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GREY THEORY STUDY ON INHIBITION OF COMPOUNDS OFBENZENE NITRILES TO CARBON STEEL IN CHLORHYDRIC ACID |
Xuejun Xie;Shunan Cao;Junfeng Liu |
武汉大学化学与分子科学学院 |
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Abstract The relations between inhibition efficiency of carb on steel in hydrochloric acid and molecular structure of compounds of benzene ni t riles were studied by constructing the grey inhibition model of inhibition syste m.Benzene nitriles studied included parent benzene nitriles(cinnamonitrile,benzo nitrile,benzeneacetonitrile,isopropyl benzeneacetonitrile) and para-chloro ben zene nitriles(para-chloro cinnamonitrile,para-chloro benzonitrile,para-chloro be nzeneacetonitrile,para-chloroisopropyl benzeneacetonitrile).Results showed that the relations between inhibition efficiency of carbon steel in hydrochloric acid and molecular structure of compounds of benzene nitriles could be expressed by GM(0,3).The expressions of GM(0,3) were η(1)1=04640E(1) LUMO-32777σ(1)N+04683(for parent benzene nitriles) and η (1)Ⅱ=01256E(1)LUMO-73096σ(1)N-00759(for pa ra-chloro benzene nitriles).The expressions of GM(0,3) described the relations b etween inhibition efficiency of carbon steel in hydrochloric acid and molecular s tructure of compounds of benzene nitriles.Inhibition efficiency of compounds of benzene nitriles to carbon steel in hydrochloric acid mainly related to σ N and ELUMO,and the more the σN (absolute value) and the less t he ELUMO,the more the inhibition efficiency.
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Received: 06 August 2001
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Corresponding Authors:
Xuejun Xie
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