|
PAGE CONTENTS
CAREER HISTORY
Dr.
Bicerano is the founder and President of Bicerano
& Associates Consulting, Inc., in Midland,
Michigan. He also holds an Adjunct Faculty appointment at the
College of Technology of Eastern Michigan
University, Ypsilanti, Michigan. He worked in the Corporate
R&D (CR&D) organization of The Dow Chemical
Company, in Midland, Michigan, from 1986 to 2004, with increasing
responsibilities and advancement up the technical career
ladder culminating in the senior technical leadership rank of
�Scientist�. His work
was also recognized within Dow Chemical with many internal awards,
including a Special Achievement Award and five Special Recognition
Awards. During his
years at Dow Chemical, Dr. Bicerano was involved both in hands-on
research and in technical leadership, focused on polymers and
composite materials. Previously, he was a Senior Research
Scientist at Energy Conversion Devices, Inc., Troy,
Michigan, from 1982 to 1986, where he worked on amorphous inorganic
materials for photovoltaic, electrical and optical switching, and
hydrogen storage applications.
Prior to
joining industry, Dr. Bicerano was a postdoctoral
research associate in Chemistry at the University of
California at Berkeley from 1981 to 1982, and a reserve officer on active duty in
the Turkish Air
Force from 1979 to 1981. He received
a Ph.D. in
Physics (with emphasis on
Chemical Physics) from Harvard University,
Cambridge, Massachusetts, in 1979; and B.A. and M.S. degrees in Chemistry
(combined honors program) from Northwestern
University, Evanston, Illinois, in 1974.
Dr. Bicerano is
best known for his book Prediction of Polymer
Properties and for the commercial SYNTHIA software
program that implements the new predictive techniques described in
this book. He is a Fellow (elected in 1996)
of the American Physical Society, and a member
of the American Chemical Society and the
Society of Plastics Engineers. He is a member
of a standards-developing body, the ASME PCC-2 Subcommittee (American Society
of Mechanical Engineers, Post Construction Committee, subgroup on
non-metallic repairs of pressure equipment and
piping). He has also served as a member on the Editorial
Board of three scientific journals (Journal of
Macromolecular Science - Polymer
Reviews, Computational and Theoretical
Polymer Science, and Soft
Materials).
Please
click on FracBlack� and Syntho-Glass XT� for examples
of major new products that Dr. Bicerano has helped two of
our clients develop.
Back to
top
EXPERTISE
Special
strength and international reputation in the understanding and
prediction of structure-processing-morphology-property-performance
relationships in polymers (thermoplastics, thermosets, and rubbers/elastomers); and in their
blends, foams, films, coatings, and composites; and of the practical
product and process implications of these complex
relationships. This expertise is based on a deep understanding
of the fundamental physics of materials so that it is not limited to
specific classes of polymers but instead capable of addressing
problems over the full range of industrial polymers. Some
of the major applications of this expertise in current consulting
practice involve working with clients to help them develop new or
improved products as well as manufacturing processes, and to
help meet their material testing and characterization needs
cost-effectively by ensuring that the most appropriate tests are
performed and the maximum amount of valuable information is
extracted from the results.
Expertise
in composites encompasses both conventional
composites and nanocomposites (composites designed for use in
applications requiring extreme or unique performance
characteristics; by �tailoring� the composition,
morphology and properties at the nanometer length scale).
It includes expertise in the prediction of properties, in
troubleshooting (helping to answer questions such as "why does this
composite not perform as expected?"), and in the conception of
approaches to improve properties and performance characteristics.
Expertise
in materials modeling and simulation was developed
through more than two decades of both hands-on work and technical
leadership (in multidisciplinary industrial research and development
environments) in the development, implementation, and application of
a broad range of polymer and composite modeling and simulation techniques.
Please send an email message to freestuff@polymerexpert.biz with "Polymer Modeling in Industry" on the subject line to
obtain a copy of a presentation by Dr. Bicerano (containing
many examples) on this subject.
Expertise
in technology assessment involves the identification
of what is really important in vast amounts of information, the
development of sound strategic and tactical recommendations, and the
presentation of the findings both in writing and orally in a
thorough, effective and timely manner. Examples of past
work of this type include studies on the science and technology of compatibilization
and impact modification of polymeric systems (polymers, blends,
composites and laminates), carbon nanotubes, nanocomposites,
dendrimers, biopolymers (polyhydroxyalkanoates), oleochemicals, and
�smart materials�.
