Computational Discovery of Hydrogen Bond Design Rules for Electrochemical Ion Separation
نویسندگان
چکیده
منابع مشابه
Computational Discovery of Hydrogen Bond Design Rules for Electrochemical Ion Separation
Selective ion separation is a major challenge with far-ranging impact from water desalination to product separation in catalysis. Recently introduced ferrocene (Fc)/ ferrocenium (Fc+) polymer electrode materials have been demonstrated experimentally and theoretically to selectively bind carboxylates over perchlorate through weak C−H···O hydrogen bond (HB) interactions that favor carboxylates, d...
متن کاملComputational discovery of transcriptional regulatory rules
MOTIVATION Even in a simple organism like yeast Saccharomyces cerevisiae, transcription is an extremely complex process. The expression of sets of genes can be turned on or off by the binding of specific transcription factors to the promoter regions of genes. Experimental and computational approaches have been proposed to establish mappings of DNA-binding locations of transcription factors. How...
متن کاملUnsteady-state Computational Fluid Dynamics Modeling of Hydrogen Separation from H2/N2 Mixture
3D modeling of Pd/α-Al2O3 hollow fiber membrane by using computational fluid dynamic for hydrogen separation from H2/N2 mixture was considered in steady and unsteady states by using the concept of characteristic time. Characteristic time concept could help us to design and calculate surface to volume ratio and membrane thickness, and adjust the feed conditions. The contribution of resistance be...
متن کاملDevelopment of Palladium-Alloy Membranes for Hydrogen Separation and Purification
This paper summarizes R&D activities and progress at NORAM Engineering and the University of British Columbia (UBC) on preparation and testing of thin palladium-based membranes and their applications. Most of these activities were carried out internally at NORAM, some jointly with UBC and their spin-off company, Membrane Reactor Technology (MRT) through a wide range of projects. Key results out...
متن کاملinvestigating the feasibility of a proposed model for geometric design of deployable arch structures
deployable scissor type structures are composed of the so-called scissor-like elements (sles), which are connected to each other at an intermediate point through a pivotal connection and allow them to be folded into a compact bundle for storage or transport. several sles are connected to each other in order to form units with regular polygonal plan views. the sides and radii of the polygons are...
ذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Chemistry of Materials
سال: 2016
ISSN: 0897-4756,1520-5002
DOI: 10.1021/acs.chemmater.6b02378