Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Alper T. Celebi"'
Autor:
Laura L. E. Mears, Julia Appenroth, Hui Yuan, Alper T. Celebi, Pierluigi Bilotto, Alexander M. Imre, Bruno Zappone, Rongxin Su, Markus Valtiner
Publikováno v:
Biointerphases. 17(5)
Protein-based underwater adhesives of marine organisms exhibit extraordinary binding strength in high salinity based on utilizing a variety of molecular interaction mechanisms. These include acid-base interactions, bidentate bindings or complex hydro
Publikováno v:
Journal of Physical Chemistry C
Electroosmotic slip flows in the Debye–Hückel regime were previously investigated using molecular dynamics and continuum transport perspectives ( J. Phys. Chem. C 2018, 122, 9699). This continuing work focuses on distinct electrostatic coupling re
Publikováno v:
Journal of Chemical and Engineering Data, 66(8)
Molecular dynamics simulations are carried out to compute the intradiffusion coefficients of H2 and O2 in H2O for temperatures ranging from 275.15 to 975.15 K and pressures ranging from 0.1 to 200 MPa. These conditions span vapor, liquid, and supercr
Publikováno v:
Journal of Chemical Physics, 154(18)
Deep eutectic solvents (DESs) have emerged as a cheaper and greener alternative to conventional organic solvents. Choline chloride (ChCl) mixed with urea at a molar ratio of 1:2 is one of the most common DESs for a wide range of applications such as
Publikováno v:
Molecular Physics: an international journal at the interface between chemistry and physics, 119(19-20)
Accurate knowledge and control of thermal conductivities is central for the efficient design of heat storage and transfer devices working with deep eutectic solvents (DESs). The addition of water is a straightforward and cost-efficient way of tuning
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ffee1583c6b856559f4eeba88471a82e
http://resolver.tudelft.nl/uuid:2e36dd16-6708-4633-acd5-db662ddf7d1f
http://resolver.tudelft.nl/uuid:2e36dd16-6708-4633-acd5-db662ddf7d1f
Autor:
Othonas A. Moultos, Alper T. Celebi, Remco Hens, Ali Poursaeidesfahani, David Dubbeldam, Noura Dawass, Máté Erdős, Ahmadreza Rahbari, Sebastián Caro-Ortiz, Thijs J. H. Vlugt, Mahinder Ramdin, Hirad S. Salehi
Publikováno v:
Journal of Chemical Information and Modeling, 60(6), 2678-2682. American Chemical Society
Journal of Chemical Information and Modeling
Journal of Chemical Information and Modeling, 60(6)
Journal of Chemical Information and Modeling
Journal of Chemical Information and Modeling, 60(6)
We present a new molecular simulation code, Brick-CFCMC, for performing Monte Carlo simulations using state-of-the-art simulation techniques. The Continuous Fractional Compo-nent (CFC) method is implemented for simulations in the NVT/NPT ensembles, t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f7c1eb4ac4f93e5d8fa850dce771d53
https://dare.uva.nl/personal/pure/en/publications/brickcfcmc-open-source-software-for-monte-carlo-simulations-of-phase-and-reaction-equilibria-using-the-continuous-fractional-component-method(f980bef1-ad5e-4be5-bda5-eaddc70dd158).html
https://dare.uva.nl/personal/pure/en/publications/brickcfcmc-open-source-software-for-monte-carlo-simulations-of-phase-and-reaction-equilibria-using-the-continuous-fractional-component-method(f980bef1-ad5e-4be5-bda5-eaddc70dd158).html
Publikováno v:
Molecular Simulation, 47 (2021)(10-11)
The number of molecules used in a typical Molecular Dynamics (MD) simulations is orders of magnitude lower than in the thermodynamic limit. It is therefore essential to correct diffusivities computed from Molecular Dynamics simulations for finite-siz
Autor:
Alper T. Celebi, Ali Beskok
Publikováno v:
The Journal of Physical Chemistry C. 122:9699-9709
Velocity slip in electroosmotic flows (EOF) is investigated using an analytical solution of Poisson–Boltzmann and Stokes (PB-S) equations with slip correction, and the results are compared with the predictions from molecular dynamics (MD) simulatio
Publikováno v:
Journal of Chemical Physics, 154(14)
With the emergence of hydrophobic deep eutectic solvents (DESs), the scope of applications of DESs has been expanded to include situations in which miscibility with water is undesirable. Whereas most studies have focused on the applications of hydrop
Publikováno v:
The Journal of Physical Chemistry. B
The Journal of Physical Chemistry Part B (Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter), 123(51)
The Journal of Physical Chemistry Part B (Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter), 123(51)
Deep eutectic solvents (DESs) are a new generation of green solvents, which are considered an environmentally friendly alternative to ionic liquids and volatile organic compounds. The addition of controlled amounts of water to DESs has a significant