Expertise
in technical project management manifested by many
leadership experiences at Dow Chemical; such as serving on the
CR&D nanocomposite science and technology exploration steering
team, leading the carbon nanotube opportunity assessment team,
initiating and coordinating
many multidisciplinary and multidepartmental projects, recruiting
eight new employees, informally mentoring many and formally
supervising several employees, initiating and/or monitoring external
research projects at universities and national
laboratories, initiating and/or monitoring consulting
arrangements with university professors, and serving for three years
as liaison to main supplier of commercial-quality materials
modeling software.
Expertise in
technical writing and editing manifested by
authorship of a book on polymer properties, editing of a
conference proceedings volume on amorphous materials and another
book on the computational modeling of polymers, service on the
Editorial Board of three scientific journals on polymeric materials,
and service as an Editorial Advisor in materials science and
engineering to a major technical
publisher (Marcel
Dekker, Inc.) for more than a decade. Technical writing at Dow
Chemical included many successful proposals for the funding of
work at CR&D by various product departments.
Expertise in
software development manifested in development of
commercial software for polymer modeling (released in 1993, continues to
be sold as the
SYNTHIA software
module for quantitative structure-property relationships by
Accelrys). Also led
development of additional software for
polymer and composite modeling used internally at Dow
Chemical. Now developing both "generic�
polymer and composite
modeling software and
such software customized for needs of specific clients, in
order to provide powerful and cost-effective new predictive
tools.
Back to
top
PUBLICATIONS
Authored
Book
J. Bicerano, Prediction of
Polymer Properties, revised and expanded third
edition, Marcel Dekker, New York,
2002.
Edited
Books
1. D. Adler and J. Bicerano, Proceedings of the International
Conference on the Theory of the Structures of Non-Crystalline
Solids, special volume of J. Non-Crystalline Solids, 75, North-Holland Physics
Publishing, Amsterdam, 1985.
2. J. Bicerano, Computational Modeling of
Polymers, Marcel Dekker, New York,
1992.
Scientific Papers
The
articles listed below cover thermoplastics [polycarbonates, bisphenol-A polyesters,
PET, polyethylenes, polypropylene, polyvinyls, polyvinylidenes,
polyacrylates, poly(alkyl acrylates), polyacrylamides, ABS, polyureas,
polyurethanes], thermosets (polyureas, polyurethanes, epoxies),
elastomers (thermoplastic and crosslinked, amorphous and
semicrystalline, polyurethane and polyolefin), �rigid rodlike�
(liquid crystalline) polymers, biopolymers (cellulosics), and
fillers (both conventional and nanoscale). The physical
forms of the materials
include amorphous and semicrystalline polymers, solid and molten
polymers, unmodified polymers,
polymers used as matrix materials in composites, blends, composites,
foams, gels, coatings, thin films, thick specimens,
suspensions, and solutions. These
polymers are used in a vast range of applications; including
structural, optical, electrical, electronic, automotive (ranging
from body panels to tires), aerospace, adhesion, anticorrosion,
construction, cushioning, textile, environmental, gas or liquid
barrier, selective membrane, and pharmaceutical (controlled
release). Some of the
publications address the
use of the polymers in certain applications and markets in the
context of the underlying science and technology. Because
of the restrictions
of working in industry, these publications only
reflect a small
portion of Dr. Bicerano's work. He has also worked on many
additional types of polymers, composites, applications, and
technical problems. For example,
his unpublished work includes additional types of biomaterials
[polyhdroxyalkanoates, oleochemicals, and poly(lactic acid)]. His work at Dow Chemical
resulted in more than 170 internal reports in 18
years.
1. J. Bicerano
and A. A. Frost, "FSGO Calculations of Octahydrotriborate Anion and
Tetraborane", Theoretica Chimica
Acta, 35, 81-87,
1974.
2. J.
Bicerano, D. S. Marynick and W. N. Lipscomb, "Basis Set and Electron
Correlation Effects on the Total Electron Density in H2O,
H2S, and BH", J. Am. Chem. Soc., 100, 732-739,
1978.
3. J. Bicerano,
D. S. Marynick and W. N. Lipscomb, "Large Closo Boron Hydrides",
Inorganic Chemistry, 17, 2041, 1978.
4. J. Bicerano,
D. S. Marynick and W. N. Lipscomb, "Molecular Orbital Studies on
Large Closo Boron Hydrides", Inorganic
Chemistry, 17,
3443-3453, 1978.
