Showing papers on "Terephthalic acid published in 2010"

Molecular characterization of urban organic aerosol in tropical India: contributions of primary emissions and secondary photooxidation

Abstract: . Organic molecular composition of PM10 samples, collected at Chennai in tropical India, was studied using capillary gas chromatography/mass spectrometry. Fourteen organic compound classes were detected in the aerosols, including aliphatic lipids, sugar compounds, lignin products, terpenoid biomarkers, sterols, aromatic acids, hydroxy-/polyacids, phthalate esters, hopanes, Polycyclic Aromatic Hydrocarbons (PAHs), and photooxidation products from biogenic Volatile Organic Compounds (VOCs). At daytime, phthalate esters were found to be the most abundant compound class; however, at nighttime, fatty acids were the dominant one. Di-(2-ethylhexyl) phthalate, C16 fatty acid, and levoglucosan were identified as the most abundant single compounds. The nighttime maxima of most organics in the aerosols indicate a land/sea breeze effect in tropical India, although some other factors such as local emissions and long-range transport may also influence the composition of organic aerosols. However, biogenic VOC oxidation products (e.g., 2-methyltetrols, pinic acid, 3-hydroxyglutaric acid and β-caryophyllinic acid) showed diurnal patterns with daytime maxima. Interestingly, terephthalic acid was maximized at nighttime, which is different from those of phthalic and isophthalic acids. A positive relation was found between 1,3,5-triphenylbenzene (a tracer for plastic burning) and terephthalic acid, suggesting that the field burning of municipal solid wastes including plastics is a significant source of terephthalic acid. Organic compounds were further categorized into several groups to clarify their sources. Fossil fuel combustion (24–43%) was recognized as the most significant source for the total identified compounds, followed by plastic emission (16–33%), secondary oxidation (8.6–23%), and microbial/marine sources (7.2–17%). In contrast, the contributions of terrestrial plant waxes (5.9–11%) and biomass burning (4.2–6.4%) were relatively small. This study demonstrates that, in addition to fossil fuel combustion and biomass burning, the open-burning of plastics in urban area also contributes to the organic aerosols in South Asia.

Synthesis, Structure, Characterization, and Redox Properties of the Porous MIL‐68(Fe) Solid

Abstract: A new porous Fe III -based MOF, formulated Fe(OH)(BDC)• (dmf) x with x ≈ 1.1 and presenting the MIL-68 topology, was prepared by reaction of an iron(III) salt and terephthalic acid (H 2 BDC) in N,N'-dimethylformamide (dmf) under acidic conditions. The structure and properties of this solid were studied by means of X-ray diffraction, thermogravimetric analysis, nitrogen sorption, 57 Fe Mossbauer spectrometry, and electrochemical lithium insertion.

Series of Ag(I) Coordination Complexes Derived from Aminopyrimidyl Ligands and Dicarboxylates: Syntheses, Crystal Structures, and Properties

Abstract: A series of new metal−organic frameworks, namely, [Ag(mapym)(suc)0.5·0.5H2O]n (1), [Ag2(mapym)2(glu)·1.5H2O]n (2), [Ag2(mapym)2(ipa)·2H2O]n (3), [Ag2(mapym)2(tpa)(H2O)]n (4), [Ag(dmapym)2(ox)0.5·H2O] (5), and [Ag(dmapym)(bbdc)0.5·0.5H2O]n (6) (mapym = 2-amino-4-methylpyrimidine, dmapym = 2-amino-4,6-dimethylpyrimidine, H2suc = succinic acid, H2glu = glutaric acid, H2ipa = isophthalic acid, H2tpa = terephthalic acid, H2ox = oxalic acid, H2bbdc = 4,4-bibenzenedicarboxylic acid), have been synthesized and structurally characterized. Complexes 1 and 2 exhibit two-dimensional (2D) interpenetrated and double-sheet structures, respectively. Complex 3 is a three-dimensional (3D) framework constructed through unusual 2D → 3D parallel interpenetration of a corrugated 2D 44-sql net. Complex 5 is a 0-dimensional (0D) H-shaped molecule, and the self-complementary N−H···N hydrogen bonds incorporating R44(14) hydrogen bond motifs extend these molecules into a 3D supramolecular framework. Complexes 4 and 6 are also 2D sh...

