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The vision of application of multiobjective optimization and genetic algorithm in modeling and simulation of the riser reactor of a fluidized catalytic cracking unit: A critical review
Published in A. K. Haghi, Lionello Pogliani, Eduardo A. Castro, Devrim Balköse, Omari V. Mukbaniani, Chin Hua Chia, Applied Chemistry and Chemical Engineering, 2017
Dagde et al. (2012)4 discussed lucidly modeling and simulation of industrial FCC unit and did analysis based on five-lump kinetic scheme for gas oil cracking. The challenge and the deep scientific understanding of chemical kinetics are slowly unfolding with each step of instinctive and innovative scientific pursuit. Models which describe the performance of riser and regenerator reactors of FCC unit are presented in this treatise. The riser-reactor is modeled as a plug-flow reactor operating adiabatically, using five-lump kinetics for the cracking reactions. Chemical kinetics and chemical reaction engineering are the forerunners toward a visionary domain of chemical process design and chemical process modeling.4 Vision of science, the scientific and academic rigor, and the march of technology will all lead a long way in the true emancipation of holistic energy sustainability. The efficacy of scientific modeling and simulation of an FCC unit will widen the frontiers of science and engineering.4
Chemically Reacting Flows
Published in Greg F. Naterer, Advanced Heat Transfer, 2018
Heat transfer is a major element of the design and analysis of chemical reaction engineering systems. Chemically reacting flows are characterized by chemical changes of reactants that yield one or more products in solid, liquid, and/or gas phases. These reactions often consist of a sequence of individual sub-steps, called elementary reactions, which occur at a characteristic reaction rate, temperature, and chemical concentration.
Chemical Reaction Engineering
Published in Salmi Tapio, Mikkola Jyri-Pekka, Wärnå Johan, Chemical Reaction Engineering and Reactor Technology, 2019
Salmi Tapio, Mikkola Jyri-Pekka, Wärnå Johan
Topics of chemical reaction engineering are discussed by a multitude of scientific congresses and colloquia devoted to chemical engineering and catalysis. The flagship of these events in reaction engineering is the International Symposium in Chemical Reaction Engineering (ISCRE), which started in the late 1950s as a European–North American effort.
Influence of chemically active additives on kinetics of acetylene self-decomposition and following soot formation
Published in Combustion Science and Technology, 2023
Alexander V. Drakon, Alexander V. Eremin, Ekaterina Yu Mikheyeva
Recently, the Chemical Reaction Engineering and Chemical Kinetics Lab (CRECK) modeling group suggested a mechanism (Saggese et al. 2014) that was validated for acetylene diluted by inert gas pyrolysis in shock tubes (Colket 1988; Wu, Singh, Kern 1987). The detailed soot formation model used in this study consisted of a gas-phase kinetic model of high-temperature pyrolysis and oxidation of hydrocarbon fuels, including all additives considered in this work (CRECK modeling group 2020). The model includes the chemistry of polycyclic aromatic hydrocarbons (PAHs) up to as large as C18H10 (containing 4–5 rings). The discrete sectional approach (Saggese et al. 2014) is used to describe the nucleation of soot nanoparticles and growth in mass/size due to coagulation and chemistry on the nanoparticle surface. Heavy PAHs and nanoparticles of different sizes were divided into 25 pseudo-classes, the mass of which doubles from one class to another. Each class included a fixed number of carbon and hydrogen atoms. The thermochemical properties of the classes are based on the method of group additivity. This model has been successfully tested for high-temperature acetylene pyrolysis conditions (Saggese et al. 2014).
Experimental benchmarking of diffusion and reduced models for convective drying of single rice grains
Published in Drying Technology, 2020
Kieu Hiep Le, Thi Thu Hang Tran, Abdolreza Kharaghani, Evangelos Tsotsas
As discussed, the REA model is an application of chemical reaction engineering principles by using an artificial concept of evaporation–condensation reaction.[19,30–32] To describe the overall drying behavior of a porous particle by REA approach, the intra-particle moisture content and temperature distributions are assumed to be uniformly distributed, i.e. Biot number smaller than 0.1. This simplification is rather justifiable with small particles. In the case of food materials with low thermal conductivity, the assumption of uniform temperature distribution may not be valid. However, the spatially-distributed models such as continuum-scale models, diffusion model are computationally heavy, due to the spatial discretization, to be incorporated into dryer simulation that would distinguish between individuals within the population of particles/grains (i.e. CFD–DEM simulation). All information about the distribution of the temperature and moisture content get lost in this transition stage; this price would have to be paid for the cost of such a simple reduced model. On the other hand, from practical standpoints, dryer models often do not require this intra-particle information, instead the heat and mass interaction between the particle surface and the surrounding drying agent is mandatory. Therefore, the diffusion model is reduced to REA model that may be more suitable to be incorporated into dryer models.
Effects of n-butanol addition on sooting tendency and formation of C1 –C2 primary intermediates of n-heptane/air mixture in a micro flow reactor with a controlled temperature profile
Published in Combustion Science and Technology, 2018
Mohd Hafidzal Bin Mohd Hanafi, Hisashi Nakamura, Susumu Hasegawa, Takuya Tezuka, Kaoru Maruta
To the best of the authors’ knowledge, there are only two reaction mechanisms in which oxidation of n-heptane and n-butanol as well as PAH growth are modeled such as Wang mechanism (http://www.erc.wisc.edu/) and the Chemical Reaction Engineering and Chemical Kinetics (CRECK) mechanism (http://creckmodeling.chem.polimi.it/). The Wang mechanism is a reduced mechanism that consists of 76 species and 349 reactions. It was developed by a combination of three parts: a reduced mechanism of gasoline primary reference fuel (PRF) developed by Ra and Reitz (2008), a detailed mechanism of PAH growth up to pyrene (A4) developed by Slavinskaya et al. (2012), and a reduced mechanism of n-butanol based on detailed mechanism developed by Sarathy et al. (2012). The Wang mechanism was validated for ignition delay by shock tubes and for soot emission by constant volume chambers. It showed good agreements with experimentally obtained results (Wang et al., 2013).