Modeling of reactive batch distillation processes for control

Abstract Reactive batch distillation (RBD) is a preferred process intensification technology to carry out equilibrium-limited reactions. It is a multicomponent, multiphase system. Appropriate process description requires dynamic modeling of coupled thermodynamics and transport phenomena including the chemical reactions. Such models are barely applicable to online model based operation technology such as model predictive control, real-time optimization and online process monitoring. Therefore, in this paper, the rigorous dynamic model of an RBD is transformed into a set of decoupled ordinary differential equations using linear transformation matrices, called extent transformation, that preserve the physical meaning of the transformed variables. The resulting model has a state space representation with a diagonal state matrix. This representation is suitable for control purposes and can be considered as a linear parameter varying system. Based on the final structure of the model, controllability conditions are stated, and model reduction scenarios are proposed. Finally, the model based on extent transformations is compared with the rigorous nonlinear model via the simulation of a polyesterification process.

[1]  Diogo Rodrigues,et al.  Variant and invariant states for chemical reaction systems , 2015, Comput. Chem. Eng..

[2]  Pierre Rouchon,et al.  Quality control of binary distillation columns via nonlinear aggregated models , 1991, Autom..

[3]  D. Bonvin,et al.  Extents of reaction and flow for homogeneous reaction systems with inlet and outlet streams , 2010 .

[4]  Dominique Bonvin,et al.  Identification of Biokinetic Models Using the Concept of Extents. , 2017, Environmental science & technology.

[5]  Diogo Rodrigues,et al.  Generalization of the concept of extents to distributed reaction systems , 2017 .

[6]  D. Bonvin,et al.  Control of Reaction Systems via Rate Estimation and Feedback Linearization , 2015 .

[7]  Dominique Bonvin,et al.  Reaction and flow variants/invariants in chemical reaction systems with inlet and outlet streams , 1998 .

[8]  M. Hautus Stabilization, controllability and observability of linear autonomous systems , 1970 .

[9]  Muhammad A. Al-Arfaj,et al.  Comparative control study of ideal and methyl acetate reactive distillation , 2002 .

[10]  Moses O. Tadé,et al.  Two-point control of a reactive distillation column for composition and conversion , 1999 .

[11]  Rohit Kawathekar Nonlinear model predictive control of a reactive distillation column , 2007 .

[12]  Dominique Bonvin Control and optimization of batch processes , 2006 .

[13]  Nirav Bhatt,et al.  Extents of Reaction, Mass Transfer and Flow for Gas−Liquid Reaction Systems , 2010 .

[14]  Ian T. Cameron,et al.  Process Modelling and Model Analysis , 2013 .

[15]  Moses O. Tadé,et al.  ETBE Synthesis via Reactive Distillation : 2. Dynamic Simulation and Control Aspects , 1997 .

[16]  E. Zondervan,et al.  A novel process for the synthesis of unsaturated polyester , 2011 .

[17]  W. Marquardt,et al.  Incremental Identification of Reaction Systems - A Comparison between Rate-based and Extent-based Approaches , 2012 .

[18]  Pu Li,et al.  Optimisation and experimental verification of startup policies for distillation columns , 2004, Comput. Chem. Eng..

[19]  Leif G. Hammarström Control of chemical reactors in the subspace of reaction and control variants , 1979 .

[20]  Dominique Bonvin,et al.  Identification of Multiphase Reaction Systems with Instantaneous Equilibria , 2016 .

[21]  Roland Toth,et al.  Modeling and Identification of Linear Parameter-Varying Systems , 2010 .

[22]  S. Skogestad,et al.  Control Strategies for a Combined Batch Reactor/Batch Distillation Process , 1996 .

[23]  Sigurd Skogestad,et al.  Control strategies for reactive batch distillation , 1994 .

[24]  B. Ydstie,et al.  Reaction variants and invariants based observer and controller design for CSTRs , 2016 .

[25]  Tapio Salmi,et al.  Kinetics of melt polymerization of maleic acid phthalic acids with propylene glycol , 1994 .

[26]  Achim Kienle,et al.  Equilibrium theory and nonlinear waves for reactive distillation columns and chromatographic reactors , 2004 .

[27]  Constantinos C. Pantelides,et al.  The online use of first-principles models in process operations: Review, current status and future needs , 2013, Comput. Chem. Eng..

[28]  O. A. Asbjornsen Reaction invariants in the control of continuous chemical reactors , 1972 .

[29]  R. L. Dekock,et al.  Reaction Extrema: Extent of Reaction in General Chemistry , 2013 .

[30]  O. A. Asbjornsen,et al.  Response modes of continuous stirred tank reactors , 1970 .

[31]  Francis J. Doyle,et al.  Nonlinear model-based control of a batch reactive distillation column , 1998 .

[32]  Ilse C. F. Ipsen Numerical Matrix Analysis - Linear Systems and Least Squares , 2009 .

[33]  E. F. Wijn,et al.  Weir flow and liquid height on sieve and valve trays , 1999 .

[34]  Michel Cabassud,et al.  Dynamic models for start-up operations of batch distillation columns with experimental validation , 2004, Comput. Chem. Eng..

[35]  Muhammad A. Al-Arfaj,et al.  Comparison of Alternative Control Structures for an Ideal Two-Product Reactive Distillation Column , 2000 .

[36]  Wolfgang Marquardt,et al.  A grey-box modeling approach for the reduction of nonlinear systems , 2008 .

[37]  Muhammad A. Al-Arfaj,et al.  Control of ethylene glycol reactive distillation column , 2002 .

[38]  B. R. Young,et al.  Modeling and Model Predictive Control of Composition and Conversion in an ETBE Reactive Distillation Column , 2005 .

[39]  D. Bonvin,et al.  Extent-based incremental identification of reaction systems using concentration and calorimetric measurements , 2012 .

[40]  S. Skogestad,et al.  Reduced distillation models via stage aggregation , 2010 .

[41]  D. Bonvin,et al.  Variant and Invariant States for Reaction Systems , 2013 .