Abstract
In this research work, we have firstly synthesized the sulfonated polyvinyl chloride cation exchanger based on local raw materials. It was firstly created syntheses methodology of the sulfonated polyvinyl chloride cation exchanger and determined syntheses reaction parameters. It was first investigated that thermodynamics of synthesized the sulfonated polyvinyl chloride cation exchanger: kinetics, sorption isotherms, change of thermodynamics function (Gibbs energy, Entropy, and Entalpy). DFT calculation of synthesized the sulfonated polyvinyl chloride cation exchanger: energy difference between LUMO and HOMO molecular orbitals, Chemical Hardness (η), Electronegativity (χ), Electronic chemical potential (μ), Global electrophilicity Index (ω) and Chemical Softness (s) were firstly computed. We have used thermodynamic methods in doing thermodynamics research. The Frontier molecular orbital method was used on doing DFT calculation by 6-311G (d,p) basis set. These firstly synthesized the sulfonated polyvinyl chloride cation exchanger based on local raw materials is very cheap and effective; it will be used in the chemical industry for softening or cleaning waste water from Ca2+ or Mg2+ ions and different heavy ions. Electrochemical impedance measurements show that the quasi-substitution process has become between Mg+2 and Ca+2 ions and Na+ on the sulfonated polyvinyl chloride cation exchanger in the result of which growth of charge transfer and dielectric constant of mediums. Investigating thermodynamic parameters of this compound will be used for some purposes: a deep understanding of the thermodynamics of sorption processes and using determined thermodynamics in real production processes of water softened materials. DFT calculation investigating gives a deep understanding of how thermodynamics properties can depend on the molecular structure of water softened polymer materials.
Highlights
One of the urgent problems of environmental protection is the treatment and reuse of industrial wastewater from oil and gas processing
In high concentration Nyquist plots single semicircle is larger than lower concentration because increase a number of polymer molecules can growth sorption capacity of solution. These results show this sulfonated polyvinyl chloride cation exchanger is high capacity adsorbed for Ca+2 ions
Sulfonated polyvinyl chloride cation exchanger was firstly synthesized based on local low cost product: plastic polyvinyl chloride, powdered sulfur and sulfurcontaining compounds
Summary
One of the urgent problems of environmental protection is the treatment and reuse of industrial wastewater from oil and gas processing. Nowadays used wastewater recycling technology is very expensive, require high cost technological equipment, and someone is danger for environment The use these kinds of technology for under developed countries are economically difficult [1,2,3]. Nowadays water used triple than past, many factors polluted water with danger chemicals and growth numbers of people around world are seriously problems, according to UNEP information. Hydrocarbon waste in the composition of waste water seriously affects the human body, animals, plants, and destroys the ecological balance, according to World Health Organization. To carry out these vital problems, in recent years, researchers have been paying more and more attention to creating the recycling methods for industrial wastewater. Some scientists suggest that the precipitation, electrolysis, filtration, sorption, biosorption methods is more efficient [6,7,8]
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