Theoretical study of some methyl and fluoride derivatives of bis-piperidiniummethyl-thiourea as corrosion inhibitors

Author(s): M.Oftadeh, M.Geramirad, A.Teymouri

Density functional theory is situated within the evolution of quantum chemistry as a facilitator of computations and a provider of new chemical insights. Various electronic reactivity indices related to ñ (r), such as Fukui function (FF), condensed Fukui function (CFF) and dual descriptor (DD) have been identified. Some methyl and fluoride derivatives of Bis-piperidiniummethyl-thiourea (BPMTU) as like as urea derivatives compounds can be designed as corrosion inhibitors and they were studied in the present work.We obtained a correlation relationship related to these novel compounds to predict inhibition of efficiency against the corrosion of mild steel in hydrochloric acid solution. The reactive sites with negative and positive dual descriptor were determined for eachmolecule. The calculations showed that several parameters as a nonlinear relationship are taken into account to characterize the inhibition activity of the designated compounds.

Share this       
eutics.com | 523: Origin is unreachable

Error 523 Ray ID: 4e943f49afa3cab4 • 2019-06-19 08:49:00 UTC

Origin is unreachable








What happened?

The origin web server is not reachable.

What can I do?

If you're a visitor of this website:

Please try again in a few minutes.

If you're the owner of this website:

Check your DNS Settings. A 523 error means that Cloudflare could not reach your host web server. The most common cause is that your DNS settings are incorrect. Please contact your hosting provider to confirm your origin IP and then make sure the correct IP is listed for your A record in your Cloudflare DNS Settings page. Additional troubleshooting information here.