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Prediction of Flammability Hazard Properties of Chemical Mixtures using Computerized Tools

Fidatul Akmar binti Mat Shoib, Fidatul Akmar (2011) Prediction of Flammability Hazard Properties of Chemical Mixtures using Computerized Tools. Universiti Teknologi Petronas, Sri Iskandar,Tronoh,Perak. (Unpublished)

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Abstract

Fire and explosions are the dominant hazards in many industry sectors, especially oil and gas. The management and control of such hazards is becoming increasingly important from human, economic, environmental and legislative view points. One of the important elements in the action is the hazard evaluation which involves the prediction of the chemical’s properties which is flammability properties. Therefore, the objective of this project is to predict the flammability hazards properties using Quantitative Structure Activity Relationship (QSAR). This covers the prediction of Upper Flammability Limit (UFL), Lower Flammability Limit (LFL), Limiting Oxygen Concentration (LOC), Auto Ignition Temperature (AIT) and Flash Point (FP). QSAR models have been developed by using MATLAB software (version 7.8.0.347) to estimate the flammability properties. The results from the developed models were validated with other data obtained from experimental work and published literature to confirm the accuracy of the developed models. Furthermore, the accuracies of the developed models were compared with other QSAR models, which have been developed by other researchers. The results showed that the accuracies of the proposed models are the highest among other available models which are 99.63% accuracy for UFL, 99.68% accuracy for LFL, 91.5% accuracy for LOC, 99.16% accuracy for AIT and 98.42% accuracy for FP. A number of benefits can be achieved if a computerized approach for hazard evaluation of chemical substances could be demonstrated. Substantial savings in time and cost could be realized in evaluating the hazard potential of new chemicals. Furthermore, it will give more accurate data and all of the predicted values for each property will then be used in the prepared spreadsheet in order to predict the properties of the mixtures.

Item Type: Final Year Project
Subject: T Technology > TP Chemical technology
Divisions: ?? sch_che ??
Depositing User: Users 5 not found.
Date Deposited: 11 Jan 2012 12:23
Last Modified: 19 Jan 2017 15:45
URI: http://utpedia.utp.edu.my/id/eprint/423

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