GLOBAL ATTENTION TO WATER POLLUTION FROM HARMFUL CHEMICALS HAS INCREASED IN RECENT DECADES.MANY KINDS OF POLLUTANTS HAVE BEEN DISCOVERED IN AQUATIC ENVIRONMENTS SUCH AS RIVERS, PONDS AND SEAS. VARIOUS MONO AND POLYCYCLIC AROMATIC COMPOUNDS HAVE BEEN FOUND IN AQUATIC ENVIRONMENTS. POLYCYCLIC AROMATIC HYDROCARBONS (PAHS) ARE UBIQUITOUS ENVIRONMENTAL CONTAMINANTS THAT ARE FORMED BY THE INCOMPLETE COMBUSTION OF ORGANIC MATERIALS, SUCH AS WOOD OR FOSSIL FUELS.1 PAHS ARE OF CONCERN BECAUSE MANY OF THEM ARE TOXIC, CARCINOGENIC, AND THEY TEND TO BIOACCUMULATE IN AQUATIC ORGANISMS.2 IN THIS STUDY THE REMOVAL OF PAHS FROM SIMULATED AND REAL WASTEWATER USING TWO POLYMERS BASED ADSORBENT (POLYMER1 AND POLYMER 2) HAS BEEN INVESTIGATED UNDER SPECIFIC EXPERIMENTAL CONDITIONS IN BATCH MODE. WE HAVE SYNTHESIZED A POLYMER BASED ADSORBENT IN ORDER TO DEVELOP AN EFFECTIVE PROCESS TO REMOVAL OF NAPHTHALENE, ACENAPHTHYLENE AND PHENANTHRENE FROM SIMULATED AND REAL WASTEWATER IN BATCH REACTOR. THE ADSORPTION ISOTHERM OF THE ADSORBENTS IN SINGLE AND TERNARY SOLUTION, ADSORPTION KINETICS, AND POTENTIAL OF THE ADSORBENTS IN THE REMOVAL OF PAHS FROM SYNTHETIC AND REAL WASTEWATER WERE INVESTIGATED. FREUNDLICH MODEL AND LANGMUIR MODEL WERE USED TO STUDY THE ADSORPTION ISOTHERMS IN SINGLE ADSORPTION SYSTEM. THE ADSORPTION PROCESS OF SELECTED PAHS ADSORBATES ON THE POLYMER1 AND POLYMER 2 WERE WELL DESCRIBED BY THE LANGMUIR EQUATION.THE EQUILIBRIUM CAN BE ESTABLISHED RAPIDLY AND WITHIN 45 MINUTES. THE ADSORPTION EXPERIMENT RESULTS ON SIMULATED AND REAL WASTEWATERS PROVED THAT SYNTHESIZED POLYMERIC ADSORBENT COULD TO BE A HIGHLY EFFICIENT ADSORBENTS AND COULD BE EASILY USED FOR THE RAPIDLY REMOVAL OF PAHS FROM DILUTE REFINERY EFFLUENTS.

IN THIS WORK, THE AROMATICITY OF SILA-IRIDABENZENES (FIGURE 1) WAS INVESTIGATED BY MODIFIED PERDEW-WANG EXCHANGE AND CORRELATION (MPW1PW91) METHOD. THE CALCULATIONS OF SYSTEMS CONTAIN C, P, H AND SI DESCRIBED BY THE STANDARD 6-311++G(D,P) BASIS SET. FOR IR ELEMENT STANDARD LANL2DZ BASIS SET ARE USED AND IRON DESCRIBED BY EFFECTIVE CORE POTENTIAL (ECP) OF WADT AND HAY PSEUDOPOTENTIAL WITH A DOUBLET- VALANCE USING THE LANL2DZ. BASIC MEASURES OF AROMATIC CHARACTER DERIVED FROM STRUCTURE, MOLECULAR ORBITAL AND CHEMICAL SHIFT. ENERGETIC CRITERIA SUGGEST THAT ORTHO-ISOMER ENJOYS CONSPICUOUS STABILIZATION. THE MAXIMUM HARDNESS PRINCIPLE AND MINIMUM POLARIZABIITY ARE COMPATIBLE WITH THIS STABILITY. NUCLEUS INDEPENDENT CHEMICAL SHIFT VALUES WERE USED FOR INVESTIGATION OF AROMATICITY IN THESE MOLECULES. THESE CALCULATIONS SHOW THE HIGHEST ABSOLUTE VALUE OF NICS IS 1.0 Å ABOVE THE CENTER OF THE RING. IT IS POSSIBLE THAT INDUCED MAGNETIC FIELDS GENERATED BY THE -AROMATICITY INDICATE A MINIMUM NICS AT THE CERTAIN DISTANCE FROM THE CENTER OF THE RING. THE META-ISOMER HAS THE MOST NEGATIVE VALUE OF NICS.

Recently, the ability of weeds in phytoremediation of various POLLUTANTs such as pesticides, heavy metals, pharmaceutical and health POLLUTANTs, and oil POLLUTANTs from the environment has been considered as a potential ability. The results of various studies showed that the different ability of weeds belonging to different plant families in the biological purification of various POLLUTANTs from water and soil environments. Weeds can be used in different environments for purifying soil and polluted water due to their fast growth, high adaptability and ability to absorb different elements. In addition, the use of plant extracts or green nanoparticles based on weed plants can also be considered as a potential ability to remove POLLUTANTs with the help of biological materials. Although weeds are in conflict with human activities in various aspects, the use of weeds can be effective in improving environmental conditions by removing POLLUTANTs. Weeds absorb POLLUTANTs directly or indirectly with root exudates or production proper conditions for microorganism activity led to the decomposition of POLLUTANTs.

INTRODUCTION: THE IMPORTANCE OF THE AROMATIC COMPOUNDS IN THE MANY CHEMICAL AREAS IS NOT HIDDEN TO ANYONE. THE AROMATICITY IS THE EFFECT OF RING CURRENT INDUCED IN THE DELOCALIZED Π ELECTRONS OF THE AROMATIC RING [1-3]. AS CONSEQUENCE OF AMPÈRE'S LAW, THE DELOCALIZED ELECTRONS CREATE A STRONG MAGNETIC FIELD [4].AROMATICITY IS ONE OF THE FEATURES WHICH CONTROLS THE STABILITY AND REACTIVITY OF UNSATURATED CYCLIC AND POLYCYCLIC COMPOUNDS AND HAS A KEY ROLE IN MANY REACTIONS WHICH OCCUR IN THE BIOLOGICAL SYSTEMS BECAUSE OF HIGH STABILITY, LOW REACTIVITY AND SUSTAINED INDUCED RING CURRENT IMPLY TO HIGH AROMATICITY [5]. THIS IMPORTANT PROPERTY IS EVALUATED ON THE BASIS OF SOME ENERGETIC, GEOMETRIC, ELECTRONIC AND MAGNETIC CRITERIA. NUCLEUS INDEPENDENT CHEMICAL SHIFT (NICS) IS ONE OF THE MOST FAMOUS CRITERION WHICH IS USED TO INTERPRET AROMATICITY [6]. THE AIM OF THIS RESEARCH IS TO STUDY THE MAGNETIC FIELD IN ALL SITUATIONS OF TWO C14H14 AND C18H18 AROMATIC ANNULENE COMPOUNDS. FOR THIS REASON THE INDUCED MAGNETIC FIELD IN THESE MOLECULES WERE CALCULATED BY NICS METHOD.