5. J.
Bicerano and W. N. Lipscomb, "Molecular Orbital Studies of
Nido-Beryllaboranes, B5H10BeX, Where X is
BH4, B5H10, CH3, or
C5H5", Inorganic Chemistry, 18, 1565-1571,
1979.
6. K. R.
Sundberg, J. Bicerano and W. N. Lipscomb, "Variationally
Deorthogonalized Localized Molecular Orbitals", J. Chem.
Phys., 71,
1515-1524, 1979).
7. D.
A. Kleier, J. Bicerano and W. N. Lipscomb, "Stereochemical Rigidity
and Isomerization in B4H4 and
B4F4. A Theoretical Study", Inorganic Chemistry, 19, 216-218,
1980.
8. J. Bicerano
and W. N. Lipscomb, "Molecular Orbital Studies of Azaboranes Which
Have Nitrogen in a Framework Position", Inorganic
Chemistry, 19,
1825-1827, 1980.
9. J. Bicerano,
H. F. Schaefer III and W. H. Miller, "Structure and Tunneling
Dynamics of Malonaldehyde. A Theoretical Study", J. Am. Chem. Soc., 105, 2550-2553, 1983.
10. M. E.
Colvin, R. S. Grev, H. F. Schaefer III and J. Bicerano,
"1A1, 3B1, and 1B1 Electronic States of Silylenes. Structures and Vibrational
Frequencies of SiH2, SiHF, and SiF2",
Chemical Physics Letters, 99, 399-405,
1983.
11. J. Bicerano
and S. R. Ovshinsky, "Chemical Bond Approach to the Structures of
Chalcogenide Glasses with Reversible Switching Properties", J.
Non-Crystalline Solids, 74, 75-84, 1985.
12. J. Bicerano
and S. R. Ovshinsky, "Chemical Bond Approach to Glass Structure",
J. Non-Crystalline Solids, 75, 169-175, 1985.
13. M. E. Colvin,
H. F. Schaefer III and J. Bicerano, "SiLiF: The Competition Between
Electronic Effects Favoring Singlet and Triplet Ground States.
A Case Study", J. Chem. Phys., 83, 4581-4584, 1985.
14. E.
W. Ignacio, H. B. Schlegel and J. Bicerano, "Ab Initio Calculations on (SiH3)2F+:
Stability in the Gas Phase and Model for Bridging
Fluorine Atom in Ion-Implanted Amorphous Silicon", Chemical
Physics Letters, 127, 367-373,
1986.
15. J. Bicerano
and S. R. Ovshinsky, "Chemical Bonding and the Nature of Glass
Structure", Applied Quantum Chemistry, edited
by V. H. Smith, Jr., H. F. Schaefer III and K. Morokuma, D. Reidel
Publishing Company, Holland, 1986, pp.
325-345.
16. M. E. Colvin,
J. Kobayashi, J. Bicerano and H. F. Schaefer III, "The Infrared
Spectrum of Silaethylene", J. Chem. Phys., 85, 4563-4566, 1986.
17. J. Bicerano,
J. E. Keem and H. B. Schlegel, "Theoretical Studies of Hydrogen
Storage in Binary Ti-Ni, Ti-Cu and Ti-Fe Alloys",
Theoretica Chimica Acta, 70, 265-296,
1986.
18. J. Bicerano
and D. Adler, "Theory of the Structures of Non-Crystalline Solids",
Pure and Applied Chemistry, 59, 101-144, 1987.
19. J.
Bicerano, "119Sn Electric Field Gradients in Model
Clusters of Chalcogenide Glasses", Theoretica Chimica Acta,
71, 385-400,
1987.
20. J. Bicerano
and H. A. Clark, "Intrachain Rotations in Poly(ester
carbonates). 1. Quantum Mechanical Calculations on the Model
Molecules 2,2-Diphenylpropane, Diphenyl Carbonate, and Phenyl
Benzoate", Macromolecules, 21, 585-597,
1988.
21. J. Bicerano
and H. A. Clark, "Intrachain Rotations in Poly(ester
carbonates). 2. Quantum Mechanical Calculations on Large Model
Molecules Fully Representing Each Type of Phenyl Ring Environment",
Macromolecules, 21, 597-603,
1988.