Integrated process to selectively convert renewable isobutanol to p-xylene

Abstract: The present invention is directed to a method for preparing renewable and relatively high purity p-xylene from biomass For example, biomass treated to provide a fermentation feedstock is fermented with a microorganism capable of producing a C4 alcohol such as isobutanol, then sequentially dehydrating the isobutanol in the presence of a dehydration catalyst to provide a C4 alkene such as isobutylene, dimerizing the C4 alkene to a form one or more C8 alkenes such as 2,4,4-trimethylpentenes or 2,5-dimethylhexene, then dehydrocyclizing the C8 alkenes in the presence of a dehydrocyclization catalyst to selectively form renewable p-xylene in high overall yield The p-xylene can then be oxidized to form terephthalic acid or terephthalate esters

Modeling the Self-Assembly of Benzenedicarboxylic Acids Using Monte Carlo and Molecular Dynamics Simulations

Abstract: We present a theoretical modeling study of self-assembly of molecules into two-dimensional (2D) hydrogen-bonded networks. We compare two computational techniques, molecular dynamics (MD) and Monte Carlo (MC) calculations, in order to find out whether these computational techniques are efficient in modeling the process of self-assembly and in predicting the ordered supramolecular structures. Terephthalic acid, isophthalic acid, and phthalic acid, which have been widely studied experimentally, are used as test systems. According to both computational techniques, terephthalic acid molecules form ordered structures made of parallel molecular chains (same as observed in experiment) at high surface coverage, whereas less symmetric isophthalic and phthalic acid molecules mostly form disordered arrangements of zigzag chains or long isolated zigzag chains. Both computational techniques reproduce the supramolecular structure of terephthalic acid, the most symmetric of these molecules. However, MD simulations are mo...

Structural Modulation and Properties of Silver(I) Coordination Frameworks with Benzenedicarboxyl Tectons and trans-1-(2-Pyridyl)-2-(4-pyridyl)ethylene Spacer

Abstract: A series of silver(I) coordination polymers have been synthesized by the combination of an extended 2,4′-bipyridyl linker trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene (bpe) and different benzenedicarboxyl tectons, including isophthalic acid (H2ip), 5-sulfoisophthalic acid (H3sip), terephthalic acid (H2tp), 2-aminoterephthalic acid (H2ata), and 2-bromoterephthalic acid (H2bta). Single-crystal X-ray diffraction indicates that the structural patterns of these polymeric complexes diversify from two-dimensional (2-D) (3,4,5)-connected (for 2) or 63 (for 3 and 4) layers to three-dimensional (3-D) (10,3)-b (for 1) or 8-nodal self-penetrating (for 5) networks. Interestingly, the AgI centers can show various coordination spheres such as linear, trigonal, tetrahedral, and square-pyramidal geometries. The results clearly reveal that the dicarboxyl building blocks with different dispositions of the carboxyl sites and uncoordinated substituent groups, are the crucial factors for structural assemblies of such extended fra...

Carbohydrate route to para-xylene and terephthalic acid

Abstract: Catalytic processes for the conversion of 2,5-dimethyl furan (DMF) to para-xylene are described. Para-xylene is a key product that is currently obtained commercially from petroleum sources. However, it has now been determined that the cycloaddition of ethylene to DMF provides an alternative route to para-xylene. Advantageously, the DMF starting material for the processes may be synthesized from carbohydrates (e.g., glucose or fructose), thereby providing a pathway that relies at least partly, if not completely, on renewable feedstocks.

Bio-based polyethylene terephthalate packaging and method of making thereof

Abstract: This invention relates to a method of making a bio-based PET packaging and particularly to a method of producing a bio-based PET from at least one bio-based material comprising: a) forming at least one PET component from at least one bio-based material, wherein the at least one PET component is selected from a monoethylene glycol ("MEG"), a terephthalic acid ("TA"), and combinations thereof; (b) processing said bio-based PET component into a bio-based PET.

Polyester resin and method for preparing the same

Abstract: A polyester resin copolymerized with isosorbide and 1,4-cyclohexane dimethanol and having an improved impact strength, and a method for preparing the same are disclosed. The copolymerized polyester resin has an alternating structure of acid moieties which are derived from acid components and diol moieties which are derived from diol components, wherein the acid components comprise terephthalic acid, and the diol components comprise (i) 5 ~ 99 mol% of 1,4-cyclohexanedimethanol and (ii) 1 ~ 60 mol% of isosorbide with respect to the total diol components.

Novel Inherently Flame-Retardant Poly(trimethylene Terephthalate) Copolyester with the Phosphorus-Containing Linking Pendent Group

Abstract: A novel phosphorus-containing copolyester, poly(trimethylene terephthalate)-co-poly(trimethylene DDP)s (PTTP), was synthesized through esterification and polycondensation of terephthalic acid (TPA), 1,3-propane diol (PDO), and 9,10-dihydro-10-[2,3-di(hydroxycarbonyl)propyl]-10-phospha-phenanthrene-10-oxide (DDP). The analysis of phosphorus content and the test of intrinsic viscosity indicated that DDP was successfully introduced to the poly(trimethylene terephthalate) (PTT) chain. The chemical structure of the resulting copolyesters was further confirmed by 1H NMR and 31P NMR. The thermal behaviors were investigated by differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA), and it was shown that the introduction of DDP lowered the melting temperature and crystallization because of its bulky pendent groups and decreased the initial decomposition temperature in the nitrogen atmosphere due to its weak P−C bond. The flame retardant properties of the resulting copolyesters were characteri...

