Materiały pomocnicze

W kolejnych elementach systemu przeciwdziałania poważnym awariom przemysłowym i ograniczania ich skutków istotną rolę odgrywa ocena i analiza ryzyka stwarzanego przez substancje niebezpieczne (nadtlenki organiczne), obecne w zakładzie lub mogące powstać w trakcie poważnej awarii. Nie ma ustalonych jednolitych przepisów, obowiązujących prawnie, określających, które z metod szacowania ryzyka mogą być stosowane w odniesieniu do procedur poważnoawaryjnych, dlatego ważnym czynnikiem mogącym mieć wpływ na określenie i ocenę ryzyka w zakładzie jest dostęp do nowych metod, zmian i modyfikacji istniejących oraz badań publikowanych w czasopismach międzynarodowych. Mając na uwadze cel zadania, przygotowano autorski przegląd najnowszej i starszej literatury, która może zostać wykorzystana w tym celu w odniesieniu do nadtlenków organicznych. Podczas analizy publikacji skupiono się wybraniu pozycji szczególnie odnoszących się do modeli numerycznych pozwalających na symulacje skutków zdarzeń z udziałem nadtlenków.

Artykuły naukowe

Metody numeryczne

• Lu, Y., Ng, D., & Mannan, M. S. 2011. Prediction of the reactivity hazards for organic peroxides using the QSPR approach. Ind. Eng. Chem. Res. 50(3), 1515-1522
• Patlewicz G., Chen M.W., Bellin C.A., 2011. Non-testing approaches under REACH –help or hindrance? Perspectives from a practitioner within industry, SAR QSAR Environ. Res. 22, 67–88
• Quintero F.A., Patel S.J., Mu˜noz F., Sam Mannan M., 2012. Review of existing QSAR/QSPR models developed for properties used in hazardous chemicals classification system, Ind. Eng. Chem. Res. 51, 16101–16115
• Katritzky A.R., Kuanar M., Slavov S., Hall C.D., Karelson M., Kahn I., Dobchev D.A., 2010. Quantitative correlation of physical and chemical properties with chemical structure: utility for prediction, Chem. Rev. 110 5714–5789

Pożar kulisty (fireball)

• Blankenhagel P., Wehrstedt K.D., Xu S., Mishra K.B., Steinbach J., 2017 A new model for organic peroxide fireballs J. Loss Prev. Process Ind. 50, 237-242
• Roberts, T., Gosse, A., Hawksworth, S., 2000. Thermal radiation from fireballs on failure of liquefied petroleum gas storage vessels. Process Saf. Environ. Prot. 78 (3), 184–192
• Dorofeev, S.B., Sidorov, V.P., Efimenko, A.A., Kochurko, A.S., Kuznetsov, M.S., Chaivanov, B.B., Matsukov, D.I., Prereverzev, A.K., Avenyan, V.A., 1995. Fireballs from deflagration and detonation of heterogeneous fuel-rich clouds. Fire Saf. J. 25, 323–336
• Satyanarayana, K., Borah, M., Rao, P.G., 1991. Prediction of thermal hazards from fireballs. J. Loss Prev. Process Ind. 4, 344–347

Pożar powierzchniowy (pool fire)

• Siddapureddy, S., Wehrstedt, K.-D., Prabhu, S.V., 2016. Heat transfer to bodies engulfed in di-tert-butyl peroxide pool fire - numerical simulations. J. Loss Prev. Process Ind. 44, 204–211
• Chun, H., Wehrstedt, K.-D., Vela, I., Schönbucher, A., 2009. Thermal radiation of di-tertbutyl peroxide pool fires - experimental investigation and CFD simulation. J. Hazard. Mater 167, 105–113
• Mudan, K.S., 1984. Thermal radiation from hydrocarbon pool fires. Prog. Energy Combust. Sci. 10, 59–80

Pożar strumieniowy (jet fire)

• Palacios, A., Munoz, M., Darbra, R.M., Casal, J., 2012. Thermal radiation from vertical jet fires. Fire Saf. J. 51, 93–101