22. J. Bicerano,
"Force Field Calculations on Model Molecules Simulating Isolated
Chain Segments of Poly(vinylidene halide) and Vinylidene
Halide/Vinyl Halide Copolymers", Macromolecules, 22, 1408-1413, 1989.
23. J. Bicerano,
"Semiempirical Calculations Simulating Interacting Pairs of Chain
Segments of Poly(vinylidene halide) and Vinylidene Halide/Vinyl
Halide Copolymers", Macromolecules, 22, 1413-1418,
1989.
24. J.
Bicerano, A. F. Burmester, P. T. DeLassus and R. A. Wessling,
"Utilization of a Synergistic Combination
of Techniques, to Study the Transport of Penetrant
Molecules Through Copolymers of Vinylidene Chloride and Vinyl
Chloride", ACS
Polymer Preprints, 30 (No. 1), 11-12,
1989.
25. J. Bicerano,
A. F. Burmester, P. T. DeLassus and R. A. Wessling, "The Transport
of Penetrant Molecules Through Copolymers of Vinylidene Chloride and
Vinyl Chloride", ACS Polymer Preprints, 30 (No. 2), 25-26,
1989.
26. J. Bicerano,
A. F. Burmester, P. T. DeLassus and R. A. Wessling, "Transport of
Penetrant Molecules Through Copolymers of Vinylidene Chloride and
Vinyl Chloride Barrier Polymers and Barrier Structures", edited
by W. J. Koros, ACS Symposium Series: 423, 126-158 (Chapter 6),
1990.
27. J. Bicerano,
"A Model for Dynamic Relaxations in Amorphous Polymers. 1.
Conceptual Framework, Formal Implementation of Simplest Version, and
Application to Poly(ester carbonates)", J. Polym. Sci., Polym.
Phys. Ed., 29, 1329-1343,
1991.
28. J. Bicerano,
"A Model for Dynamic Relaxations in Amorphous Polymers. 2.
Extensions and Generalizations of Formalism and Applications to
Poly(alkyl acrylates)", J. Polym. Sci., Polym. Phys. Ed.,
29, 1345-1359,
1991.
29. J. Bicerano,
"Utilization of a Synergistic Combination of Computational
Techniques, to Study the Transport of Penetrant
Molecules Through Plastics", Computational Modeling of
Polymers, edited by J. Bicerano, Marcel Dekker,: New York,
1992, Chapter 7.
30. J. Bicerano
and H. A. Clark, "Dynamic Relaxations in Poly(ester carbonates)", Computational Modeling
of Polymers, edited by J. Bicerano, Marcel Dekker, New
York, 1992, Chapter 11.
31. J. Bicerano,
"Statistical-Thermodynamic Modeling of the Transport of Penetrants
Through Polymers: Sorption of Carbon Dioxide", Computational
Polymer Science, 2,
177-201, 1992.
32. J. Bicerano,
"A Method to Predict the Properties of Polymers", ANTEC '93
Preprints, Society of Plastics Engineers,
292-295, 1993.
33. K. Nichols,
J. Solc, M. Barger, D. Pawlowski and J. Bicerano, "The Effect of
Lamellar Injection Molding on Properties of PC/ABS Composites",
ANTEC '94 Preprints, Society of Plastics Engineers,
1433-1437, 1994.
34. J. Bicerano,
A. R. K. Ralston and D. J. Moll, "Modeling of the Transport of
Carbon Dioxide Through Polymers", ANTEC '94
Preprints, Society of Plastics Engineers, 2105-2109,
1994.
35. J. Bicerano,
"Predicting Key Polymer Properties to Reduce Erosion in Irrigated
Soil", Soil Science, 158, 255-266,
1994.
36. R. F. Harris,
J. E. Kinney, M. R. Savina, J. Bicerano and V. L. St. Jeor, "Control
of Morphology in Urea Terminated Poly(1,6-Hexamethyleneurea)
Particles", ACS Polymer Preprints, 36 (No. 1), 383-384,
1995.
37. J. Bicerano
and J. L. Brewbaker, "Micromechanical Design of Elastomers",
ANTEC '95 Preprints, Society of Plastics Engineers,
2542-2546, 1995.
38. J. Bicerano
and J. L. Brewbaker, "Reinforcement of Polyurethane Elastomers with
Microfibres Having Varying Aspect Ratios", J. Chem. Soc.,
Faraday Transactions, 91, 2507-2513,
1995.
