Fourier transform-based deconvolution techniques for resolution of overlapping bands in x-ray photoelectron and fourier-transform infrared spectra of bisphenol-a-polycarbonate/dimethyl siloxane block copolymers

Mittlefehldt, Eric; Gardella, Joseph A.; Salvati, Lawrence

doi:10.1016/s0003-2670(00)86311-4

Cited by 12 publications

(4 citation statements)

References 8 publications

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“…We used the Igor Pro program (WaveMetrics; Lake Oswego, OR) to deconvolute the FTIR spectra into a number of Lorentzian functions. The choice of using Lorentzian peak fitting instead of Gaussian or other types is supported by previous FTIR studies. − At 0.01 M TBP, the Igor software automatically detected three peaks and produced a very poor fit to the experimental spectra (Figure S2). Therefore, it was necessary to add a fourth peak to improve the fit.…”

Section: Resultsmentioning

confidence: 98%

Quantifying Dimer and Trimer Formation of Tri-n-butyl Phosphates in Different Alkane Diluents: FTIR Study

Unangst

Nguyen

et al. 2016

J. Phys. Chem. B

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Tri-n-butyl phosphate (TBP), a representative of neutral organophosphorous metal-ion-extracting reagents, is an important ligand used in solvent extraction processes for the recovery of uranium and plutonium from spent nuclear fuel, as well as other non-nuclear applications. Ligand-ligand and organic solvent-ligand interactions play an important role in these processes. The self-association behavior of TBP in various alkane diluents of different chain lengths (8, 12, and 16 carbons) and a branched alkane (iso-octane) was investigated by Fourier transform infrared spectroscopic measurements. By careful deconvolution of the spectra into multiple peaks, our results indicate that TBP self-associates to form not only dimers, as previous studies showed, but also trimers in the practical concentration range. Using a mathematical fitting procedure, the dimerization and trimerization constants were determined. As expected, these equilibrium constants are dependent on the solvent used. As the alkane chain for linear hydrocarbon solvents becomes longer, dimerization decreases whereas trimerization increases. For the more branched hydrocarbon, we observe a significantly higher dimerization constant. These effects are most likely due to the intermolecular van der Waals interactions between the butyl tails of each TBP molecule and the diluent hydrocarbon chain as all solvents in this study are relatively nonpolar.

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Section: Resultsmentioning

confidence: 98%

Quantifying Dimer and Trimer Formation of Tri-n-butyl Phosphates in Different Alkane Diluents: FTIR Study

Unangst

Nguyen

et al. 2016

J. Phys. Chem. B

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“…This function describes the changing mass fraction of P104 with depth ( l ) and is a modified version of algorithms developed previously, − where C bulk is the bulk mass fraction of P104, C surf is the surface mass fraction of P104, H is the fraction (0 < H < 1) of C bulk located at the minimum of the function, L is the depth ( l ) where this minimum is located, S 2 is a parameter which defines the shape of the curve after the minimum, and x describes the location of the first inflection point in the graph, where the mass fraction starts to decrease to its minimum. When l is less than x , the normalized mass fraction v ( l ) is set as C surf , while after that point, v ( l ) varies with l .…”

Section: Methodsmentioning

confidence: 99%

“…This function describes the changing mass fraction of P104 with depth (l) and is a modified version of algorithms developed previously, [14][15][16][17][18][19][20][21] where C bulk is the bulk mass fraction of P104, C surf is the surface mass fraction of P104, H is the fraction…”

Section: Methodsmentioning

confidence: 99%

Phase Separation at the Surface of Poly(ethylene oxide)-Containing Biodegradable Poly(l-lactic acid) Blends

Mahoney

Fahey

et al. 2009

Langmuir

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The surface chemistry and in-depth distribution of the composition of a poly(ethylene oxide) (PEO)-containing biodegradable poly(l-lactic acid) (PLLA) blend matrix system have been investigated using X-ray photoelectron spectroscopy (XPS). This study reports detailed quantitative compositional information using a novel numerical method for determining depth profiles. The PEO system studied is an amphiphilic Pluronic P104 surfactant, PEO–b-poly(propylene oxide) (PPO)–b-PEO. The extent of phase separation is analyzed by determining the surface enrichment of the PEO component via measurement of chemical composition at the polymer–air interface. For this blend system, the combination of the PPO component in the Pluronic surfactants drives the formation of a surface excess of Pluronic in the blends with PLLA. The surface excess profile shows a rapid increase in Pluronic surface composition versus bulk Pluronic mass fractions of 1–5%, but the profile levels off above bulk Pluronic mass fractions of 5%.

