Search for: poisson-boltzmann
Article 4th International Conference on Nanochannels, Microchannels and Minichannels, ICNMM2006, Limerick, 19 June 2006 through 21 June 2006 ; Volume 2006 A , 2006 , Pages 209-214 ; 0791847608 (ISBN); 9780791847602 (ISBN) ; Monazami, R ; Salehi, M. A ; Sharif University of Technology
American Society of Mechanical Engineers 2006
In this paper, a three-dimensional numerical model is developed to analyze flow characteristics of pressure driven, electroosmotic and combined pressure driven-electroosmotic flows through micro-channels. The governing system of equations consists of the electric-field and flow-field equations. The solution procedure involves three steps. The net charge distribution on the cross section of the microchannel is computed by solving two-dimensional Poisson-Boltzmann equation using the finite element method. Then, using the computed fluid's charge distribution, the magnitude of the resulting body force due to interaction of an external electric field with the charged fluid is calculated along the...
Article 4th International Conference on Nanochannels, Microchannels and Minichannels, ICNMM2006, Limerick, 19 June 2006 through 21 June 2006 ; Volume 2006 A , 2006 , Pages 203-208 ; 0791847608 (ISBN); 9780791847602 (ISBN) ; Yazdi, S ; Salehi, M. A ; Sharif University of Technology
American Society of Mechanical Engineers 2006
In this paper, a three-dimensional numerical model is developed to analyze the influence of the Joule heating on flow characteristics of an electroosmotic flow through square cross section micro-channels. The governing system of equations consists of three sets of equations: electric potential distribution, flow-field and energy equations. The solution procedure involves three steps. The net charge distribution on the cross section of the micro-channel is computed by solving two-dimensional Poisson-Boltzmann equation using the finite element method. Then, using the computed fluid's charge distribution, the magnitude of the resulting body force due to interaction of an external electric field...
Article Microfluidics and Nanofluidics ; Vol. 17, issue. 1 , July , 2014 , pp. 199-215 ; ISSN: 16134982 ; Noruzitabar, M ; Mehboudi, M ; Sharif University of Technology
In this paper, we present an extension of dissipative particle dynamics method in order to study the mixed electroosmotic/pressure-driven micro- or nano-flows. This method is based on the Poisson-Boltzmann equation and has a great potential to resolve the electric double layer (EDL). Hence, apart from studying the bulk flow, it also provides a strong capability in order to resolve the complex phenomena occur inside the EDL. We utilize the proposed method to study the pure electroosmotic and also the mixed electroosmotic/pressure-driven flow through the straight micro-/nano-channels. The obtained results are in good agreement with the available analytical solutions. Furthermore, we study the...
Article ASME 2011 9th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM 2011 ; Volume 1 , 2011 , Pages 183-191 ; 9780791844632 (ISBN) ; Haroutunian, A ; Saidi, M. S ; Shafii, M. B ; Sharif University of Technology
Generally speaking, most micro-fluidic mixing systems are limited to the low Reynolds number regime in which diffusion dominates convection, and consequently the mixing process tends to be slow and it takes a relatively long time to have two fluids completely mixed. Therefore, rapid mixing is essential in micro-fluidic systems. In order to hasten the mixing process in micro scale, in this study we come up with a novel scheme for a two dimensional micro-fluidic mixer which encompasses three pairs of electrodes, one pair embedded in the mixing chamber and two pairs located in the micro-channels before and after the mixing chamber. The width of the middle pair is assumed to be twice of the...
