Less toxic corrosion inhibitors are being developed using computer aided molecular design techniques. Structures of known inhibitors are modified based on the relationships established between structure and toxicity of organic compounds to reduce the toxicity. Inhibition is then correlated to the computer simulated surface inhibitor heat of interaction. A program is being developed to test the theoretical predictions experimentally.

Subject
Acids, Chemical compounds, Water, Materials, Correlation, Metal surfaces, Toxicity, Adsorption, Structures, Molecular structure, Chemical inhibition, Heat, Corrosion inhibitors
Keywords:
Corrosion Inhibitors, Toxicity, Oilpipes, Computational Calculations, LC50
© 1995 Association for Materials Protection and Performance (AMPP). All rights reserved. No part of this publication may be reproduced, stored in a retrieval system, or transmitted, in any form or by any means (electronic, mechanical, photocopying, recording, or otherwise) without the prior written permission of AMPP. Positions and opinions advanced in this work are those of the author(s) and not necessarily those of AMPP. Responsibility for the content of the work lies solely with the author(s).
1995
Association for Materials Protection and Performance (AMPP)
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