39. R. F. Harris,
J. E. Kinney, M. R. Savina, V. L. St. Jeor, J. Bicerano, V. R.
Durvasula and L. N. Moreno, "Synthesis and Characterization of
Urea-Based Polyureas: 1. Urea-Terminated Poly(1,6-Hexamethyleneurea)
Polyol Dispersions", Polymer, 36, 4275-4285,
1995.
40. R. F. Harris,
J. E. Kinney, M. R. Savina, V. L. St. Jeor, J. Bicerano and B. G.
Landes, "Synthesis and Characterization of Urea-Based Polyureas: 2.
Morphology Control in Urea-Terminated Poly(1,6-Hexamethyleneurea)
Particles", Polymer, 36, 4683-4693,
1995.
41. J. Bicerano
and J. T. Seitz, "Molecular Origins of Toughness in Polymers", Polymer Toughening, edited
by C. B. Arends, Marcel Dekker, New York, 1996, Chapter
1.
42. J. Bicerano,
"Prediction of the Properties of Polymers from Their Structures",
J. Macromol. Sci. - Reviews, C36, 161-196,
1996.
43. J. Bicerano,
"Semicrystalline Polymer Modeling: A Case Study", ANTEC '96
Preprints, Society of Plastics Engineers, 2158-2162,
1996.
44. A. R. K. Ralston, D. D. Denton, J. Bicerano and D. J.
Moll, "Atomistic Modeling of the Interaction
of CO2 with
Bisphenol-A Polycarbonate", Computational and Theoretical Polymer Science, 6, 15-27,
1996.
45. J. Bicerano,
R. L. Sammler, C. J. Carriere and J. T. Seitz, "Correlation Between
Glass Transition Temperature and Chain Structure for
Randomly-Crosslinked High Polymers", J. Polym. Sci., Polym.
Phys. Ed., 34, 2247-2259,
1996.
46. J. Bicerano
and D. J. Moll, "Atomistic Simulation of the Enthalpy of Solution of
Small Gas Molecules in Polymers and Liquids", Computational and
Theoretical Polymer Science, 6, 117-123,
1996.
47. J. Bicerano,
N. K. Grant, J. T. Seitz and K. Pant, "Microstructural Model for
Prediction of Stress-Strain Curves of Amorphous and
Semicrystalline Elastomers", J. Polym. Sci., Polym. Phys.
Ed., 35, 2715-2739,
1997.
48. J. Bicerano,
"Chain Stiffness of Liquid Crystalline Polyesters. 1. Characteristic Ratio and
Persistence Length", Computational and Theoretical Polymer
Science, 8, 9-13,
1998.
49. J. Bicerano, J. L. Brewbaker and T. A. Chamberlin,
"Chain Stiffness of Liquid Crystalline Polyesters. 2. Radius of Gyration and
Intrinsic Viscosity", Computational and Theoretical Polymer Science, 8, 15-20,
1998.
50. J. Bicerano,
"Crystallization of Polypropylene and Poly(Ethylene Terephthalate)",
J. Macromol. Sci. - Reviews, C38, 391-479,
1998.
51. G. H.
Fredrickson and J. Bicerano, "Barrier
Properties of Oriented Disk Composites", J. Chem.
Phys., 110,
2181-2188, 1999.
52. J. Bicerano,
J. F. Douglas and D. A. Brune, "Model for the Viscosity of Particle
Dispersions", J.
Macromol. Sci. - Reviews, C39, 561-642,
1999.
53. J. M. Garc�s,
D. J. Moll, J. Bicerano, R. F. Fibiger and D. G. McLeod, "Polymeric
Nanocomposites for Automotive Applications", Advanced
Materials, 12,
1835-1839, 2000.
54. J. Bicerano,
"Glass Transition", Encyclopedia of Polymer Science and
Technology, third edition. John Wiley & Sons, New York,
published online, 2002. This article was later revised and
updated in 2006.
55. D. A. Brune
and J. Bicerano, "Micromechanics of Nanocomposites: Comparison of
Tensile and Compressive Elastic Moduli, and Prediction of Effects of
Incomplete Exfoliation and Imperfect Alignment on Modulus",
Polymer, 43,
369-387, 2002.
56. J. Moore, M.
Mazor, S. Mudrich, J. Bicerano, A. Patashinski and M. Ratner,
"Modeling Stress-Strain Up to Yield of Glassy Polymers",
ANTEC �02 Preprints, Society of Plastics Engineers, 1961-1965,
2002.
