MIPs logo MIPdatabase      MIP2020 Conference logo Use this space
Custom Search
Reference type: Journal
Authors: Tadi KK, Motghare RV
Article Title: Computational and experimental studies on oxalic acid imprinted polymer.
Publication date: 2013
Journal: Journal of Chemical Sciences
Volume: 125
Issue: (2)
Page numbers: 413-418.
DOI: 10.1007/s12039-013-0381-2
Alternative URL: https://www.researchgate.net/publication/257766866_Computational_and_experimental_studies_on_oxalic_acid_imprinted_polymer

Abstract: Computational approach plays an important role to pre-evaluate the interactions between template and functional monomer, so that to choose functional monomer having stronger interactions with template during synthesis of molecularly imprinted polymers (MIPs). Hence template-monomer interactions in pre-polymerization were mainly focused. In this paper, computational chemistry was applied to screen the number of mol of functional monomer that interacts with one mol of template. Intermolecular interactions between oxalic acid and acrylamide have been investigated. The binding energies Δ Ebind were calculated by DFT (B3LYP) level of theory with the 6-31+G(d,p) basis set. It was found that four mol of acrylamide were sufficient to interact with one mol of oxalic acid in the pre-polymerization mixture. Four possible conformations and frequency calculations were performed to locate minima. Oxalic acid specific bulk polymer was obtained by the thermal initiated free radical co-polymerization of acrylamide and ethylene glycol dimethacrylate with oxalic acid as template and acetonitrile as porogen. The synthesized MIP efficiently adsorbed oxalic acid from aqueous solutions. The binding parameters of MIP and non-imprinted polymer (NIP) were compared by Freundlich and Langmuir adsorption isotherms
Template and target information: oxalic acid
Author keywords: computational approach, molecularly imprinted polymer, Oxalic Acid, Adsorption Studies


  Periodic table Cream Cakes - the chemical formula for naughty but nice apron  Periodic table Bag bag  Meerkat somebody mention coffee mug

Molecules Special Issue call      Appeal for information






 

Join the Society for Molecular Imprinting
Logo of the Society for Molecular Imprinting

New items RSS feed
new items RSS feed  View latest updates

Sign-up for e-mail updates:
Choose between receiving an occasional newsletter or more frequent e-mail alerts.
Click here to go to the sign-up page.


Is your name elemental or peptidic? Enter your name and find out by clicking either of the buttons below!
Other products you may like:
view listings for MIP books on eBay:



Mickey Mouse 90th Anniversary banner