About a chemical computational approach to the design of green inhibitors
Conference
·
OSTI ID:106067
- Texas A and M Univ., College Station, TX (United States). Dept. of Chemistry
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.
- OSTI ID:
- 106067
- Report Number(s):
- CONF-950304--
- Country of Publication:
- United States
- Language:
- English
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