QUANTUM CHEMISTRY STUDIES OF ORGANOPHOSPHORUS CORROSION INHIBITORS

J Chin Soc Corr Pro

2002, Vol. 22

Issue (4): 217-220 DOI:

Research Report

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QUANTUM CHEMISTRY STUDIES OF ORGANOPHOSPHORUS CORROSION INHIBITORS

Wei Zhao;Mingzhu Xia;Wu Lei

南京理工大学水处理研究所

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Abstract Some quantum chemical parameters of triphenylphosph ine,tetraphenylphosphonium chloride,chlormethyltriphenylphosphonium chloride and benzyltriphenylphosphonium were obtained by means of PM3 semi-empirical quantum chemical calculation method of MOPAC 6.0 programs package.It is found that the rates of these corrosion inhibitors have a certain relation to the electron dens ity of phosphorus atom of molecular and π electron on aromatic ring.The possibl e mechanism of inhibition was also been discussed building on the interaction be tween ion and inhibitors.

Key words: organophosphorus corrosion inhibitors PM3 quantum chemical method

Received: 11 September 2001

ZTFLH:

TG174.42

Corresponding Authors: Wei Zhao

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Wei Zhao; Mingzhu Xia; Wu Lei. QUANTUM CHEMISTRY STUDIES OF ORGANOPHOSPHORUS CORROSION INHIBITORS. J Chin Soc Corr Pro, 2002, 22(4): 217-220 .

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https://www.jcscp.org/EN/ OR https://www.jcscp.org/EN/Y2002/V22/I4/217

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