Article Journal of Non-Newtonian Fluid Mechanics ; Volume 166, Issue 14-15 , August , 2011 , Pages 792-798 ; 03770257 (ISSN) ; Sadeghi, A ; Saidi, M. H ; Sharif University of Technology
Electroosmotic flow of power-law fluids in the presence of pressure gradient through a slit is analyzed. After numerically solving the Poisson-Boltzmann equation, the momentum equation with electroosmotic body force is solved through an iterative numerical procedure for both favorable and adverse pressure gradients. The results reveal that, in case of pressure assisted flow, shear-thinning fluids reach higher velocity magnitudes compared with shear-thickening fluids, whereas the opposite is true when an adverse pressure gradient is applied. The Poiseuille number is found to be an increasing function of the dimensionless Debye-Hückel parameter, the wall zeta potential, and the flow behavior...
Article Colloids and Surfaces A: Physicochemical and Engineering Aspects ; Volume 484 , 2015 , Pages 394-401 ; 09277757 (ISSN) ; Sadeghi, A ; Saidi, M. H ; Sharif University of Technology
Some of electrokinetic-based biomicrofluidic devices work at zeta potentials that are sufficiently high for ionic size (steric) effects to show up. In the present effort, consideration is given to the steric effects on the hydrodynamics of electroosmotic flow in a rectangular microchannel. The distinction between this research and the previous ones is that we account for non-linear rheology of the fluids encountered in biomicrofluidic systems by means of the power-law viscosity model. The method of analysis consists of a finite-difference-based numerical procedure for a non-uniform distribution of grid points, which is applied to the dimensionless form of the governing equations including...
Article Journal of Colloid and Interface Science ; Volume 442 , 2015 , Pages 8-14 ; 00219797 (ISSN) ; Sadeghi, A ; Saidi, M. H ; Sharif University of Technology
Academic Press Inc 2015
The electrokinetic phenomena at high zeta potentials may show several unique features which are not normally observed. One of these features is the ionic size (steric) effect associated with the solutions of high ionic concentration. In the present work, attention is given to the influences of finite ionic size on the cross stream diffusion process in an electrokinetically actuated Y-shaped micromixer. The method consists of a finite difference based numerical approach for non-uniform grid which is applied to the dimensionless form of the governing equations, including the modified Poisson-Boltzmann equation. The results reveal that, neglecting the ionic size at high zeta potentials gives...
Probe into the molecular mechanism of ibuprofen interaction with warfarin bound to human serum albumin in comparison to ascorbic and salicylic acids: Allosteric inhibition of anticoagulant release, Article Journal of Chemical Information and Modeling ; Volume 61, Issue 8 , 2021 , Pages 4045-4057 ; 15499596 (ISSN) ; Taghikhani, E ; Sharif University of Technology
American Chemical Society 2021
The release of anticoagulant drugs such as warfarin from human serum albumin (HSA) has been important not only mechanistically but also clinically for patients who take multiple drugs simultaneously. In this study, the role of some commonly used drugs, including s-ibuprofen, ascorbic acid, and salicylic acid, was investigated in the release of warfarin bound to HSA in silico. The effects of the aforementioned drugs on the HSA-warfarin complex were investigated with molecular dynamics (MD) simulations using two approaches; in the first perspective, molecular docking was used to model the interaction of each drug with the HSA-warfarin complex, and in the second approach, drugs were positioned...
Molecular dynamics simulation and MM-PBSA calculations of sickle cell hemoglobin in dimer form with Val, Trp, or Phe at the lateral contact, Article Journal of Physical Organic Chemistry ; Volume 23, Issue 9 , March , 2010 , Pages 866-877 ; 08943230 (ISSN) ; Akbarzadeh, H ; Parsafar, G. A ; Sharif University of Technology
As the delay time and hence nuclei formation play a crucial role in the pathophysiology of sickle cell disease, MD simulation and molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) calculations have been performed on three systems of hemoglobin; namely dimer of hemoglobin with valine (Hb S), tryptophan (Hbβ6W), and phenylalanine (Hbβ6F) at β6 position. The structural changes due to these aromatic substitutions are investigated. It is shown that β subunits have significant impact on the differences between a dimer and other crystal structures. Transition from a dimer to polymer for Hb S system affects the donor molecule more than that of the acceptor. In the case of donor and...