Wybuch w ograniczonej przestrzeni (vce – vapour cloud explosion)

• Hadjipanayis, M.A., Beyrau, F., Lindstedt, R.P., Atkinson, G., Cusco, L., 2015. Thermal radiation from vapour cloud explosions. Process Saf. Environ. Prot. 94, 517–527

Wybuch ekspandującej pary z wrzącej cieczy (BLEVE)

• Eckhoff, R.K., 2014. Boiling liquid expanding vapour explosions (BLEVEs): a brief review. J. Loss Prev. Process Ind. 32, 30–43
• Abbasi, T., Abbasi, S.A., 2007. The boiling liquid expanding vapour explosion (bleve): mechanism, consequence assessment, management. J. Hazard. Mater 141, 489–519

Badania kalorymetryczne

• Sato Y., Akiyoshi M., Miyake A., Matsunaga T., 2011. Prediction of explosibility of self-reactive materials by calorimetry of a laboratory scale and thermochemicalcalculations, Sci. Tech. Energ. Mater. 72(4), 97–107
• Shen, S. J., Wu, S. H., Chi, J. H., Wang, Y. W., & Shu, C. M. 2010. Thermal explosion simulation and incompatible reaction of dicumyl peroxide by calorimetric technique. Journal of Thermal Analysis and Calorimetry, 102(2), 569-577
• Joming, T., Yingyu, Ch, Tehsheng, S., Chimin, Sh, 2007. Study of thermal decomposition of methyl ethyl ketone peroxide using DSC and simulation. J. Hazard. Mater. 142 (1), 765-770
• Malow, M., & Wehrstedt, K. D. 2005. Prediction of the self-accelerating decomposition temperature (SADT) for liquid organic peroxides from differential scanning calorimetry (DSC) measurements. Journal of Hazardous Materials, a, 120(1), 21-24
• Fisher, H. G., & Goetz, D. D. 1991. Determination of self-accelerating decomposition temperatures using the accelerating rate calorimeter. Journal of Loss Prevention in the Process Industry, 4, 305–316

Metody przewidywania (predykcji)

• Cao, H.Y., Jiang, J.C., Wang, R., Cui, Y., 2009. Prediction of the net heat of combustion of organic compounds based on atom-type electrotopological state indices. J. Loss Prev. Process Ind. 22, 222-227
• Fayet, G., Rotureau, P., Joubert, L., 2009. On the prediction of thermal stability of nitroaromatic compounds using quantum chemical calculations. J. Hazard. Mater. 171, 845–850
• Gharagheizi, F., 2008. A simple equation for prediction of net heat of combustion of pure chemicals. Chemom. Intell. Lab. Syst. 91, 177-180
• Duh, Y. S., Wu, X.H., Kao, C.S., 2008. Hazard ratings for organic peroxides. Process Saf. Prog. 27, 89–99
• Tseng, J. M., Shu, C. M., Gupta, J. P., & Lin, Y. F. 2007. Evaluation and modeling runaway reaction of methyl ethyl ketone peroxide mixed with nitric acid. Industrial & Engineering Chemistry Research, 46(25), 8738-8745
• Gang, J.K., Zhou, W.H., Ping, X.J., 2007. Brief introduce the characteristics of organic peroxide. Fine Chem. Ind. Raw Mater. Intermed. 3, 18–20
• Chang R.H., Tseng J.M., Jehng J.M., Shu C.M., Hou H.Y., 2006. Thermokinetic model simulations for methyl ethyl ketone peroxide contaminated with H₂SO₄ or NaOH by DSC and VSP2, J. Therm. Anal. Calorim. 83, 57–62
• Malow, M., & Wehrstedt, K. D. 2005. Prediction of the self-accelerating decomposition temperature (SADT) for liquid organic peroxides from differential scanning calorimetry (DSC) measurements. Journal of Hazardous Materials, a, 120(1), 21-24
• Yang, D., Koseki, H., & Hasegawa, K. 2003. Predicting the selfaccelerating decomposition temperature (SADT) of organic peroxides based on non-isothermal decomposition behavior. Journal of Loss Prevention in the Process Industry, 16(5), 411–416
• Saraf, S. R., Rogers, W. J., & Mannan, M. S. 2003. Prediction of reactive hazards based on molecular structure. Journal of Hazardous Materials, 98(1), 15-29