57. T. D.
Cabelka, J. D. Sweeney, K. M. Balwinski, J. Bicerano
and S. A. Mitchell, "Empirical Modeling of Tablets Containing
Hypromellose", The Dow Chemical Company, November
2003. Click
here to download (file size: 51
KB).
58. J. Bicerano,
S. Balijepalli, A. Doufas, V. Ginzburg, J. Moore, M. Somasi, S.
Somasi, J. Storer and T. Verbrugge, "Polymer Modeling at The
Dow Chemical Company", J. Macromol. Sci. - Polymer Reviews,
44, 53-85, 2004.
59. J.
Bicerano et al.,
"Flexible Polyurethane Foams", Polymeric Foams: Mechanisms and
Materials, edited by S.-T. Lee and N. S.
Ramesh, CRC Press, 2004, Chapter 6.
60. H.
J. M. Gruenbauer, J. Bicerano et al., "Rigid Polyurethane
Foams", Polymeric Foams: Mechanisms and Materials,
edited by S.-T. Lee and N. S. Ramesh, CRC Press, 2004, Chapter
7.
61. E. Pfeiffer, S. Case, J. Lesko, J. Moore, N. E.
Verghese, J. Bicerano and H. Pham, "Lifetime Prediction of Glass Fiber/DERAKANE 411-350 Composites", ANTEC �04
Preprints, Society of Plastics Engineers,
2004.
62. I. Graf,
S.
Somasi, J. Bicerano and T. D. Cabelka, "Implementation of the
'Sequential Layer' Controlled-Release Model", The Dow Chemical
Company, June 2004. Click here to download (file size: 179
KB).
63. I. Graf,
S.
Somasi, J. Bicerano and T. D. Cabelka, "Application of the
'Sequential Layer' Model to Drug-Release Profiles", The Dow Chemical
Company, July 2004. Click here to download (file size: 187
KB).
64. J.
Bicerano, �Five Key Factors That Every Polymer Blend and Blend
Compatibilization Additive Developer Must Consider�, SpecialChem,
April 2005. Click here and scroll down to Apr 13, 2005 to download
(file size: 193 KB). Registration may be required by the
SpecialChem website.
65. J. Bicerano, "A Practical Guide to Polymeric Compatibilizers for
Polymer Blends, Composites and
Laminates", SpecialChem, December 2005.
Click here and scroll down to Dec 14, 2005 to download
(file size: 858KB). Registration may be required by the
SpecialChem website.
66. A.
Patashinski, J. Moore, J. Bicerano, S. Mudrich, M. Mazor and M.
Ratner, �Stress-Biased
Rearrangements and Preyield Behavior in Glasses�, J. Phys. Chem.
B, 110, 14452-14457, 2006.
67.
V. V. Ginzburg, J. Bicerano, C. P. Christenson, A. K. Schrock and A.
Z. Patashinski, "Theoretical Modeling of the Relationship Between
Young's Modulus and Formulation Variables for Segmented
Polyurethanes", J. Polym. Sci., Polym. Phys. Ed.,
45, 2123-2135, 2007.
68.
A. C. Balazs, J. Bicerano and V. V. Ginzburg, "Polyolefin-Clay
Nanocomposites: Theory and Simulation", Polyolefin
Composites, edited by D. Nwabunma and T. Kyu, John Wiley &
Sons, Hoboken, New Jersey, 2007, Chapter
15.
69.
L. Sun, W.-J. Boo, J. Liu, A. Clearfield, H.-J. Sue, N. E. Verghese,
H. Q. Pham and J. Bicerano, "Effects of Nanoplatelets on the
Rheological Behavior of Epoxy Monomers", Macromolecular
Materials and Engineering, 294, 103-113
(2009).
70.
V. V. Ginzburg, J. Bicerano, C. P. Christenson, A. K. Schrock and A.
Z. Patashinski, "Modeling Mechanical Properties of Segmented
Polyurethanes", Nano- and Micro-mechanics of Polymer Blends
and Composites, edited by J. Karger-Kocsis and S.
Fakirov, Hanser Publishers, Munich, 2009, Chapter 2.
Patents Issued
1. 6,849,666: "Polyurethanes
Containing Dispersed Crystalline
Polyesters".
2. 7,576,227: "Integrate Chemical Processes
for Industrial Utilization of Seed Oils".
