Prediction of thermal hazards of chemical reactions

Grewer, Theodor; Frurip, D. J.; Harrison, B. Keith

doi:10.1016/s0950-4230(99)00011-x

Cited by 48 publications

(47 citation statements)

References 3 publications

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“…So, the comprehension of their thermal stability properties is very important in order to evaluate not only their explosive power, but also the related hazards during storage, transportation and handling [1]. Indeed, many reported (industrial) accidents have been caused by the lack of knowledge about decomposition process [2], particularly those concerning nitro compounds [3].…”

Section: Introductionmentioning

confidence: 99%

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Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanisms

et al. 2010

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Section: Introductionmentioning

confidence: 99%

“…A typical experimental screening test is the differential scanning calorimetry (DSC) [1,[4][5][6], which provides heats of decomposition with an error of about 5-10% [7].…”

Section: Introductionmentioning

confidence: 99%

Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanisms

et al. 2010

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“…It is of interest to quantitatively characterize the potential hazard of the main chemical reaction before starting the reactor sensitivity analysis. Some reaction risk indices under adiabatic conditions are presented by Maria and Stefan 2 (for an extensive discussion see 7,25 ). The very exothermic reaction leads to a temperature rise under adiabatic conditions of 26 of 697.95 K, which largely outruns the limit of 50 K recommended for out-of-risk primary reactions.…”

Section: )mentioning

confidence: 99%

“…The very exothermic reaction leads to a temperature rise under adiabatic conditions of 26 of 697.95 K, which largely outruns the limit of 50 K recommended for out-of-risk primary reactions. 25 The resulting temperature increase 0 max…”

Section: )mentioning

confidence: 99%

“…One rough measure of reaction hazard is given by the reaction violence index B = DT ad E R g -1 T 0 -2 , 25 where ∆T ad is the temperature rise under adiabatic conditions; E is the activation energy, and T 0 is the inlet temperature. For dangerous reactions, the reaction violence index B is larger than the threshold B = 5, especially for catalysts exhibiting high activation energies (as in the studied case) 25 .…”

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confidence: 99%

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Derivation of Pareto Optimal Operating Policies Based on Safety Indices for a Catalytic Multi-tubular Reactor Used for Nitrobenzene Hydrogenation

Maria

Khwayyir

Dinculescu

2016

Chem.Biochem.Eng.Q.

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When highly exothermic/hazardous reactions are conducted in the presence of parametric uncertainty, derivation of optimal operating policies for a chemical reactor has to simultaneously consider several objectives of sustainability. The paper uses an original methodology to generate the Pareto optimal solutions when reactor productivity and safety objectives (expressed in probabilistic terms) are simultaneously considered using the process and reactor model in a simple way, in the presence of technological constraints, uncertainty in safety boundaries, and random fluctuations in control variables. An example is provided for the industrial fixed-bed tubular reactor used for the catalytic hydrogenation of nitrobenzene to aniline in vapour-phase.

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Sustainable Development and Chemistry

Eissen¹,

Hungerbühler²,

Metzger³

et al. 2004

Kirk-Othmer Encyclopedia of Chemical Technology

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The United Nations Conference on Environment and Development (UNCED), held in Rio de Janeiro in 1992, provided the fundamental principles (Rio Declaration) and the program of action (Agenda 21) for achieving sustainable development. Sustainable chemistry is understood as the contribution of chemistry to the implementation of the Rio Declaration and Agenda 21. The conservation and management of resources for development are the main focus of interest, where chemistry will have to make a considerable contribution by more efficient and environmentally more benign chemical processes by the following: providing chemical products that are environmentally more benign and that allow us to enhance significantly the efficiency of production processes in other industrial areas combined with minor environmental impact and allowing the consumer to use resources more effectively. Innovations are investigated exemplarily for a sustainable development with regard to their ecological, economical, and social dimensions from an integrated and interdisciplinary perspective. Since base chemicals are produced in large quantities and important product lines are synthesized from them, their resource‐saving production is especially important for a sustainable development. In the long run, renewable resources that are catalytically processed could replace fossil raw materials. Separation methods existing today must be improved considerably to lower material and energy consumption. Chemistry might become the pioneer of an innovative energy technique. The design of chemical products should make possible a sustainable processing and recycling and should prevent their bioaccumulation. Methods and criteria to assess their contribution to a sustainable development are necessary. The time taken to introduce the new more sustainable processes and products has to be diminished by linking their development with operational innovation management and with efficient environmental–political control procedures.

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Prediction of thermal hazards of chemical reactions

Cited by 48 publications

References 3 publications

Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanisms

Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanisms

Derivation of Pareto Optimal Operating Policies Based on Safety Indices for a Catalytic Multi-tubular Reactor Used for Nitrobenzene Hydrogenation

Sustainable Development and Chemistry

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