Temperatura samoprzyspieszającego się rozkładu

• Yanjie G., Xue Y., Lu Z.-g., Wang z., Chen W., Shi N., Sun F., 2015. Self-accelerating decomposition temperature and quantitative structure–property relationship of organic peroxides. Process Safety and Environmental Protection 94, 322–328
• Pan Y., Zhang Y., Jiang J., Ding L. 2014. Prediction of the self-accelerating decomposition temperature of organic peroxides using the quantitative structureeproperty relationship (QSPR) approach J. Loss Prev. Process Ind.  31, 41- 49
• Ding, L., Zhang, L. J., Sheng, Y. X., & Yan, S. H. 2009. SADT calculation of solid organic peroxides based on small sample mass of heterogeneous reaction. Journal of the Chemical Industry and Engineering, 60, 1062-1067
• Kossoy, A.A., Sheinman, I.Ya., 2007. Comparative analysis of the methods for SADT determination.. Hazard. Mater. 142,  626–638
• Malow, M., & Wehrstedt, K. D. 2005. Prediction of the self-accelerating decomposition temperature (SADT) for liquid organic peroxides from differential scanning calorimetry (DSC) measurements. Journal of Hazardous Materials, a, 120(1), 21-24
• Yang, D., Koseki, H., & Hasegawa, K. 2003. Predicting the selfaccelerating decomposition temperature (SADT) of organic peroxides based on non-isothermal decomposition behavior. Journal of Loss Prevention in the Process Industry, 16(5), 411–416
• Bosch, C. M., Velo, E., & Recasens, F. 2001. Safe storage temperature of peroxide initiators: prediction of self-accelerated decomposition temperature based on a runaway heuristics. Chemical Engineering Science, 56(4), 145-1457
• Sun, J. H., Li, Y. F., & Hasegawa, K. 2001. A study of self-accelerating decomposition temperature (SADT) using reaction calorimetry. Journal of Loss Prevention in the Process Industries, 14(5), 331-336
• Yu, Y., & Hasegawa, K. 1996. Derivation of the self-accelarating decomposition temperature for self-reactive substances using isothermal calorimeter. Journal of Hazardous Materials, 45(2–3), 193–205
• Kotoyori, T. 1995. Critical temperatures for the thermal explosion of liquid organic peroxides. Process Safety Progress, 14(1), 31–44
• Fisher, H. G., & Goetz, D. D. 1993. Determination of self-accelerating decomposition temperatures for self-reactive substances. Journal of Loss Prevention in the Process Industry, 6(3), 183–194
• Whitmore, M. W., & Wilberforce, J. K. 1993. Use of the accelerating rate calorimeter and the thermal activity monitor to estimate stability temperatures. Journal of Loss Prevention in the Process Industry, 6(2), 95–101
• Kotoyori, T. 1993. Critical temperature for the thermal explosion of liquids. Combustion and Flame, 95, 307–312
• Kotoyori, T. 1988. Critical ignition temperatures of chemical substances. Journal of Loss Prevention in the Process Industry, 2(1), 16–21