Patent Applications Filed (Patents
Pending)
1. WO01088036: "Polyurethanes Containing Reinforcing Polymers".
2. WO03093215: "Integrated Chemical Processes
for Industrial Utilization of Seed Oils".
3. U.S. 20070021309: "Thermoset
Particles with Enhanced Crosslinking, Processing for Their
Production, and Their Use in Oil and Natural Gas Drilling
Applications".
4. U.S. 20070066491: "Thermoset
Nanocomposite Particles, Processing for Their
Production, and Their Use in Oil and Natural Gas Drilling
Applications".
5. U.S. 20070161515: "Method
for the Fracture Stimulation of a Subterranean Formation Having a
Wellbore by Using Impact-Modified Thermoset Polymer Nanocomposite
Particles as Proppants".
6. U.S.
20070181302:
"Method
for the Fracture Stimulation of a Subterranean Formation Having a
Wellbore by Using Thermoset Polymer Nanocomposite Particles as
Proppants, Where Said Particles are Prepared by Using Formulations
Containing Reactive Ingredients Obtained or Derived from Renewable
Feedstocks".
7. U.S. 20070287636:
"Drilling Fluid Additive and Base Fluid Compositions of Matter
Containing B100 Biodiesels; and Applications of Such Compositions of
Matter in Well Drilling, Completion, and Workover
Operations".
8. U.S. 20090029878: "Drilling Fluid, Drill-In
Fluid, Completion Fluid, and Workover Fluid Additive Compositions
Containing Thermoset Nanocomposite Particles; and Applications for
Fluid Loss Control and Wellbore
Strengthening".
9. U.S. 20090250216: "Proppants Containing Dispersed Piezoelectric or Magnetostrictive Fillers or Mixtures thereof, to Enable Proppant Tracking and Monitoring in a Downhole Environment".
10. U.S. 20100038083: "Proppants Coated by Piezoelectric or Magnetostrictive Materials, or by Mixtures or Combinations thereof, to Enable Their Tracking in a Downhole Environment".
Back to
top
BOOK
INFORMATION
Citation
J. Bicerano, Prediction of
Polymer Properties, revised and expanded third edition, Marcel
Dekker, New York, 2002.
Book / eBook | Print Published: 08/01/2002
Hard Cover
784 pages | Illustrated
Print ISBN: 0-8247-0821-0
Reviews
Praise for previous
editions�
"�comprehensive�easy to use�.an engaging,
accessible and attractively presented book."
�Polymer
International
"�Invaluable�highly
recommended!"
�Adhesives and Sealants Newsletter
"�a very effective reference�.
"highly recommend[ed]�.a
must for every shelf."
�PolymerNews
Table of
Contents
1. Introduction
2. Topological Method
for Structure-Property Correlations
3. Volumetric
Properties
4. Thermodynamic
Properties
5. Cohesive Energy and
Solubility Parameter
6. Transition and
Relaxation Temperatures
7. Surface Tension and
Interfacial Tension
8. Optical
Properties
9. Electrical
Properties
10. Magnetic
Properties
11. Mechanical
Properties
12. Properties of
Polymers in Dilute Solutions
13. Shear
Viscosity
14. Thermal Conductivity
and Thermal Diffusivity
15. Transport of Small
Penetrant Molecules
16. Thermal
Stability
17. Extensions,
Generalizations, Shortcuts, and Possible Directions for Future
Work
18. Detailed
Examples
19. Morphologies of
Multiphase Materials
20. Properties of
Multiphase Materials
Glossary: Symbols
and Abbreviations
Appendix: Repeat Unit Molecular Weights
Index
Preface
The efficient design of new polymers for many
technological applications requires the prediction of the properties
of candidate polymers and the use of these predictions to
evaluate, screen, and help prioritize the synthesis of these candidates. The solution of these problems often requires significant
extensions of existing quantitative structure-property relationships. In particular, the candidate
polymers for advanced "high-tech" applications requiring outstanding performance characteristics often contain exotic
structural units for which the simple additive (group contribution) techniques cannot be applied. Some of the required group
contributions to the physical properties are often not available, and there are no experimental data to use in
estimating these missing group contributions. This limitation is inherent to group contribution methods and unavoidable
in applying such methods to truly novel types of
structures.
