Structural parameters of raw and pre-treated viscose, modal and lyocell fibres were determined using X-ray diffraction, and compared with data obtained from iodine adsorption and tenacity measurements. A good correlation was found between iodine adsorption and structural changes. These structural parameters are correlated with surface thermodynamic parameters obtained by surface tension experim...

the main goal of this study is to investigate the capability of zeolites a and p synthesized from iranian natural clinoptilolite for uranium uptak. the removal of uranium(vi) from aqueous solution via ion exchange by zeolites in a single component system with various contact times,  temperatures and initial concentrations of uranium(vi) was investigated. the experimental results were fitted to ...

mehg and total mercury concentrations were determined in the muscle tissues of four fish species (cyprinus carpio, rutilus frisii, carassius auratus and esox lucius) from anzali wetland (guilan, iran). fish with the highest amount of mehg was selected to determine the thermodynamic parameters of mehg extraction. the extractions process was performed in the range of temperatures 331.15 to 367.15...

solubility of hydrocarbons in water is important due to ecological concerns and new restrictions on the existence of organic pollutants in water streams. also, the creation of a thermodynamic model has required an advanced study of the phase equilibrium between water (as a basis for the widest spread muds and amines) and gas hydrocarbon phases in wide temperature and pressure ranges. therefore,...

some new symmetrical tetraaza schiff base ligands containing 2-quinolinecarboxaldehyde moiety formed from condensation reaction of 2-quinolinecarboxaldehyde and o-phenylenediamine derivatives, such as n, nˊ-bis(2-quinolylmethylidene)-4-methoxy-1, 2-phenylenediimine (l1), n, nˊ-bis(2-quinolylmethylidene)-4-methy-1, 2-phenylenediimine (l2), n, nˊ-bis(2-quinolylmethylidene)-4-chloro-1, 2-phenylene...

A study of the [C6 H6 Ir(PH3 )3 ]+ iridatropylium cation structure based on frontier orbital analysis, thermodynamic analysis, and natural bond orbital (NBO) theory is the main aim of the present research. Also, HOMO, LUMO energies, hardness, electrophilicity and chemical potential were calculated. Structural analysis indicated the optimized geometry shows a good agreement with the experimental...

The thermodynamic functions such as enthalpy (H), Gibbs free energy (G) and entropy (S) ofPyrazole was theoretically studied at 5 different temperatures 25, 30, 35, 40 and 45°C by usingGussian o3, software. First, the structural optimization of isolated Pyrazole was done in the gas phaseby appling the Density Functional Theory (B3LYP) level with 3-21G, 6-31G and 6-31+G(d) basissets. Moreover, v...

In this research 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) were attached with different nano structures of fullerene with 20, 24 and 60 carbons producing nano structures with diverse molecular weights. Then by the use of density functional theory methods, thermodynamic parameters of TATB with foregoing nanostructures, in wide of temperature, between 300-400 ºK were computed. To this purpo...

The structural, electronic, and thermodynamic properties of ammonia-borane complexes with varying amounts of hydrogen have been characterized by first principles calculations within density functional theory. The calculated structural parameters and thermodynamic functions (free energy, enthalpy and entropy) were found to be in good agreement with experimental and quantum chemistry data for the...