Mechanical Engineering / Makina Mühendisliği
Permanent URI for this collectionhttps://hdl.handle.net/11147/4129
Browse
5 results
Search Results
Article Citation - WoS: 23Citation - Scopus: 24An Extended Kozeny-Carman Model for Gas Permeability in Micro/Nano-porous Media(American Institute of Physics, 2019) Sabet, Safe; Barışık, Murat; Mobedi, Moghtada; Beşkök, AliGas transport in micropores/nanopores deviates from classical continuum calculations due to nonequilibrium in gas dynamics. In such a case, transport can be classified by the Knudsen number (Kn) as the ratio of gas mean free path and characteristic flow diameter. The well-known Klinkenberg correction and its successors estimate deviation from existing permeability values as a function of Kn through a vast number of modeling attempts. However, the nonequilibrium in a porous system cannot be simply modeled using the classical definition of the Kn number calculated from Darcy's definition of the pore size or hydraulic diameter. Instead, a proper flow dimension should consider pore connectivity in order to characterize the rarefaction level. This study performs a wide range of pore-level analysis of gas dynamics with different porosities, pore sizes, and pore throat sizes at different Kn values in the slip flow regime. First, intrinsic permeability values were calculated without any rarefaction effect and an extended Kozeny-Carman model was developed by formulating the Kozeny-Carman constant by porosity and pore to throat size ratio. Permeability increased by increasing the porosity and decreasing the pore to throat size ratio. Next, velocity slip was applied on pore surfaces to calculate apparent permeability values. Permeability increased by increasing Kn at different rates depending on the pore parameters. While the characterization by the Kn value calculated with pore height or hydraulic diameter did not display unified behavior, relating permeability values with the Kn number calculated from the equivalent height definition created a general characterization based on the porosity independent from the pore to throat size ratio. Next, we extended the Klinkenberg equation by calculating unknown Klinkenberg coefficients which were found as a simple first order function of porosity regardless of the corresponding pore connectivity. The extended model as a combination of Kozeny-Carman for intrinsic permeability and Klinkenberg for apparent permeability correction yielded successful results. Published under license by AIP Publishing.Article Citation - WoS: 47Citation - Scopus: 46Surface Charge-Dependent Transport of Water in Graphene Nano-Channels(Springer Verlag, 2018) Çelebi, Alper Tunga; Barışık, Murat; Beşkök, AliDeionized water flow through positively charged graphene nano-channels is investigated using molecular dynamics simulations as a function of the surface charge density. Due to the net electric charge, Ewald summation algorithm cannot be used for modeling long-range Coulomb interactions. Instead, the cutoff distance used for Coulomb forces is systematically increased until the density distribution and orientation of water atoms converged to a unified profile. Liquid density near the walls increases with increased surface charge density, and the water molecules reorient their dipoles with oxygen atoms facing the positively charged surfaces. This effect weakens away from the charged surfaces. Force-driven water flows in graphene nano-channels exhibit slip lengths over 60 nm, which result in plug-like velocity profiles in sufficiently small nano-channels. With increased surface charge density, the slip length decreases and the apparent viscosity of water increases, leading to parabolic velocity profiles and decreased flow rates. Results of this study are relevant for water desalination applications, where optimization of the surface charge for ion removal with maximum flow rate is desired.Article Citation - WoS: 44Citation - Scopus: 47Electric Field Controlled Transport of Water in Graphene Nano-Channels(American Institute of Physics, 2017) Çelebi, Alper Tunga; Barışık, Murat; Beşkök, AliMotivated by electrowetting-based flow control in nano-systems, water transport in graphene nano-channels is investigated as a function of the applied electric field. Molecular dynamics simulations are performed for deionized water confined in graphene nano-channels subjected to opposing surface charges, creating an electric field across the channel. Water molecules respond to the electric field by reorientation of their dipoles. Oxygen and hydrogen atoms in water face the anode and cathode, respectively, and hydrogen atoms get closer to the cathode compared to the oxygen atoms near the anode. These effects create asymmetric density distributions that increase with the applied electric field. Force-driven water flows under electric fields exhibit asymmetric velocity profiles and unequal slip lengths. Apparent viscosity of water increases and the slip length decreases with increased electric field, reducing the flow rate. Increasing the electric field above a threshold value freezes water at room temperature.Article Citation - WoS: 23Citation - Scopus: 24Law of the Nano-Wall” in Nano-Channel Gas Flows(Springer, 2016) Barışık, Murat; Beşkök, AliMolecular dynamics simulations of force-driven nano-channel gas flows show two distinct flow regions. While the bulk flow region can be determined using kinetic theory, transport in the near-wall region is dominated by gas–wall interactions. This duality enables definition of an inner-layer scaling, (Formula presented.) , based on the molecular dimensions. For gas–wall interactions determined by Lennard–Jones potential, the velocity distribution for (Formula presented.) exhibits a universal behavior as a function of the local Knudsen number and gas–wall interaction parameters, which can be interpreted as the “law of the nano-wall.” Knowing the velocity and density distributions within this region and using the bulk flow velocity profiles from Beskok–Karniadakis model (Beskok and Karniadakis in Microscale Thermophys Eng 3(1):43–77, 1999), we outline a procedure that can correct kinetic-theory-based mass flow rate predictions in the literature for various nano-channel gas flows.Article Citation - WoS: 33Citation - Scopus: 39Molecular Free Paths in Nanoscale Gas Flows(Springer Verlag, 2015) Barışık, Murat; Beşkök, AliAverage distance traveled by gas molecules between intermolecular collisions, known as the mean free path (MFP), is a key parameter for characterizing gas flows in the entire Knudsen regime. Recent literature presents variations in MFP as a function of the surface confinement, which is in disagreement with the kinetic theory and leads to wrong physical interpretations of nanoscale gas flows. This controversy occurs due to erroneous definition and calculation practices, such as consideration of gas wall collisions, using local bins smaller than a MFP, and utilizing time frames shorter than a mean collision time in the MFP calculations. This study reports proper molecular MFP calculations in nanoscale confinements by using realistic molecular surfaces. We utilize molecular dynamics (MD) simulations to calculate gas MFP in three-dimensional periodic systems of various sizes and for force-driven gas flows confined in nano-channels. Studies performed in the transition flow regime in various size nano-channels and under a range of gas–surface interaction strengths have shown isotropic mean travelled distance and MFP values in agreement with the kinetic theory regardless of the surface forces and surface adsorption effects. Comparison of the velocity profiles obtained in MD simulations with the linearized Boltzmann solutions at predicted Knudsen values shows good agreement in the bulk of the channels, while deviations in the near wall region due to the influence of surface forces are reported.