This difficulty was overcome in 1989 by developing a
method in which many properties are expressed in terms of topological variables (connectivity indices) combined
with geometrical variables and/or other structural descriptors used to obtain refined correlations. The remaining properties are
calculated from relationships that express them in terms of the properties being calculated by using the
topological variables. This method enabled the prediction of the properties of all polymers of interest, without being
limited by the absence of the group contributions for the structural fragments from which a polymeric repeat unit is
built. It was
equivalent to the prediction of the properties by the summation of additive contributions mainly over atoms and bonds
instead of groups. The
values of these atom and bond contributions were dependent on the environment of each atom and bond
in a particularly simple relationship.
The relationships developed in this work therefore
enabled their users to transcend the limitations of traditional group contribution techniques in predicting the properties of
polymers. Our work owed
much, however, to the solid foundation of earlier quantitative structure-property relationships
in polymers, developed over many decades by the meticulous efforts of many researchers. In particular, much of the
information provided in D. W. van Krevelen's classic textbook, Properties of Polymers (whose third and last edition was published by Elsevier, Amsterdam,
in 1990) was extremely valuable in our work.
The new methodology was tested extensively in practical
work at The Dow Chemical Company. It was found to be able to predict the properties of novel polymers as accurately
and reliably as can be reasonably expected from any scheme based on simple quantitative structure-property
relationships. The only
computational hardware required to perform these calculations
is a good hand calculator. The method was, nonetheless,
automated by implementation in a simple interactive computer program (SYNTHIA). This software implementation has enabled its much easier use,
especially by non-specialists. It has thus resulted in much greater efficiency as well as
significantly reducing the possibility of human error.
The use of this computer program involves simply drawing
the structure(s) of the repeat unit(s), specifying the calculation temperature (and also the mole fractions or weight
fractions of the repeat units for copolymers), and asking the
program for the predicted values of the properties. In addition, this program
allows the user to obtain graphs of many of the predicted properties as a function of the temperature; and, for copolymers,
also as a function of the composition. This computer program is available from Accelrys, Inc., in San Diego, California, USA, to
which it has been licensed for commercialization by
Dow.
At the core of this book is the new scheme of
quantitative structure-property relationships developed in the
course of the author�s work, as summarized
above. However, as
described below, the book has evolved significantly since its first edition was
published a decade ago.
The first edition (1993) was essentially a research
monograph describing the new method. It was written mainly to
help scientists and engineers working on applied problems in polymer
science and technology in the chemical and plastics industries. Secondary objectives included providing detailed
information that could serve as starting points for fundamental research on polymer properties, as well as serving as an auxiliary
textbook to help teach students at both the undergraduate and graduate levels how to calculate the industrially important
properties of polymers. A highly empirical approach was used throughout the first edition. Fundamental considerations were often deliberately not
addressed in detail, to avoid lengthy digressions from the main theme and the very practical focus of the research
monograph.
The commercial successes of both the book and the SYNTHIA
software program, as well as the positive feedback which the author received directly from many readers of the book
and many users of the software, provided the encouragement needed to develop first the revised and expanded second edition
of the book (1996), and now this completely revised third
edition.
Some of the revisions in each new edition are direct
improvements and/or extensions of the methods developed earlier to predict the physical properties of polymers. Other revisions consist of
more detailed background information and discussion on the topics covered by the book, including extensive
tabulations of additional experimental data and literature
references. Some revisions involve mainly the reorganization of the material
discussed in a given chapter in a manner which may facilitate comprehension. Revisions and extensions were made to increase the utility of the
book as a research monograph presenting a new method to calculate polymer properties, while also making it much more self-contained
to encourage its extensive use as both a general reference and a textbook. The third edition takes a major step forward in the
expansion of the breadth of the scope of the book. While still keeping simple quantitative structure-property relationships for amorphous polymers
at its core, it now also covers a broad range of topics at the frontiers of
polymer modeling. These �frontier� areas include multiscale modeling, and methods for predicting the morphologies and the
properties of interfaces and of multiphase materials. It is hoped that, especially
with its significant expansion in scientific scope to
cover state-of-the-art methods based on fundamental physics, readers will find this third edition useful in their work as a far more
comprehensive resource for the predictive modeling of polymers than the previous two editions.
Back to
top
Please see
also information about each of our consultants.
Call Bicerano & Associates
Consulting, Inc. at (989)631-9237
or use
our online form or email us at
info@polymerexpert.biz today!
Back to
top
About Us | Home Page | Consultants
Copyright � 2004 by Bicerano & Associates
Consulting, Inc. All
rights
reserved.
|
