Correlating In-Line NIR and Off-Line MIR Spectra Using Partial Least-Squares: Further Assessment

Reshadat, Ramin; Balke, S. T.

doi:10.1366/0003702991945588

Cited by 9 publications

(7 citation statements)

References 2 publications

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“…There have been a number of on‐line IR spectroscopy applications to polymer processing. Reshadat et al,242 Apruzzese et al238 and Reshadat and Balke437 carried out a three‐part study of in‐line NIR spectroscopy monitoring of polyethylene (PE)/poly(propylene) (PP) blends. In the first part, they described the multifunctional extruder/monitor interface design and its application points (i.e.…”

Section: On‐line Sensors For Polymer Property Trajectory Monitoringmentioning

confidence: 99%

“…Different multivariate statistical approaches have been used in combination with on‐line sensors for calibration purposes such as in IR and Raman spectroscopy (see Sections 3.9.3 and 3.9.5). For instance, in the realm of Near‐ and Mid‐IR spectroscopy, Sasic et al,591 Reshadat and Balke,437 Reshadat et al,242, 250 Apruzzese et al,238 Stavropoulos et al,397 Roberge and Dube396 and Watari and Ozaki413, 592 performed calibrations using multivariate approaches. In Raman spectroscopy, Vickers et al,593 van den Brink,482 van den Brink et al,483–486 Aust et al224 and Reis et al224, 430, 436, 493, 594 have also used these approaches.…”

Section: Other Topics Related To Sensorsmentioning

confidence: 99%

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A Critical Overview of Sensors for Monitoring Polymerizations

Fonseca

Dubé

Penlidis

2009

Macro Reaction Engineering

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The available on‐line and in‐line sensor technologies developed for polymerization reactors from 1990 until today are discussed and critically reviewed. About 600 references are included, which evidence the growth in sensor technology in the last two decades. Sensors for operational parameters in polymer reactors (i.e. temperature, pressure, level and flow) as well as sensors for polymer property monitoring (i.e. calorimetry, chromatography and spectroscopy, among others) are included. Complementary topics such as state estimation, multivariate statistical methods, fault diagnosis techniques and optimal sensor selection and location are briefly covered.

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Section: On‐line Sensors For Polymer Property Trajectory Monitoringmentioning

confidence: 99%

Section: Other Topics Related To Sensorsmentioning

confidence: 99%

A Critical Overview of Sensors for Monitoring Polymerizations

Fonseca

Dubé

Penlidis

2009

Macro Reaction Engineering

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“…Here Ω 23 and Ω ∞ are measures of the second to third dimensionless virial coefficients; Ω 23 ∼ Ω ∞ in the asymptotic limit. The second term in eq 7 is only significant if A 2 ∼ 0 and the polymers are not very long, and V(c) is unity at low c, and approaches another constant value at larger c.…”

Section: General Theoretical Tdsls Signaturesmentioning

confidence: 99%

In Situ Time-Dependent Signatures of Light Scattered from Solutions undergoing Polymerization Reactions

et al. 2004

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Time-dependent static light scattering (TDSLS) signatures were used to characterize polymerization reactions in situ. The relationship between these signatures and intra-and interparticle characteristics of the growing polymer population, as the solution passes from the dilute to semidilute regime, is sought theoretically, and measured experimentally. As much information as possible is determined concerning polymer mass and polymerization kinetics. At the outset of the reactions the weightaverage molecular mass M w dominates the scattered intensity, but gives way to second and third virial coefficient (A2, A3) effects as polymer concentration increases. Since polymer mass, A2 and A3 are interrelated, it is possible to introduce plausible conversion kinetics to predict a variety of TDSLS signatures. These are calculated for free radical and controlled radical polymerization and compared to experimental TDSLS signatures for acrylamide free radical polymerization. These signatures are fit with only two eligible parameters; M w and the reaction rate constant R. Predictions concerning the evolution of Mw in a "dead-end" polymerization are also made and measured experimentally using an online monitoring method.

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“…Other methods for monitoring polymerization reactions include such in situ methods as Raman Spectroscopy, near infrared, and mid infrared 5–15…”

Section: Introductionmentioning

confidence: 99%

Simultaneous continuous, nonchromatographic monitoring and discrete chromatographic monitoring of polymerization reactions

Alb

Drenski

Reed

2009

J of Applied Polymer Sci

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Automatic continuous nonchromatographic monitoring and discrete chromatographic monitoring were coupled together for the first time and used to monitor free radical and controlled-radical polymerization reactions. This was achieved by adding a multidetector Size Exclusion Chromatography (SEC) system (alternatively termed Gel Permeation Chromatography, GPC) to the ACOMP platform (Automatic Continuous Online Monitoring of Polymerization reactions). The fact that the reactor solution is already preconditioned in the ACOMP front-end to the concentration levels used in SEC makes direct coupling possible. Kinetics from two different types of reactions, Reversible Addition Fragmentation Transfer (RAFT) and free radical polymerization of butyl acrylate were studied, including the production of a bimodal population. Complementary and contrasting features from the continuous and SEC approaches are highlighted. The main advantage of the SEC detection is to follow the evolution of full molecular weight distributions (MWD), especially in 'living' type reactions, where polydispersity decreases with monomer conversion, whereas the continuous detection provides a much more detailed characterization of the reaction. Interestingly, in the case where a bimodal molecular weight distribution was produced, the continuous method automatically detected the onset of the second mode in a model independent fashion, whereas SEC could only discern the bimodality by applying preconceived models. The SEC approach will have valuable niche applications, however, such as when reactions are relatively slow, monitoring narrow polydispersity is of primary importance, and also in copolymerization and terpolymerization reactions where complex mixtures of reagents (e.g., RAFT agents, copper ions, etc.) make unfractionated spectroscopic resolution of comonomers difficult.

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Correlating In-Line NIR and Off-Line MIR Spectra Using Partial Least-Squares: Further Assessment

Cited by 9 publications

References 2 publications

A Critical Overview of Sensors for Monitoring Polymerizations

A Critical Overview of Sensors for Monitoring Polymerizations

In Situ Time-Dependent Signatures of Light Scattered from Solutions undergoing Polymerization Reactions

Simultaneous continuous, nonchromatographic monitoring and discrete chromatographic monitoring of polymerization reactions

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