Random sampling technique to predict the molecular weight distribution in nonlinear polymerization

Comprehensive accounts for the newly proposed concept of the random sampling technique are given in detail. This techniques involves random sampling of polymer molecules from an infinite number of polymeric species in the reaction mixture, and can provide a deeper insight into the complex molecular buildup processes such as those involving branching, crosslinking, and degradation reactions. For simpler cases, the analytical solutions for the molecular weight distribution can be obtained. By combining this technique with the Monte Carlo method, one obtains a very powerful simulator that can be applied to virtually any type of nonlinear polymer formation (or degradation) irrespective of the reactor types used, as long as the chain-length and structural dependences of the reaction kinetics can be neglected. In the Monte Carlo simulations, we can observe the structure of each polymer molecule directly so that very detailed structural information, including the spatial distribution of polymer chains, can be obtained in a straightforward manner. Several types of nonlinear polymerization schemes are used to illustrate the fundamentals of the presented technique.

[1]  Shiping Zhu,et al.  Polyradical distribution in free radical crosslinking of polymer chains , 1996 .

[2]  H. Tobita,et al.  Microgel formation in emulsion copolymerization: II. Seeded polymerization , 1996 .

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

[4]  H. Tobita.  Kinetics of Free-Radical Polymerization with Chain-Length-Dependent Bimolecular Termination under Unstationary Conditions , 1996 .

[5]  H. Tobita.  Random Degradation of Branched Polymers. 2. Multiple Branches , 1996 .

[6]  H. Tobita.  Random Degradation of Branched Polymers. 1. Star Polymers , 1996 .

[7]  H. Tobita,et al.  Branched structure formation in free radical polymerization of vinyl acetate , 1996 .

[8]  H. Tobita.  Random Sampling Technique To Predict the Molecular Weight Distribution in Free-Radical Polymerization That Involves Polyfunctional Chain Transfer Agents , 1996 .

[9]  H. Tobita.  Molecular weight distribution in random branching of polymer chains , 1996 .

[10]  Hidetaka Tobita,et al.  Molecular Weight Distribution in Free-Radical Polymerization with Chain-Length-Dependent Bimolecular Termination. 2. Emulsion Polymerization , 1995 .

[11]  Hidetaka Tobita,et al.  Molecular weight distribution in random crosslinking of polymer chains , 1995 .

[12]  H. Tobita,et al.  Long‐chain branching in free‐radical polymerization due to chain transfer to polymer , 1995 .

[13]  Hidetaka Tobita,et al.  Simulation model for the modification of polymers via crosslinking and degradation , 1995 .

[14]  H. Tobita,et al.  Molecular weight distribution in random crosslinking of polymers: Modality of the molecular weight distribution , 1994 .

[15]  H. Tobita.  Dimensions of Cross-Linked Polymers Formed in Living Vinyl/Divinyl Copolymerization , 1994 .

[16]  M. Seesselberg,et al.  A comparative study of the master equation approach and the discrete Galerkin method for the simulation of free radical polymerization , 1994 .

[17]  H. Tobita.  Kinetics of long-chain branching in emulsion polymerization: 1. Chain transfer to polymer , 1994 .

[18]  Hidetaka Tobita,et al.  Kinetics of long-chain branching in emulsion polymerization: 2. Vinyl acetate polymerization , 1994 .

[19]  H. Tobita,et al.  Network Formation in Emulsion Crosslinking Copolymerization , 1994 .

[20]  Francesco Petruccione,et al.  A master equation investigation of coagulation reactions: Sol-gel transition , 1994 .

[21]  P. Netz,et al.  The study of network formation as a cluster-cluster diffusion-limited aggregation process: Modelling of the curing of an epoxy-resin using the Monte Carlo method , 1994 .

[22]  H. Tobita.  A simulation model for long‐chain branching in vinyl acetate polymerization: 2. Continuous polymerization in a stirred tank reactor , 1994 .

[23]  Shiping Zhu,et al.  Gel formation in free radical polymerization via chain transfer and terminal branching , 1994 .

[24]  H. Tobita.  A simulation model for long‐chain branching in vinyl acetate polymerization: 1. Batch polymerization , 1994 .

[25]  K. O'driscoll,et al.  Monte Carlo simulation of pulsed laser polymerization , 1994 .

[26]  Gregory T. Russell.  On exact and approximate methods of calculating an overall termination rate coefficient from chain length dependent termination rate coefficients , 1994 .

[27]  H. Tobita,et al.  Computer simulation of network formation in free-radical crosslinking copolymerization , 1994 .

[28]  Hidetaka Tobita,et al.  Molecular weight distribution in free radical polymerization with long‐chain branching , 1993 .

[29]  H. Tobita.  Simulation model for network formation in free‐radical crosslinking copolymerization: Pregelation period , 1993 .

[30]  H. Tobita.  Kinetics of network formation in free-radical crosslinking copolymerization , 1993 .

[31]  B. Friedman,et al.  Theory of intramolecular reactions in polymeric liquids , 1993 .

[32]  H. Tobita.  Molecular weight distribution in free-radical crosslinking copolymerization , 1993 .

[33]  H. Tobita.  Kinetics of Long-Chain Branching via Chain Transfer to Polymer: I. Branched Structure , 1993 .

[34]  Minoru Kohno,et al.  Functionality dependence of the distribution of cyclic species in network formation , 1993 .

[35]  H. Rolfes,et al.  Prediction of structure and properties of end‐linked networks , 1993 .

[36]  G. Grest,et al.  Kinetics of End Crosslinking in Dense Polymer Melts , 1992 .

[37]  Nicholas A. Peppas,et al.  A kinetic gelation method for the simulation of free-radical polymerizations , 1992 .

[38]  C. Macosko,et al.  Cyclization During Crosslinking Free-Radical Polymerizations , 1992 .

[39]  A. Hamielec,et al.  Modeling of network formation in free radical polymerization , 1989 .

[40]  B. Zimm,et al.  When polymer science looked easy. , 1984, Annual review of physical chemistry.

[41]  J. A. Semlyen.  Ring-chain equilibria and the conformations of polymer chains , 1976 .

[42]  R. W. Kilb.  Dilute Gelling Systems. I. The Effect of Ring Formation on Gelation , 1958 .

[43]  Homer Jacobson,et al.  Intramolecular Reaction in Polycondensations. I. The Theory of Linear Systems , 1950 .

[44]  Bruno H. Zimm,et al.  Apparatus and Methods for Measurement and Interpretation of the Angular Variation of Light Scattering; Preliminary Results on Polystyrene Solutions , 1948 .

[45]  P. Flory,et al.  Synthesis of Multichain Polymers and Investigation of their Viscosities1 , 1948 .

[46]  P. Flory.  Molecular Size Distribution in Three Dimensional Polymers. V. Post-gelation Relationships , 1947 .

[47]  W. Stockmayer.  Theory of Molecular Size Distribution and Gel Formation in Branched Polymers II. General Cross Linking , 1944 .