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“…They compared six different apodization functions to determine the utility of Fourier deconvolution to resolve overlapped vibrational spectra. Mittlefehldt et al applied Fourier deconvolution to resolve overlapping bands in Fourier transform infrared (FTIR) spectra of bisphenol-A-polycarbonate dimethylsiloxane, block copolymers (144). To enhance the resolution of FTIR spectra of humic acid, Byler and co-workers used Fourier deconvolution and second-derivative spectroscopy (145).…”

Section: Resolutionmentioning

confidence: 99%

Chemometrics

Brown¹,

Barker²,

Larivee³

et al. 1988

Anal. Chem.

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02) Gouveia, M. A.; Seabra e Barros, J.; Tavares, M. J.; Freitas, M. C. J (G4) Routh, M. W. Spectroscopy 1987, 2, 45-52. (G5) Ottaway, J. M.; Littlejohn, D.; Marshall, J. Fortschr. Atomspektrom. (G6) Matuslewlcz, H. Chem. Inz. Chem. 1986, 76, 75-90. (G7) Willoughby, E. J. Commun. Sol Scl. Plant Anal. 1986. 77, 667-677. (G8) Sanz-Medel, A.; Rodriguez Roza, R.; Gonzalez Alonso, R.; Nova1 Valli-(G9) Kratochvil, B.; Motkosky, N.; Duke, M. J. M.: Ng., D. Can. J . Chem.the detailed discussion of computers is somewhat beyond the scone of the review as defined above. a decision was made not Steven D. Brown received his 0.5. degree in chemistry in 1972 and an M.S. in phyaC EaUnwgsnlC ChBmisbY in 1975. both from Pwtland-State Univer&, He obtained the m.D. degree in anawical chemistry from the University 01 Washlngton in 1978 working under the direction 01 Bruce KOwaiSkl. In 1978, he was appointed to the chemistry facuity at the University of California. where he held B joint appointment at the Lawrence m e l e y National Laboratory. He moved to 4 1 i Washington Slate Univer&in 1981. where he war Associate Prolesscr, prior to Ialning the chemistry faculty et the Unlverrny of Delaware In 1986. He is cunentiv AI SOCI --. --ate Professor 01 Chemistry and Operations Research. He I S also Associate Editor Of The Journal Of ChemomsWcs and serves on !he editorial boards of AnaWica Chimica Acta and Anaiyiicai Lstfers . His research interests encompass many aspects of the application Of Computers to chemical problems, including the areas Of real-time analysis, shoat ~rocesGinri. oo!imiratlan. mockling. and process control Todd 0. Barker obtained hi8 B S degree in Chemistry from the University of South Dakota in 1981 Afler working for the South Dakota Geoloaical Survev. he returned to the unker& 01 so&~Dakota. earning an M.A. in analytical chemistry in 1984. He began W.D. studies at Washington state universitv in 1984 and moved to the UniversW of &!aware in 1986 His re-, r L k search ihlere5ts include the development of Kalman finer* for reawme analysis and control and modeling 01 kinetics in flow in]ection anahsls. R a d J. LarlrN earned a B.A. deoree in chemistry from R i d e Island Coiiege in 1978. He began FhD. studies at Washington State Univerrltv ami moved to the LJniV-~~~~~ . ~. . ... ersity 01 Delaware in 1986. His research interests concern development of factor analysis methods fw investigBtion of metal speciation. S1.plrm L. Modre obtained a 0.5. degree in chembtry and computer Science from the University 01 Wisconsin-La Crasse in 1984. That year he moved to Washington State University. where he began Ph.D. studies in Chemistry. He moved lo Oehwars in 1986. where he Is now a graduate research assistant His research interests lie In dlgltal Riierlng. fuzzy matching. and rodeling. Hadan R. Wllk graduated trom Norm Carol!na State University wkh a 0.5. in chemical enginewing in 1984. After beginning his h.0. studies at Washlnglon State University. he moved I O the University Of Delaware h 19%. l i s research Werests lie in th...

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Fourier transform-based deconvolution techniques for resolution of overlapping bands in x-ray photoelectron and fourier-transform infrared spectra of bisphenol-a-polycarbonate/dimethyl siloxane block copolymers

Cited by 12 publications

References 8 publications

Quantifying Dimer and Trimer Formation of Tri-n-butyl Phosphates in Different Alkane Diluents: FTIR Study

Quantifying Dimer and Trimer Formation of Tri-n-butyl Phosphates in Different Alkane Diluents: FTIR Study

Phase Separation at the Surface of Poly(ethylene oxide)-Containing Biodegradable Poly(l-lactic acid) Blends

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