Materiały konferencyjne

• Blankenhagel, P., Mishra, K.B., Wehrstedt, K.-D., Steinbach, J., 2016. Thermal radiation impact of DTBP fireballs. In: Proceedings of 19th Seminar on New Trends in Research of Energetic Materials, str. 410–418.
• Mishra, K.B., Wehrstedt, K.-D., Krebs, H., 2015. Boiling liquid expanding vapour explosion (BLEVE) of peroxy-fuels: experiments and computational fluid dynamics (CFD) simulation. Energy Procedia 66, 149–152
• Kossoy, A. (2003) The advanced approach to reactivity rating. Proceedings of Mary Kay O’Connor process safety center 2003 annual symposium, Texas USA, 197–208
• Clark D.E. 2001, Peroxides and peroxide-forming compounds, Chem. Health & Safe 12–22
• Clark, R.D., Sprous, D.G., Leonard, J.M., 2001. Validating models based on large dataset. In: Holtje, H.-D., Sippl, W. (Eds.), Rational Approaches to Drug Design, Proceedings of the 13th European Synposium on Quantitative Structure-activity Relationships, Prous Sci, pp. 475-485.
• Hasegawa, K., & Li, Y. 1998. On the thermal decomposition mechanism of self-reactive material and the evaluating method for their SADTs. Proceedings of ninth international symposium of loss prevention and safety promotion in the process industries, Barcelona, Spain, pp. 555–569
• Mores, S., Nolan, P., O’Brien, G., 1994. Determination of self-accelerating  decomposition temperature (SADT) from thermal stability data  generated using  accelerating rate calorimetry. In: InI Chem E Symposium, Manchester
• Cracknell, R.F., Carsley, A.J., 1997. Cloud fires - a methodology for hazard consequence modelling. In: IChemE Symposium Series, vol. 141. str. 139–150.
• Mores, S., Nolan P. F., & Brien, G. O. 1989. Determination of selfaccelerating decomposition temperature (S.A.D.T.) from thermal stability data generated using accelerating rate calorimetry, I. Chem. E. Symposium series No. 134 str. 609–627
• Fay, J.A., Lewis Jr., D.H., 1976. Unsteady burning of unconfined fuel vapor clouds. In: Sixteenth Symposium on Combustion, vol. 16. The Combustion Institute, str. 1397–1405

Monografie

• Casal, J., 2008. Evaluation of the Effects and Consequences of Major Accidents in Industrial Plants. Elsevier, Industrial Safety Series Vol. 8
• Mannan, S., 2005. third ed. Lees' Loss Provention in the Process Industries, vol. 1 Butterworth-Heinemann, Burlington rozdział 16
• Casal, J., Arnaldos, J., Montiel, H., Planas, E., Vilchez, J., 2002. Modeling and Understanding BLEVEs. McGraw-Hill, New York, str. 22.1–22.27 rodział 22
• Herbert, K., Peter, H. G., Rainer, S., & Wilfried, M. 2002. Peroxy compounds, organic in ullmann's encyclopedia of industrial chemistry. Weinheim: Wiley-VCH.
• Hiatt, R. 1971. In Daniel Swern, Organic peroxides (vol. II) str. 812–815. Wiley-Interscience
• C.S. Sheppard, O.L. Magelli, 1970 Organic peroxides and peroxy compounds –generaldescription, in: D. Swern (Ed.), Organic Peroxides, Wiley-Interscience, NewYork, , pp. 1–104

Raporty

• He, J., 2008. Study on Thermal Decomposition Analysis of Organic Peroxides. Nanjing University of Science &Technology,  Nanjing
• OECD, 2007. Guidance document on the validation of (Quantitative)Structure–Activity Relationships [(Q)SAR] models Paris
• Jagger, S., O'Sullivan, S., 2004. Human Vulnerability to Thermal Radiation Offshore. Health and Safety Laboratory, Buxton http://www.hse.gov.uk/research/hsl _pdf/2004/hsl04-04.pdf
• Yang, D., Koseki, H., Hasegawa, K., 2003. Elaborately simulated decomposition kinetics of organic peroxides, Report of National Research Institute of Fire and Disaster, vol. 95., 9–18

• Health and Safety Executive, 2002. Chemical Warehoursing - Safety Report Assessment Guide, vol. 6 HSE. http://www.hse.gov.uk/Comah/sragcwh/ index.htmWilberforce, J. K. 1981. The use of the accelerating rate calorimeter to determine the SADT of organic peroxides. Columbia Scientific Industries Corp. Internal Report. Milton Keynes
• CCPS, 1994. Guidelines for Evaluating the Characteristics of Vapor Cloud Explosions, Flash Fires, and BLEVEs. John Wiley & Sons, New York