Computer Applications in Applied Polymer Science

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Content: Control of an isothermal polystyrene reactor / D.C. Timm, R.E. Gilbert, T.T. Ko, and M.R. Simmons -- Simulation of the kinetics of styrene polymerization / L.A. Cutter and T.D. Drexler -- Computational aspects of free radical polymerization kinetics with chain length dependent termination / S.K. Soh and D.C. Sundberg -- Analysis of molecular weight distribution using multicomponent models / Ephraim Broyer and Richard F. Abbott -- Use of continuous system modeling program (CSMP) to simulate polymerization, polycondensation, and polymer modification reactions / H. James Harwood, Andrzej Dworak, Ting Ken L. Nyeu, and Shen-Nan Tong -- Modeling and control of copolymerization reactors / Luis H. Garcia-Rubio, J.F. MacGregor, and A.E. Hamielec -- Copolymerization reaction engineering : controlled and uncontrolled semi-batch solution copolymerization of styrene with methyl acrylate / A.F. Johnson, B. Khaligh, and J. Ramsay -- Programs for calculating structural features of terpolymers / Yasuto Kodaira and H. James Harwood -- UV spectrophotometers as detectors for size exclusion chromatography of styrene-acrylonitrile (SAN) copolymers / Luis H. Garcia-Rubio, A.E. Hamielec, and J.F. MacGregor -- Computerized quantitative analysis of copolymers by IR spectroscopy / E.G. Bartick, J.C. Corbett, and G.L. McClure -- Modeling the equilibrium swelling of latex particles with monomers / C.M. Tseng, M.S. El-Aasser, and J.W. Vanderhoff -- Continuous poly(vinyl acetate) emulsion polymerization reactors : dynamic modeling of molecular weight and particle size development and application to optimal multiple reactor system design / M. Pollock, J.F. MacGregor, and A.E. Hamielec -- An automated Ferranti-Shirley viscometer / A.F. Kah, M.E. Koehler, T.F. Niemann, T. Provder, and R.R. Eley -- Automated capillary rheometer measurement and analysis / T.P. Dunton and S.D. Foss -- Computer simulation of nip flow in roll coating / D.J. Coyle, C.W. Macosko, and L.E. Scriven -- Finite element modeling of nonisothermal polymer flows / David Roylance -- Measurement of polarization in thermoplastic elastomers with application to morphology studies / M.A. Vallance and S.L. Cooper -- An automated thermal analysis system for reaction kinetics / A.F. Kah, M.E. Koehler, T.H. Grentzer, T.F. Niemann, and T. Provder -- Analysis of an epoxy curing reaction by differential scanning calorimetry / Nicole Levy -- Automated torsion pendulum : control and data collection/reduction using a desktop computer / John B. Enns and John K. Gillham -- Advanced thermal analysis system (ATHAS) polymer heat capacity data bank / Umesh Gaur and Bernhard Wunderlich -- Computerized viscoelastic master plots for vibration damping applications / Richard P. Chartoff and John L. Graham -- Application of the computer to degradation kinetics of poly(vinyl halides) / Joseph D. Danforth -- Prediction of polymer solution properties from a model of chain conformations and interactions / Witold Brostow, M. Antonieta Macip, and Jerzy S. Sochanski -- Mathematical treatment of the emulsification of benzene and styrene in aqueous hexadecyltrimethylammonium bromide-cetyl alcohol mixtures / Y.J. Chou, M.S. El-Aasser, and J.W. Vanderhoff -- Computer methods for finding solvent blend replacements and for predicting water/cosolvent evaporation at any humidity / Albert L. Rocklin -- Design and analysis of an acrylonitrile-butadiene-styrene (ABS) pipe compound experiment / M.H. Wilt and G.F. Koons

Author(s): Theodore Provder (Eds.)
