A novel strategy for dynamic optimization of grade transition processes based on molecular weight distribution

To achieve different end-use properties of polymers, an industrial plant must produce several grades of the product through the same process under different operating conditions. As molecular weight distribution (MWD) is a crucial quality index of polymers, grade transition based on MWD is of great importance. Dynamic optimization of the grade transition process using MWD is a challenging task because of its large-scale nature. After analyzing the relationships among state variables during polymerization, a novel method is proposed to conduct the optimal grade transition using dynamic optimization with a small-scale moment model, combined with a steady-state calculation of the MWD. By avoiding expensive computation in dealing with dynamic MWD optimization, this technique greatly reduces the computational complexity of the process optimization. The theoretical equivalence of this simplification is also proved. Finally, an industrial high-density polyethylene slurry process is presented to demonstrate the efficiency and accuracy of the proposed strategy. © 2014 American Institute of Chemical Engineers AIChE J, 60: 2498–2512, 2014

[1]  Mamdouh A. Al-Harthi,et al.  Dynamic Monte Carlo Simulation of ATRP with Bifunctional Initiators , 2007 .

[2]  E. Lima,et al.  Dynamic optimization of non-linear emulsion copolymerization systems: Open-loop control of composition and molecular weight distribution , 2002 .

[3]  Costas Kiparissides,et al.  Modeling and simulation of an industrial slurry-phase catalytic olefin polymerization reactor series , 2010 .

[4]  L. Biegler,et al.  Equation-Oriented Optimization on an Industrial High-Density Polyethylene Slurry Process with Target Molecular Weight Distribution , 2013 .

[5]  Timothy F. L. McKenna,et al.  Polyolefin Reaction Engineering: SOARES:POLYOLEFIN O-BK , 2012 .

[6]  Mariano Asteasuain,et al.  Modeling and optimization of a high-pressure ethylene polymerization reactor using gPROMS , 2008, Comput. Chem. Eng..

[7]  João B. P. Soares,et al.  Mathematical modelling of the microstructure of polyolefins made by coordination polymerization: a review , 2001 .

[8]  T. Crowley,et al.  Experimental studies on optimal molecular weight distribution control in a batch-free radical polymerization process , 1998 .

[9]  P. L. Mills Determination of polymer chain length distributions by numerical inversion of z-transforms , 1986 .

[10]  Wolfgang Marquardt,et al.  Optimal process operation for the production of linear polyethylene resins with tailored molecular weight distribution , 2011 .

[11]  A. Brandolin,et al.  Recovery of molecular weight distributions from transformed domains. Part I. Application of pgf to mass balances describing reactions involving free radicals , 2002 .

[12]  Stratos Pistikopoulos,et al.  A Hierarchical Optimization Approach to Optimal Production Scheduling in an Industrial Continuous Olefin Polymerization Reactor , 2009 .

[13]  S. Hakim,et al.  Simulation of a Series of Industrial Slurry Reactors for HDPE Polymerization Process Using Deconvolution of the GPC Graph of Only the First Reactor , 2006 .

[14]  W. Harmon Ray,et al.  Optimal-grade transition strategies for multistage polyolefin reactors , 1999 .

[15]  W. Ray,et al.  Dynamic modeling of polyethylene grade transitions in fluidized bed reactors employing nickel-diimine catalysts , 2006 .

[16]  Masahiro Ohshima,et al.  Quality control of polymer production processes , 2000 .

[17]  M. Wulkow,et al.  The simulation of molecular weight distributions in polyreaction kinetics by discrete Galerkin methods , 1996 .

[18]  João B. P. Soares,et al.  Deconvolution of chain-length distributions of linear polymers made by multiple-site-type catalysts , 1995 .

[19]  Timothy J. Crowley,et al.  Calculation of Molecular Weight Distribution from Molecular Weight Moments in Free Radical Polymerization , 1997 .

[20]  Y. A. Liu,et al.  Steady-State and Dynamic Modeling of Commercial Slurry High-Density Polyethylene (HDPE) Processes , 2002 .

[21]  Antonio Flores-Tlacuahuac,et al.  Efficient numerical integration of stiff differential equations in polymerisation reaction engineering: Computational aspects and applications , 2012 .

[22]  Peter Deuflhard,et al.  Computational treatment of polyreaction kinetics by orthogonal polynomials of a discrete variable , 1989, IMPACT Comput. Sci. Eng..

[23]  Mohammad Al-haj Ali,et al.  Effect of monomer feed and production rate on the control of molecular weight distribution of polyethylene in gas phase reactors , 2011, Comput. Chem. Eng..

[24]  Kim B. McAuley,et al.  Determining Polymer Chain Length Distributions Using Numerical Inversion of Laplace Transforms , 1996 .

[25]  A. J. Morris,et al.  Online optimizing control of molecular weight properties in batch free-radical polymerization reactors , 2002 .

[26]  Victor M. Zavala,et al.  Large-scale nonlinear programming using IPOPT: An integrating framework for enterprise-wide dynamic optimization , 2009, Comput. Chem. Eng..

[27]  Jianming Lu,et al.  Monte Carlo simulation of kinetics and chain-length distribution in radical polymerization , 1993 .

[28]  Dominique Bonvin,et al.  Optimal Grade Transition in Industrial Polymerization Processes via NCO Tracking , 2007 .

[29]  Xi Chen,et al.  Parallel calculation methods for molecular weight distribution of batch free radical polymerization , 2013, Comput. Chem. Eng..

[30]  Mariano Asteasuain,et al.  High‐Pressure Polymerization of Ethylene in Tubular Reactors: A Rigorous Dynamic Model Able to Predict the Full Molecular Weight Distribution , 2009 .

[31]  L. Biegler,et al.  Large-scale dynamic optimization for grade transitions in a low density polyethylene plant , 2002 .

[32]  Efstratios N. Pistikopoulos,et al.  Optimal grade transition and selection of closed-loop controllers in a gas-phase olefin polymerization fluidized bed reactor , 2003 .

[33]  K. Alhumaizi,et al.  Control of molecular weight distribution of polyethylene in gas-phase fluidized bed reactors , 2010 .

[34]  Mario de Jesus Mendes,et al.  Analysis of an industrial continuous slurry reactor for ethylene–butene copolymerization , 2005 .

[35]  Klavs F. Jensen,et al.  On‐line molecular weight distribution estimation and control in batch polymerization , 1994 .

[36]  Enrique Luis Lima,et al.  Modeling molecular weight distribution in emulsion polymerization reactions with transfer to polymer , 2001 .

[37]  S. Woo,et al.  Computer simulation study of ethylene polymerization rate profile catalyzed over highly active Ziegler-Natta catalysts , 1991 .

[38]  A. Brandolin,et al.  Recovery of molecular weight distributions from transformed domains. Part II. Application of numerical inversion methods , 2002 .