Publications

Book Chapters:

  1. Erucar I. and Keskin S. “Molecular Modeling of MOF Membranes for Gas Separations”, Membrane for Gas Separations, World Scientific Publishers-Imperial College Press (Forthcoming, 2017).
  2. Erucar I. and Keskin S. “MOFs for CH4 Storage”, Comprehensive Energy Systems, Porous Materials, Elsevier (Forthcoming, 2017).

Journal Papers:

  1. G. Gunay Sezer, M. Arıcı, I Erucar, O. Z. Yesilel, H. Ucun Özel, B. T. Gemici, H. Erer, Zinc(II) and cadmium(II) coordination polymers containing phenylenediacetate and 4,4′-azobis(pyridine) ligands: Syntheses, structures, dye adsorption properties and molecular dynamics simulations, Journal of Solid State Chemistry, 255, 89-96, 2017.
  2. G. Gunay Sezer, O. Z. Yesilel, O. Sahin, H. Arslanoglu, I Erucar. Facile synthesis of 2D Zn(II) coordination polymer and its crystal structure, selective removal of methylene blue and molecular simulations, Journal of Molecular Structure 1143, 355-361, 2017.
  3. I Erucar, S Keskin, Computational assessment of MOF membranes for CH4/H2 separations, Journal of Membrane Science 514, 313-321, 2016.
  4. I Erucar, S Keskin, Efficient storage of drug and cosmetic molecules in biocompatible metal organic frameworks: a molecular simulation study, Industrial & Engineering Chemistry Research 55 (7), 1929-1939, 2016.
  5. I Erucar, S Keskin, Computational Methods for MOF/Polymer Membranes, The Chemical Record, 2016.
  6. I Erucar, S Keskin, Computational Modeling of bio-MOFs for CO2/CH4 separations, Chemical Engineering Science 130, 120-128, 2015.
  7. I Erucar, S Keskin, Molecular Modeling of MOF-based Mixed Matrix Membranes, Current Organic Chemistry 18 (18), 2364-2380, 2014.
  8. I Erucar, TA Manz, S Keskin, Effects of electrostatic interactions on gas adsorption and permeability of MOF membranes, Molecular Simulation 40 (7-9), 557-570, 2014.
  9. I Erucar, G Yilmaz, S Keskin, Recent Advances in Metal–Organic Framework‐Based Mixed Matrix Membranes, Chemistry–An Asian Journal 8 (8), 1692-1704, 2013.
  10. Z Ulker, I Erucar, S Keskin, C Erkey, Novel nanostructured composites of silica aerogels with a metal organic framework, Microporous and Mesoporous Materials 170, 352-358, 2013.
  11.  I Erucar, S Keskin, High CO2 selectivity of an amine-functionalized metal organic framework in adsorption-based and membrane-based gas separations, Industrial & Engineering Chemistry Research 52 (9), 3462-3472, 2013.
  12. I Erucar, S Keskin, Computational screening of metal organic frameworks for mixed matrix membrane applications, Journal of membrane science 407, 221-230, 2012.
  13. I Erucar, S Keskin, Screening metal–organic framework-based mixed-matrix membranes for CO2/CH4 separations, Industrial & Engineering Chemistry Research 50 (22), 12606-12616, 2011.
  14. I Erucar, S Keskin, Separation of CO2 mixtures using Zn (BDC)(TED)0.5 membranes and composites: A molecular simulation study, The Journal of Physical Chemistry C 115 (28), 13637-13644, 2011.
  15. E Atci, I Erucar, S Keskin, Adsorption and transport of CH4, CO2, H2 mixtures in a bio-MOF material from molecular simulations, The Journal of Physical Chemistry C 115 (14), 6833-6840, 2011.

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