Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Citation - WoS: 7Citation - Scopus: 8Size and Roughness Dependent Temperature Effects on Surface Charge of Silica Nanoparticles(Elsevier, 2021) Alan, Büşra Öykü; Barışık, Murat; Barışık, Murat; 03.10. Department of Mechanical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of TechnologySilica nanoparticles (SNP) with different sizes and surface areas are used in numerous micro/nanofluidic applications, while their surface charge properties play a major role in their function. In many of these applications, SNPs also undergo temperature variation. We present that an increase in temperature yields a substantial increase in SNP surface charge depending on nanoparticle size and surface roughness, which cannot be estimated by existing theory. As a continuation of our earlier work characterizing the deviation of SNP surface charging from theoretical predictions due to curvature and EDL overlap effects, this study presents the differentiation from the theory in temperature dependence under various conditions. As we calculate surface chemistry as a function of local ionic conditions (Charge Regulation), temperature variation changed the equilibrium constants of protonation/deprotonation reactions of the SNP surface, in addition to changes occurring in relative permittivity and ionic mobilities. Results show that variation of SNP surface charge by temperature decreases by decreasing particle size and/or increasing roughness size, compare to theoretical flat plate calculations considering similar temperature-dependent properties and charge regulation on the surface. We characterized these deviations by obtaining an electrokinetic similarity between different systems of various size and roughness at various ionic conditions based on the non-dimensional groups of lambda/DP and lambda/DR. Based on these, we devised a phenomenological model as an extension to the flat plate theory to successfully predict the surface charge of SNPs as a function of the particle size, roughness size, and temperature. The current findings are important for the characterization of SNPs through temperature variations and can also be used to adjust the surface charge of SNPs by tuning the temperature.Article Citation - WoS: 47Citation - Scopus: 46Surface Charge-Dependent Transport of Water in Graphene Nano-Channels(Springer Verlag, 2018) Çelebi, Alper Tunga; Barışık, Murat; Beşkök, Ali; 03.10. Department of Mechanical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of TechnologyDeionized 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.