CHEMICAL PROCESS MODELLING AND COMPUTER SIMULATION
This comprehensive and thoroughly revised text, now in its second edition, continues to present the fundamental concepts of how mathematical models of chemical processes are constructed and demonstrate their applications to the simulation of two of the very important chemical engineering systems: the chemical reactors and distillation systems. The book provides an integrated treatment of process description, mathematical modelling and dynamic simulation of realistic problems, using the robust process model approach and its simulation with efficient numerical techniques. Theoretical background materials on activity coefficient models, equation of state models, reaction kinetics, and numerical solution techniques—needed for the development of mathematical models—are also addressed in the book. The topics of discussion related to tanks, heat exchangers, chemical reactors (both continuous and batch), biochemical reactors (continuous and fed-batch), distillation columns (continuous and batch), equilibrium flash vaporizer, and refinery debutanizer column contain several worked-out examples and case studies to teach students how chemical processes can be measured and monitored using computer programming. The new edition includes two more chapters—Reactive Distillation Column and Vaporizing Exchangers—which will further strengthen the text. This book is designed for senior level undergraduate and first-year postgraduate level courses in “Chemical Process Modelling and Simulation”. The book will also be useful for students of petrochemical engineering, biotechnology, and biochemical engineering. It can serve as a guide for research scientists and practising engineers as well.
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acetate activity coefﬁcient algebraic equations algorithm batch distillation batch distillation column Benzene binary biomass bioreactor boil-up calculations Chapter Chem chemical engineering coefficient column base Component continuity equation concentration condenser constant continuity equation continuous distillation CSTR cyclohexane cyclopentane deﬁned density developed DIMENSION NC distillation column dynamic simulation energy balance equations enthalpy equilibrium coefﬁcient ethanol Ethyl ethyl acetate Euler method feed tray Figure ﬁrst ﬂash ﬂow rate Fortran 90 gmol heat transfer hydrocarbons input jacket lbmol/h leaving nth tray liquid and vapour liquid holdup liquid phase liquid stream mathematical model model structure modelling equations mole fraction multicomponent nonideal nonlinear operation ordinary differential equations parameters predict process model Program pure component reactant reaction reactor temperature reboiler reﬂux drum Runge—Kutta solution steady Step SUBROUTINE substrate Table tank thermodynamic UNIFAC vapour and liquid vapour composition vapour ﬂow rate vapour phase vapour pressure vapour—liquid equilibrium variables weir