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PP-II-35TOWARDS INHERENTLY SAFER REACTOR DESIGNFOR COMPLEX REACTIONSPineda A. 1 , Papadaki M. 2,3* , Saenz L. 1 , Carreto-Vazquez V.H. 1 ,Rogers W.J. 1 and Mannan M.S. 11 Mary Kay O’Connor Process Safety Center, Artie McFerrin Department of ChemicalEngineering, Texas A&M University, College Station, Texas 77843-3122, USA,e-mail: alba.pineda@che.tamu.edu; lina.saenz@chemail.tamu.edu;victor_carreto@neo.tamu.edu; wjrogers@tamu.edu; mannan@tamu.edu2 IPSE, SPEME, University of Leeds, Leeds, LS2 9JT, UK,e-mail: m.papadaki@leeds.ac.uk.3* Corresponding author: Department of Environmental and Natural ResourcesManagement, University of Ioannina, Seferi 2, Agrinio, GR 30100, Greecee-mail: mpapadak@cc.uoi.gr1. INTRODUCTIONA number of reactive processes of the agrochemical, fine-chemicals andpharmaceutical industries involve thermally unstable and/or toxic reactants, productsor intermediates, for which the chemistry, thermochemistry and thermodynamicproperties are barely known. They frequently employ multipurpose batch or semibatchreactors. In their current mostly empirical designs, these reactors are prone torunaways because: (a) the application of fine, sophisticated control is difficult due tothe variety of productions served by the same reactor (b) due to their complexity,there is a complete lack or scarcity of kinetic and thermodynamic data [1].Additionally, the impact on the environment of such, empirically designed batchreactorprocesses, measured via the E-factor, namely the mass of by-productsproduced per unit mass of product, is very high and substantially higher than therespective ratio of other “traditional” large-scale, continuous, chemical processes [3].This work addresses both the safety issues and the environmental implicationsthat arise from the empirical design of added value chemicals production. It presentsa methodology for the design of continuous, inherently safer and sustainableprocesses via the combination of calorimetry, computational chemistry, and reactionengineering.The study focuses on small throughput added value processes that involvecomplex, homogeneously catalysed oxidations of organics, where hydrogen peroxideis the employed oxidant. In such reactors, hydrogen peroxide decomposition,producing gaseous oxygen is inevitable, while the organics present are oftenflammable. Hydrogen peroxide decomposition, which has been the cause of serious396