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03336 CHARACTERIZATION, ISOLATION AND PERFORMANCE CHARACTERISTICS OF IMIDAZOLINES. PART II. DEVELOPMENT OF STRUCTURE- ACTIVITY RELATIONSHIPS

Picture for 03336 CHARACTERIZATION, ISOLATION AND PERFORMANCE
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Product Number: 51300-03336-SG
ISBN: 03336 2003 CP
Author: W. H. Durnie, M. A. Gough
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Imidazolines have been used in the area of corrosion inhibition since at least the mid 1940's when it was shown that long chain organic compounds with polar functional groups had corrosion inhibition properties when applied to oil-field environments. Part I. of this paper reported the synthesis, separation/isolation and performance characteristics of various imidazoline species synthesised from oleic acid (OA) and diethylenetriamine (DETA). These techniques have been employed in order to yield relatively 'pure' imidazolines for more detailed study. This paper presents the preliminary results of performance prediction calculations of various imidazoline species made using a previously developed semi-empirical QSAR prediction model. The data was then 're-modelled' with the new compounds to increase the base set of data the model draws on. As in the previous study, corrosion rate data for mild steel corrosion inhibitors in carbonated brine media have been fitted to the Temkin adsorption isotherm. This study indicates that the models, even at this early stage, are capable of approximating performance of structurally similar imidazolines, although not refined enough to differentiate the effect of slight structural changes. Ideally, experimental and predicted concentrations required to give a specific performance would be equal, although, considering areas of possible error and the limited sample size still involved, this approach provides a promising approach to the prediction of corrosion inhibition efficiency.
Imidazolines have been used in the area of corrosion inhibition since at least the mid 1940's when it was shown that long chain organic compounds with polar functional groups had corrosion inhibition properties when applied to oil-field environments. Part I. of this paper reported the synthesis, separation/isolation and performance characteristics of various imidazoline species synthesised from oleic acid (OA) and diethylenetriamine (DETA). These techniques have been employed in order to yield relatively 'pure' imidazolines for more detailed study. This paper presents the preliminary results of performance prediction calculations of various imidazoline species made using a previously developed semi-empirical QSAR prediction model. The data was then 're-modelled' with the new compounds to increase the base set of data the model draws on. As in the previous study, corrosion rate data for mild steel corrosion inhibitors in carbonated brine media have been fitted to the Temkin adsorption isotherm. This study indicates that the models, even at this early stage, are capable of approximating performance of structurally similar imidazolines, although not refined enough to differentiate the effect of slight structural changes. Ideally, experimental and predicted concentrations required to give a specific performance would be equal, although, considering areas of possible error and the limited sample size still involved, this approach provides a promising approach to the prediction of corrosion inhibition efficiency.
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