Abstract
AbstractThis paper aims to present the recent results progress on diaminododecylphosphonic acid (DADTMTPA) as an extractant of cerium (III) from Ce(NO3)3.6H2O solution medium. Different parameters including pH, temperature, extractant concentration, and foreign ions present in the aqueous phase were examined to investigate the extractional mechanism. The optimum conditions of solvent extraction of Ce(III) are as follows: under experimental conditions of 298 K and the initial concentration of Ce(III) being kept at 10−4 M at pH 3.50. The agitation duration of 5 min for a volume ratio equal to 2, and the best yield is 77 % in one‐step. An increase in the temperature reduced the extraction process. The DADTMTPA extracts Ce(III) after the second cycle with a yield of 95 %. The extraction thermodynamic parameters such as ΔG, ΔH and ΔS are also determined and reported. On the other hand, density functional theory (DFT) based on B97D3 functional with 6‐311++G(d,p) basis set analysis and molecular dynamics simulations were used to extremely fast methods at calculating the non‐bonded interactions and to understand its properties of molecular interactions, which have proved to be an adopted and useful tool to predict and describe the chemical behavior of the evolution of the system.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.