Series: ACS Symposium Series 197
Publisher: American Chemical Society
Year: 1982

Language: English
Pages: 454
City: Washington, D.C

Title Page......Page 1
Half Title Page......Page 3
Copyright......Page 4
ACS Symposium Series......Page 5
FOREWORD......Page 6
PdftkEmptyString......Page 0
PREFACE......Page 7
1 Control of an Isothermal Polystyrene Reactor......Page 8
Polymerization Dynamics......Page 9
Optimization......Page 11
Systems Simulation......Page 13
Literature Cited......Page 16
2 Simulation of the Kinetics of Styrene Polymerization......Page 17
Computer Model......Page 23
Experimental......Page 25
Summary......Page 27
Literature Cited......Page 30
Quantitative Development......Page 31
Polymerization Kinetics......Page 33
Molecular Weight Development......Page 36
Conclusions......Page 44
Literature Cited......Page 47
4 Analysis of Molecular Weight Distribution Using Multicomponent Models......Page 48
MULTI-COMPONENT MODELS......Page 49
Schulz-Zimm Distribution Model......Page 50
Wesslau Distribution Model......Page 51
Average Molecular Weights......Page 52
CALCULATION OF THE PARAMETERS......Page 53
ANALYSIS OF THE GPC OF HDPE......Page 55
Literature Cited......Page 67
5 Use of Continuous System Modeling Program (CSMP) to Simulate Polymerization, Polycondensation, and Polymer Modification Reactions......Page 68
CSMP Language......Page 69
A Simple Kinetic Problem......Page 70
Resole Polycondensation......Page 71
Use of CSMP for Parameter Evaluation......Page 76
Self-Promoted Polyaddition with Condensation......Page 82
Polymer Modification Reactions......Page 85
Literature Cited......Page 87
6 Modeling and Control of Copolymerization Reactors......Page 89
Part 1 - Kinetics and Modeling of Copolymerization Reactions......Page 90
The Problem of Parameter Estimation in Copolymerization Equations......Page 95
Recent Advances in Copolymerization Theory......Page 101
Discussion......Page 102
Copolymer Composition......Page 103
Molecular Weight Determination......Page 105
Sequence Length Determination......Page 110
Size Exclusion Chromatography......Page 111
Part 3 Reactor Design and the Control of Copolymerization Reactors......Page 113
Conclusions......Page 114
Literature Cited......Page 116
7 Copolymerization Reaction Engineering Controlled and Uncontrolled Semi-batch Solution Copolymerization of Styrene with Methyl Acrylate......Page 119
The Control Policy......Page 121
Mathematical Model......Page 123
Experimental......Page 126
Results and Discussion......Page 127
Literature Cited......Page 137
8 Programs for Calculating Structural Features of Terpolymers......Page 138
Program A......Page 140
Program B......Page 147
Acknowledgments......Page 150
Literature Cited......Page 151
9 UV Spectrophotometers as Detectors for Size Exclusion Chromatography of Styrene-Acrylonitrile (SAN) Copolymers......Page 152
Infrared and Near Infrared Spectroscopy......Page 154
Refractive Index Measurements......Page 155
Ultraviolet Spectroscopy......Page 167
Conclusions......Page 182
Literature Cited......Page 183
10 Computerized Quantitative Analysis of Copolymers by IR Spectroscopy......Page 185
Results and Discussion......Page 186
Literature Cited......Page 196
11 Modeling the Equilibrium Swelling of Latex Particles with Monomers......Page 197
Theory......Page 198
Results and Discussion......Page 200
Literature Cited......Page 207
12 Continuous Poly(vinyl Acetate) Emulsion Polymerization Reactors Dynamic Modeling of Molecular Weight and Particle Size Development and Application to Optimal Multiple Reactor System Design......Page 208
Model Development......Page 209
Discussion......Page 213
Literature Cited......Page 219
13 An Automated Ferranti-Shirley Viscometer......Page 220
Data Aquisition System......Page 221
Automated Instrument Analysis Process......Page 222
