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Electrokinetic Potential, Thermal and Microscopic Investigation of Surfactant‐Polymer Templates on Precipitated Calcium Carbonate Morphology with Dynamic Simulation
Author(s) -
Patel Dhruvi,
Kuperkar Ketan C.
Publication year - 2018
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201702351
Subject(s) - chemical engineering , polymer , polyvinyl alcohol , materials science , pulmonary surfactant , zeta potential , polyethylene glycol , copolymer , polyvinyl acetate , electrokinetic phenomena , polymer chemistry , nanoparticle , nanotechnology , composite material , engineering
Morphology modification in the synthesized Precipitated Calcium Carbonate (PCC) is done using template made of surfactant: cetyltrimethylammonium bromide (CTAB) with different linear polymers: polyvinyl alcohol (PVA), polyvinyl acetate (PVAc), polyethylene glycol (PEG), and Pluronics ® (tri‐block copolymers: PEO‐PPO‐PEO): F98 and F127. In this work, we report a systematic physico‐chemical characterization of such surfactant‐polymer templates. The idea of electrostatic interaction is conceived from electrokinetic/zeta potential (ζ) variation as a function of different polymers used in the surfactant‐polymer template. ζ value highlighted the plausible adsorbed potential at shear plane of PCC resulting in the varied structural changes which are evidently been supported by microscopic findings. Further, the thermal study provided quantitative and qualitative information of the decomposition due to mass loss. In addition, molecular simulations were performed to correlate the nano‐scale morphology changes occurring in PCC using Density Functional Theory (DFT)/B3LYP with basis set 3–21G method.