ChemInform Saint Petersburg CISP Ltd.

Saint Petersburg, Russia

ChemInform Saint Petersburg CISP Ltd.

Saint Petersburg, Russia
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Wang S.-Y.,Nanjing University of Science and Technology | Kossoy A.A.,ChemInform Saint Petersburg CISP Ltd. | Yao Y.-D.,Nanjing University of Science and Technology | Chen L.-P.,Nanjing University of Science and Technology | Chen W.-H.,Nanjing University of Science and Technology
Thermochimica Acta | Year: 2017

To evaluate thermal hazards of benzaldehyde oxime (BO), dynamic experiments were carried out by differential scanning calorimeter (DSC) to obtain thermodynamic parameters. A kinetic model was evaluated by fitting experimental curves. Finally, thermal behaviors under isothermal, adiabatic and conditions of limited intensity of heat exchange were simulated. The results indicate that BO decomposes rapidly in liquid phase, and releases a large amount of thermal energy. The reaction model of full autocatalysis has been created comprising two parallel stages: initiation stage of the n-order type, and the autocatalytic stage. Contribution of the two stages are also presented. Simulation results demonstrate low stability of BO in liquid phase, it decomposes at low temperature right above melting and results in thermal explosion even for a small container. Estimation of time to maximum rate (TMRad) demonstrates the operational temperature should not be higher than 42 °C during production and usage. © 2017 Elsevier B.V.

Kossoy A.A.,ChemInform Saint Petersburg CISP Ltd. | Singh J.,HEL Ltd | Koludarova E.Y.,ChemInform Saint Petersburg CISP Ltd.
Journal of Loss Prevention in the Process Industries | Year: 2015

The paper represents some results of comparative analysis of the methods used for processing and interpreting data of adiabatic calorimetry as well as applying it to practical situations. Specifically two approaches are compared - approximate method based on evaluation of simplified kinetics and a more comprehensive, simulation-based method that utilizes the evaluation of more detailed kinetic models.The analysis is focused on two important types of data processing - correction of experimental results on thermal inertia (phi-factor correction) and estimation of adiabatic time to maximum rate (TMR).The most widely cited method for phi-factor correction is considered and its improvement is proposed to enable more precise prediction of the adiabatic time scale. A procedure for phi-factor correction of pressure response is also proposed. The limitations of this enhanced Fisher's method are discussed by comparison with simulation-based method. All the illustrative materials are based on real examples.As an example of application, the simplified method will be used to predict TMR and its limitations will be discussed. © 2014 Elsevier Ltd.

Kossoy A.A.,ChemInform Saint Petersburg CISP Ltd. | Belokhvostov V.M.,ChemInform Saint Petersburg CISP Ltd. | Koludarova E.Y.,ChemInform Saint Petersburg CISP Ltd.
Thermochimica Acta | Year: 2015

The advantages of simulation-based method for the SADT determination are widely recognized. Nevertheless, active introduction of this method in practice requires careful verification. The project proposed by the Federal Institute for Materials Research and Testing, BAM, pursued this very object. Decomposition of 2,2'-azobis(isobutyronitrile), AIBN, has been studied by DSC in isothermal mode and series of large-scale experiments (H1 and H4 tests) have been implemented. All these data were available for processing, simulation, and comparison with the experimentally determined SADT.This paper represents the results achieved by "ChemIinform" Ltd. Firstly the formal kinetic model has been created that provided appropriate fit of calorimetric data. Then this model was used for simulation of the conditions of H1 and H4 experiments. The results demonstrate good correspondence with experimental data.The materials presented show the potential of the simulation-based method as very useful addition to the methods recommended by international regulations.The CISP TSS software was used for implementing all the steps of the study. © 2015 Elsevier B.V.

Kossoy A.,ChemInform Saint Petersburg CISP Ltd. | Sheinman I.,ChemInform Saint Petersburg CISP Ltd.
Thermochimica Acta | Year: 2010

The thermal behavior of sample cells (bombs) of the ARC and VSP adiabatic calorimeters has been investigated by applying mathematical simulation. Influence of temperature gradient in a calorimetric bomb on the inaccuracy of kinetic parameters evaluated from adiabatic data has been analyzed. Then possible errors in kinetics-based predictions caused by the inaccuracy of kinetic parameters were identified by the example of two important hazard indicators - adiabatic time to maximum rate, TMR, and the self-accelerating decomposition temperature, SADT. A new control method for maintaining sample adiabaticity is proposed that provides obtaining the most correct experimental data suitable for creation of reliable kinetics. © 2010 Elsevier B.V. All rights reserved.

Kossoy R.A.,ChemInform Saint Petersburg CISP Ltd. | Akhmetshin Y.G.,ChemInform Saint Petersburg CISP Ltd.
Process Safety and Environmental Protection | Year: 2012

Safety of chemical processes and plants is a matter of high priority. The design of an inherently safer process is one of very beneficial ways of achieving this goal. The paper describes the method of designing an inherently safer process for a chosen set of equipment and materials involved by applying non-linear optimization. The optimization is aimed at finding an operational mode, which guarantees safety of the process under normal conditions and provides maximal attainable safety in case of one typical accident scenario - cooling failure. Discussion covers problem statement, choice of the optimization criteria, appropriate methods for defining control variables. An important practical challenge is stability analysis of the optimized process mode with respect to permissible deviations of control parameters and variables from the estimated values. The original method for the stability analysis of a non-stationary process is proposed. It comprises simplified preliminary evaluation method followed by the more detailed numerical optimization-based analysis. Several examples illustrate application of the methods proposed. © 2012 The Institution of Chemical Engineers.

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