Data Analysis Methods......Page 224
Conclusions......Page 236
Literature Cited......Page 238
14 Automated Capillary Rheometer Measurement and Analysis......Page 239
DATA ACQUISITION ALGORITHM......Page 240
RESULTS AND DISCUSSION......Page 242
Literature Cited......Page 246
15 Computer Simulation of Nip Flow in Roll Coating......Page 247
Finite Element Formulation......Page 250
Results for Newtonian Fluid......Page 252
Summary......Page 257
Literature Cited......Page 259
Formulation......Page 261
Down-channel Extruder Flow......Page 265
Entry Flow......Page 267
Literature Cited......Page 272
17 Measurement of Polarization in Thermoplastic Elastomers with Application to Morphology Studies......Page 273
Dielectric Spectrometers......Page 275
Analytical Modeling of Interfacial Polarization......Page 280
Interpretation of Polymer Spectra......Page 281
Summary......Page 288
Literature Cited......Page 291
18 An Automated Thermal Analysis System for Reaction Kinetics......Page 293
Automated Instrument Analysis Process......Page 294
Data Analysis Methods......Page 295
Conclusions......Page 301
Literature Cited......Page 307
19 Analysis of an Epoxy Curing Reaction by Differential Scanning Calorimetry......Page 308
Experimental......Page 309
Results and Discussion......Page 311
Conclusions......Page 319
Literature Cited......Page 322
20 Automated Torsion Pendulum: Control and Data Collection/Reduction Using a Desktop Computer......Page 323
Instrumentation......Page 324
Software......Page 330
Calibration......Page 342
Conclusions......Page 343
Literature Cited......Page 346
21 Advanced Thermal Analysis System (ATHAS) Polymer Heat Capacity Data Bank......Page 347
The Polymer Heat Capacity Data Bank......Page 350
Results......Page 352
1. Input Block......Page 353
C. Calculation Block......Page 354
Appendix......Page 355
Literature Cited......Page 358
22 Computerized Viscoelastic Master Plots for Vibration Damping Applications......Page 359
The Reduced Temperature Nomograph......Page 360
Examples of Data Reduction......Page 364
Literature Cited......Page 367
23 Application of the Computer to Degradation Kinetics of Poly(vinyl Halides)......Page 368
The Program for Obtaining Best Fit Values of Kinetic Parameters......Page 369
Simulation of Runs for Single and Mixed Samples of Poly(vinyl-chloride)......Page 371
Literature Cited......Page 375
24 Prediction of Polymer Solution Properties from a Model of Chain Conformations and Interactions......Page 376
Experimental Information......Page 377
Model......Page 379
Computations......Page 383
Results and Discussion......Page 384
Polymer Conformations in Flow......Page 385
Literature Cited......Page 387
25 Mathematical Treatment of the Emulsification of Benzene and Styrene in Aqueous Hexadecyltrimethylammonium Bromide—Cetyl Alcohol Mixtures......Page 390
Interpretation of the Conductometric Titration Curves......Page 394
Mathematical Model of the Conductometric Titration Curves......Page 396
Discussion......Page 397
Extension and Verification of the Mathematical Model......Page 405
Three-Dimensional Conductance-Oil Volume-Cetyl Alcohol Plots......Page 409
Summary......Page 413
Literature Cited......Page 416
26 Computer Methods for Finding Solvent Blend Replacements and for Predicting Water/Cosolvent Evaporation at Any Humidity......Page 417
Evaporation Program......Page 419
Solvent Blend Replacement Program......Page 420
Conclusion......Page 425
Literature Cited......Page 427
Materials and Experimental Work......Page 428
Experimental Design......Page 429
Results and Discussion......Page 431
Acknowledgment......Page 436
Literature Cited......Page 437
A......Page 438
C......Page 439
D......Page 441
E......Page 442
G......Page 443
I......Page 444
M......Page 445
P......Page 447
R......Page 449
S......Page 450
T......Page 452
W......Page 453
Z......Page 454