Abstract:Structure and properties of polyethylene terephthalate were characterized by SAM, Fourier transform infrared spectrometry, X-ray diffraction, and thermal analysis to evaluate the effect of supercritical CO 2 on the structural behavior. The dynamic shrinking behavior of polyethylene terephthalate was analyzed using the Kelvin-Voigt model. The results indicated that uneven and significantly different surface of the polyethylene terephthalate fiber was displayed since the spinning oil and other additives added in… Show more
“…As shown in Figure A, all PET samples exhibited the characteristic assigned vibrations for PET functional groups −OH stretch (3424 cm –1 ), CH 2 stretch (2962 cm –1 ), CH 3 stretch (2904 cm –1 ), CO stretch of carbonyl (1712 cm –1 ), CC stretch of aromatic ring (1504 cm –1 ), −CH 2 bending (1453 cm –1 ), aromatic skeleton stretch (1408 cm –1 ), C–H in-plane bend of alkyl (1338 cm –1 ), C(O)-O stretch or ring-ester C–C stretch (1238 cm –1 ), ring C–H bend in plane or ring C–C stretch (1120 cm –1 ), C–O stretch (1091 cm –1 ), ring C–H in-plane stretch (1014 cm –1 ), O–CH 2 stretch (970 cm –1 ), ring C–H out of plane bend or ring-ester C–C out of plane bend (870 cm –1 ), and ring C–H out-of-plan bend (721 cm –1 ). , However, for scCO 2 -treated PET, high energy shifts were observed which corresponded to −CH 2 bending (1453 to 1454 cm –1 ), C(O)-O stretch or ring-ester C–C stretch (1238 to 1244 cm –1 ), ring C–H in-plane stretch (1014 to 1016 cm –1 ) and C–O stretch (1091 to 1094 cm –1 ) (Figure B). These shifts can be due to the rearrangement of polymer chains during recrystallization of PET′s amorphous regions during treatment and/or cryogrinding. , Using 2D FTIR, Chen et al, reported that high energy shifts can be observed when amorphous regions are transformed into more crystalline conformation regions …”
Section: Resultsmentioning
confidence: 99%
“…These shifts can be due to the rearrangement of polymer chains during recrystallization of PET′s amorphous regions during treatment and/or cryogrinding. 58,59 Using 2D FTIR, Chen et al, reported that high energy shifts can be observed when amorphous regions are transformed into more crystalline conformation regions. 58 In addition, possible changes in chemical interactions induced by scCO 2 were studied by 1 H NMR (Figure 10).…”
Section: Effect Of Scco 2 Pretreatment Followed By Cryogrinding On En...mentioning
Enzymatic
hydrolysis of semicrystalline poly(ethylene terephthalate)
(PET) is hindered by the hydrophobic nature and crystallinity of the
substrate, and it highly depends on the available interfacial area
between substrate and aqueous phase. While most studies leverage particle
size reduction to increase interfacial area, this study investigates
the use of supercritical CO2 (scCO2) to increase
internal surface area in PET, and its impact on the enzymatic hydrolysis
yields. Our work shows that scCO2 pretreatment of semicrystalline
PET resulted in up to 2-fold higher terephthalic acid (TPA) yield
relative to the untreated counterpart using Humicola insolens cutinase (HiC) enzyme. There is a positive correlation between the
total pore surface area in the scCO2-pretreated PET samples
and the final TPA yield. In addition, preliminary kinetic studies
revealed faster initial production of TPA for scCO2-treated
PET relative to untreated PET. ScCO2-treated PET samples
showed no significant changes in the crystalline content and thermal
properties. However, NMR data indicated that scCO2-treated
PET has a slightly higher apparent number-average molecular weight
(M
n) relative to that of untreated PET.
Overall, scCO2 pretreatment led to increased semicrystalline
PET susceptibility to HiC enzyme action, resulting in increased TPA
yields.
