In Short-Chain Polyethylenes, David Keffer, T. C. Ionescu, V. G. Mavrantzas, B. J. Edwards
Atomistic Simulation Of Energetic And Entropic Elasticity In Short-Chain Polyethylenes, David Keffer, T. C. Ionescu, V. G. Mavrantzas, B. J. Edwards
David Keffer
The thermodynamical aspects of polymeric liquids subjected to uniaxial elongational flow are examined using atomistically detailed nonequilibrium Monte Carlo simulations. In particular, attention is paid to the energetic effects, in addition to the entropic ones, which occur under conditions of extreme deformation. Atomistic nonequilibrium Monte Carlo simulations of linear polyethylene systems, ranging in molecular length from C24 to C78 and for temperatures from 300 to 450 K, demonstrate clear contributions of energetic effects to the elasticity of the system. These are manifested in a conformationally dependent heat capacity, which is significant under large deformations. Violations of the hypothesis …
Energetic And Entropic Elasticity Of Nonisothermal Flowing Polymers: Experiment, Theory, And Simulation, David Keffer, T. C. Ionescu, B. J. Edwards, V. G. Mavrantzas
Energetic And Entropic Elasticity Of Nonisothermal Flowing Polymers: Experiment, Theory, And Simulation, David Keffer, T. C. Ionescu, B. J. Edwards, V. G. Mavrantzas
David Keffer
The thermodynamical aspects of polymeric liquids subjected to nonisothermal flow are examined from the complementary perspectives of theory, experiment, and simulation. In particular, attention is paid to the energetic effects, in addition to the entropic ones, that occur under conditions of extreme deformation. Comparisons of experimental measurements of the temperature rise generated under elongational flow at high strain rates with macroscopic finite element simulations offer clear evidence of the persistence and importance of energetic effects under severe deformation. The performance of various forms of the temperature equation are evaluated with regard to experiment, and it is concluded that the standard …