Mathematical model of a continuous industrial high‐impact polystyrene process

Estenoz, Diana Alejandra; Meira, G. R.; Gómez, Neidi; Oliva, Haydée

doi:10.1002/aic.690440219

Cited by 42 publications

(67 citation statements)

References 39 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Termination by disproportionation and pure crosslinking of SB due to combination of butadienyl radicals are neglected. [35,[52][53][54][55][56][57][58] Comonomers, initiator, and , and B , respectively.…”

Section: Kinetic Mechanismmentioning

confidence: 99%

“…In order to avoid extremely high computational times, a simplified method that calculates a reduced number of (fictitious) species was applied to solve Equation (B29). [33][34][35][36][37] To this purpose, the distribution was discretized by adopting 1 000 species, lumping together all species that fall within a fixed chain-length interval of 250 comonomer units. Finally, the cumulative SAN grafting efficiency, average compositions of nongrafted SAN, and average molecular weights of the non-grafted SAN were calculated through Equation Table 3.…”

Section: Polymerization Modelmentioning

confidence: 99%

“…In the bulk process at relatively low monomer conversions of 0.5-2%, phase separation occurs due to the thermodynamic incompatibility between PS and PB chains. [16,[34][35][36][37][38][39][40][41] Experimental studies involving blends that emulate the bulk process have shown that low molar mass species, such as monomer, chain transfer agent, and initiators, are evenly partitioned between the phases when the system has reached thermodynamic equilibrium. [38][39][40][41] These uniform distributions have justified the use of homogeneous models at conditions where phase separation has already occurred.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

A Mathematical Model of the Bulk Copolymerization of Styrene and Acrylonitrile in the Presence of Polystyrene‐block‐Polybutadiene

Elizarrarás

Morales

León

et al. 2008

Macro Theory & Simulations

View full text Add to dashboard Cite

The bulk copolymerization of styrene and acrylonitrile in the presence of SB using BPO as initiator was investigated. Reactions were carried out at 80 °C with different initial SB concentrations. Global variables, such as conversion and cumulative grafting efficiency of SAN, were determined during the prepolymerization. The isolated non‐grafted SAN was also analyzed to determine its average molar masses and composition. A mathematical model was developed, and theoretical predictions were compared with experimental data. A good agreement between measurements and simulations was obtained from a heterogeneous model when BPO was evenly distributed between phases.magnified image

show abstract

Section: Kinetic Mechanismmentioning

confidence: 99%

Section: Polymerization Modelmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

A Mathematical Model of the Bulk Copolymerization of Styrene and Acrylonitrile in the Presence of Polystyrene‐block‐Polybutadiene

Elizarrarás

Morales

León

et al. 2008

Macro Theory & Simulations

View full text Add to dashboard Cite

show abstract

“…It is based on the global kinetic mechanism presented in Table 1. The comonomer structures are similar to the structure of styrene (St); and for this reason the standard (low temperature) kinetics of St was adopted (21), which include chemical initiation, propagation, transfer to the monomer, and termination by recombination. Since reactions were carried out at low temperature, a negligible effect is expected of the transfer to the monomer.…”

Section: Mathematical Modeling and Simulation Resultsmentioning

confidence: 99%

Synthesis of “bioinspired” copolymers: experimental and theoretical investigation on poly(vinyl benzyl thymine-co-triethyl ammonium chloride)