“…As shown in Figure A, all PET samples exhibited the characteristic assigned vibrations for PET functional groups −OH stretch (3424 cm –1 ), CH 2 stretch (2962 cm –1 ), CH 3 stretch (2904 cm –1 ), CO stretch of carbonyl (1712 cm –1 ), CC stretch of aromatic ring (1504 cm –1 ), −CH 2 bending (1453 cm –1 ), aromatic skeleton stretch (1408 cm –1 ), C–H in-plane bend of alkyl (1338 cm –1 ), C(O)-O stretch or ring-ester C–C stretch (1238 cm –1 ), ring C–H bend in plane or ring C–C stretch (1120 cm –1 ), C–O stretch (1091 cm –1 ), ring C–H in-plane stretch (1014 cm –1 ), O–CH 2 stretch (970 cm –1 ), ring C–H out of plane bend or ring-ester C–C out of plane bend (870 cm –1 ), and ring C–H out-of-plan bend (721 cm –1 ). , However, for scCO 2 -treated PET, high energy shifts were observed which corresponded to −CH 2 bending (1453 to 1454 cm –1 ), C(O)-O stretch or ring-ester C–C stretch (1238 to 1244 cm –1 ), ring C–H in-plane stretch (1014 to 1016 cm –1 ) and C–O stretch (1091 to 1094 cm –1 ) (Figure B). These shifts can be due to the rearrangement of polymer chains during recrystallization of PET′s amorphous regions during treatment and/or cryogrinding. , Using 2D FTIR, Chen et al, reported that high energy shifts can be observed when amorphous regions are transformed into more crystalline conformation regions …”
Section: Resultsmentioning
confidence: 99%
“…These shifts can be due to the rearrangement of polymer chains during recrystallization of PET′s amorphous regions during treatment and/or cryogrinding. 58,59 Using 2D FTIR, Chen et al, reported that high energy shifts can be observed when amorphous regions are transformed into more crystalline conformation regions. 58 In addition, possible changes in chemical interactions induced by scCO 2 were studied by 1 H NMR (Figure 10).…”
Section: Effect Of Scco 2 Pretreatment Followed By Cryogrinding On En...mentioning
Enzymatic
hydrolysis of semicrystalline poly(ethylene terephthalate)
(PET) is hindered by the hydrophobic nature and crystallinity of the
substrate, and it highly depends on the available interfacial area
between substrate and aqueous phase. While most studies leverage particle
size reduction to increase interfacial area, this study investigates
the use of supercritical CO2 (scCO2) to increase
internal surface area in PET, and its impact on the enzymatic hydrolysis
yields. Our work shows that scCO2 pretreatment of semicrystalline
PET resulted in up to 2-fold higher terephthalic acid (TPA) yield
relative to the untreated counterpart using Humicola insolens cutinase (HiC) enzyme. There is a positive correlation between the
total pore surface area in the scCO2-pretreated PET samples
and the final TPA yield. In addition, preliminary kinetic studies
revealed faster initial production of TPA for scCO2-treated
PET relative to untreated PET. ScCO2-treated PET samples
showed no significant changes in the crystalline content and thermal
properties. However, NMR data indicated that scCO2-treated
PET has a slightly higher apparent number-average molecular weight
(M
n) relative to that of untreated PET.
Overall, scCO2 pretreatment led to increased semicrystalline
PET susceptibility to HiC enzyme action, resulting in increased TPA
yields.
“…The diffusion coefficients of water and ethanol in swollen PVA increase linearly with the degree of swelling. Shanks and Pavel [ 22 , 23 , 24 , 25 ] used MD simulation to study the diffusion of methane and other gases and small molecule penetrants in aromatic PET, amorphous PET, and isomeric PET. They found that the diffusion coefficient and free volume and its distribution are related.…”
Studying the changes in the microstructure of polyester (PET) in water and non-aqueous solvents is important to understand the swelling mechanism of PET, which can help to reduce water pollution during the dyeing process. This study uses molecular models of PET, water, and decamethyl-cyclopentasiloxane (D5) and employs molecular dynamics method to simulate the influence of solvents on the microstructure of PET. The results show that the glass transition temperature (Tg) of the pure PET system is close to the experimental value. The Tg of PET decreases with the addition of water and D5 solvents, and the free volume after adding D5 is higher compared to the free volume after adding water. Through molecular dynamics simulation of PET microstructure, it is found that D5 has a better SWELLING effect on PET than water.
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