in this work, zncao2 (zinc oxide-calcium oxide) nanocomposite were synthesized at different temperatures (500-700°c) by sol-gel method based on polymeric network of polyvinyl alcohol (pva). the synthesized samples were characterized by sem/edax, ft-ir and xrd techniques. it was found that synthesized nanocomposites have 1.62, 2.05 and 13.91%wt of cao, respectively. the obtained results show tha...

Electronic structure and molecular dynamics calculations were performed on the reaction systems O((3)P) + sarin and O((3)P) + dimethyl methylphosphonate (DMMP), a sarin simulant. Transition state geometries, energies, and heats of reaction for the major reaction pathways were determined at several levels of theory, including AM1, B3LYP/6-311+G(d,p), and CBS-QB3. The major reaction pathways for ...

A number of recent terrorist attacks make it clear that rapid response, high sensitivity and stability are essential in the development chemical sensors for detection warfare agents. Nerve agent sarin [2-(fluoro-methyl-phosphoryl) oxypropane] is an organophosphate (OP) compound recognized as one most toxic Considering sarin’s toxicity, being odorless colorless, dimethyl methylphosphonate (DMMP)...

2-phosphonobutane-1,2,4-tricarboxylic acid is(pbtc) a member of phosphonate family, and used as corrosion and scale inhibitor in cooling water systems. phosphonocarboxylates as a member of organophosphorus compounds have c-p and p-o bonds in their structures. pbtc is mainly used as carbonate scale inhibitor (caco3), sulphate scale inhibitor (caso4), corrosion inhibitor of low alloyed steel, eff...

Dimethyl methylphosphonate (DMMP) is a widely used chemical. Diethyl ethylphosphonate (DEEP) has been proposed as a replacement for DMMP in several applications. A long-term carcinogenesis study with DMMP in rats and mice showed a significant increase in the incidence of kidney tumors after 2 years of exposure in male but not in female rats and both sexes of mice. DMMP is not genotoxic. Due to ...

The fundamental interactions of dimethyl methylphosphonate (DMMP) and dimethyl chlorophosphate (DMCP) on amorphous silica nanoparticles have been investigated with transmission infrared spectroscopy and temperature-programmed desorption (TPD). DMMP and DMCP both adsorb molecularly to silica through the formation of hydrogen bonds between isolated silanols and the phosphoryl oxygen of the adsorb...

A commercially available poly(vinyl butyral) (PVB) coating was modified using a combination of 1–10wt.% bis(trimethoxysilylethyl)benzene and dibutyltin dilaurate as the hydrolysis catalyst. Results of attenuated total reflectance (ATR)–FTIR analysis indicated the modification resulted in a hybrid coating material containing silicate moieties covalently bonded to the PVB polymer chains. Gravimet...

The interaction between propranolol (PROP) and human serum albumin (HSA) was studied in the presence of dimethyl methylphosphonate (DMMP). DMMP is usually considered as a simulant for chemical warfare agents (CWAs). For this purpose fluorescence quenching, resonance light scattering (RLS), synchronous, three-dimensional fluorescence spectroscopy and molecular dynamics (MD) simulation were emplo...