Casís¹,

Luciani²,

Berlanga³

et al. 2007

Green Chemistry Letters and Reviews

View full text Add to dashboard Cite

''Bioinspired'' copolymers based on vinylbenzyl thymine (VBT) and an ionically-charged monomer, such as vinylbenzyl triethylammonium chloride (VBA), were synthesized and theoretically investigated. These watersoluble copolymers are polystyrene-(PS) based, and their structure mimics DNA. In the presence of shortwavelength UV light, the thymine groups dimerize into non-toxic, environmentally benign, and biodegradable photo-resistant materials. Copolymerizations with different comonomer ratios were carried out at 658C. Samples were taken along the reactions to determine monomer conversion, chemical composition, and molecular weight distribution. While average molecular weights fall along the reaction, the average composition remains almost constant and coincident with the initial comonomer ratios, thus indicating a similar reactivity of all the comonomer radicals. A mathematical model was developed that simulates the synthesis of the base biopolymer, in the sense of predicting the evolution of the global reaction variables and molecular structure of the polymer. The termination and propagation kinetic constants were adjusted to the experimental data. The resulting values are quite different to those of a normal styrene homopolymerization, thus suggesting a noticeable effect of the solvent and the comonomer pending groups.Keywords: Biopolymer; thymine polymer; crosslinking; biomimicry IntroductionThe increasing attention directed to the environmental and toxicological implications associated with commercial materials, together with the high energy inputs required for most existing processes, suggest that environmentally-benign alternatives must be explored (1). A smart way to do this is to mimic ''mother nature'' (2). In this context, the synthetic monomer (4-vinyl benzyl) thymine (VBT) was investigated (3Á16,20). It is especially interesting for its ability to photo-crosslink upon irradiation of short UV wavelength (Â280 nm), which is present in sunlight (17,18). ''Bioinspired'' polymers containing thymine are similar to polystyrene (PS), except that thymine and charged functional groups are chemically bonded onto the base PS structure. The chemistry of crosslinking and immobilization of these bioinspired polymers has been derived from a simple photochemical transformation that occurs in nature: the 2p'2p photo-dimerization of thymine base units within DNA when exposed to UV radiation (Figure 1) (17,18).To produce water-soluble polymers, VBT can be copolymerized in a free-radical process with ionicallycharged comonomers, such as vinyl benzyl triethyl ammonium chloride (VBA), yielding (random and cationic) linear copolymers of controlled composition (Figure 2).The adaptability of VBT makes it an attractive monomer, since the balance between photoreactivity, solubility, and non-covalent interactions can be finetuned for a wide variety of applications. In addition, the existence of natural mechanisms to reverse the photo-dimerization reaction and to restore the polymers to their original state provides exciting oppor...

show abstract

“…Many papers are devoted to modeling the kinetic aspects of HIPS polymerization (Estenoz et al, 1998;Luciani et al, 2005; A,B ), although surprisingly none describes how the final HIPS properties can be related to the reaction conditions and to the characteristics of the final polymer chains. Grassi et al (2001) analyzed the influence of some operational variables on the final properties of HIPS qualitatively.…”

Section: Introductionmentioning

confidence: 99%

Influence of reaction operation conditions on the final properties of high impact polystyrene (hips)

Cunha

Costa

Nele

et al. 2013

Braz. J. Chem. Eng.

View full text Add to dashboard Cite

-The main objective of the present work is to analyze the influence of some important operational reaction parameters (agitation speed, polybutadiene -PB -content and initiator concentration) on the final properties of High Impact Polystyrene (HIPS) produced in bulk. Variable effects are analyzed both qualitatively and quantitatively with the help of a fractional factorial design. Physical, chemical and mechanical properties were evaluated through measurement of the weight-average molecular weight (M w ), polydispersity (PD), volume-average diameter of PB particles (D(4,3)) and impact strength (Izod). It was found that PD and D(4,3) depend strongly on the initiator concentration, rubber concentration and agitation speed; Mw depends on initiator and rubber concentrations; and Izod depends on the rubber concentration, PD and D(4,3) in the analyzed experimental range. As a consequence, it was shown that control of final polymer properties can be easily performed through proper manipulation of the analyzed operational variables.

show abstract

Mathematical model of a continuous industrial high‐impact polystyrene process

Cited by 42 publications

References 39 publications

A Mathematical Model of the Bulk Copolymerization of Styrene and Acrylonitrile in the Presence of Polystyrene‐block‐Polybutadiene

A Mathematical Model of the Bulk Copolymerization of Styrene and Acrylonitrile in the Presence of Polystyrene‐block‐Polybutadiene

Synthesis of “bioinspired” copolymers: experimental and theoretical investigation on poly(vinyl benzyl thymine-co-triethyl ammonium chloride)

Influence of reaction operation conditions on the final properties of high impact polystyrene (hips)

Contact Info

Product

Resources

About