Metal Organic Frameworks Assembled from Y(III), Na(I), and Chiral Flexible-Achiral Rigid Dicarboxylates

Abstract: New chiral metal organic frameworks, assembled from Y(III), Na(I), and chiral flexible-achiral rigid dicarboxylate ligands, formulated as [NaY(Tart)(BDC)(H2O)2] (1) and [NaY(Tart)(biBDC)(H2O)2] (2) (H2Tart = Tartaric acid; H2BDC = Terephthalic acid; H2biBDC = Biphenyl-4,4′-dicarboxylic acid), were obtained as single phases under hydrothermal conditions Their structures were solved by single-crystal X-ray diffraction (XRD), and characterized by 13C CPMAS NMR, thermal analyses (thermogravimetry-mass spectrometry (TG-MS) and differential scanning calorimetry (DSC)), and X-ray thermodiffractometry Both compounds crystallize in the orthorhombic chiral space group C2221 with a = 68854(2) A, b = 303859(7) A, c = 74741(2) A for 1, and a = 68531(2) A, b = 390426(8) A, c = 74976(2) A for 2 1 and 2 are layered structures whose three-dimensional stability is ensured by strong hydrogen bond interactions The dehydration of both compounds is accompanied by phase transformation, while the spontaneous rehydratio

Molding compound on the basis of a copolyamide containing terephthalic acid and trimethylhexamethylene diamine units

Abstract: A molding compound, containing at least 30% by weight of a copolyamide, which is derived from the following monomers: a) 50 to 95 mole percent of the combination of a diamine, selected from the group consisting of 1,9-nonane diamine, 1,10-decane diamine, 1,11-undecane diamine and 1,12-dodecane diamine, and terephthalic acid, and b) 5 to 50 mole percent of the combination of a diamine, selected from the group consisting of 2,2,4-trimethylhexamethylene diamine, 2,4,4-trimethylhexamethylene diamine, and mixtures thereof, and terephthalic acid. The copolyamide is crystalline and has low water absorption.

Partially aromatic moulding masses and their applications

Abstract: Polyamide molding composition comprises: (a) 30-100 wt.% of a partially aromatic, partially crystalline copolyamide composed of 72-98.3 wt.% of diacid consisting of terephthalic acid and/or naphthalenedicarboxylic acid, 28-1.7 wt.% of isophthalic acid, and 100 wt.% of diamine fraction composed of 51-80 wt.% of 1,6-hexanediamine, and 20-49 wt.% of aliphatic unbranched 9-12C-diamine; (b) 0-70 wt.% of fillers and reinforcing materials; (c) 0-25 wt.% of flame retardants; and (d) 0-5 wt.% of additives.

Multicomponent Hydrogen-Bonding Salts Constructed from Tris(2-benzimidazylmethyl)amine and Various Carboxylic Acids: Role of Benzimidazolium-Carboxylate Supramolecular Heterosynthons on Network Assembly

Abstract: A survey of the Cambridge Structural Database (CSD) indicates that 79% of complexes that contain both imidazole and carboxyl groups generate imidazolium-carboxylate supramolecular heterosynthons rather than carboxyl or imidazole supramolecular homosynthons. In the absence of other competing factors, the occurrence of such heterosynthons is increased to 100%. This observation is further supported by the crystal structures of seven new complexes that contain tris(2-benzimidazylmethyl)amine (TBMA) and a variety of carboxylic acids, including benzoic acid (HBA), p-methoxybenzoic acid (HPMBA), phthalic acid (H2PA), terephthalic acid (H2TPA), isophthalic acid (H2PIA), trimesic acid (H3TMA), and pyromellitic acid (H4PMA). In all seven complexes, (H2TBMA)·(BA)2·DMF (1), (HTBMA)·(PMBA)·(TBMA)·(HPMBA)2·2DMF·H2O (2), (HTBMA)·(H2TBMA)·(HPA)·(PA)·3DMF·H2O (3), (HTBMA)2·(TPA)·2DMF (4), (HTBMA)2·(PIA)·2DMF (5), (H2TBMA)·(HTMA)·0.5DMF·H2O (6), and (HTBMA)2·(H2PMA)·2DMF·H2O (7), proton transfer occurs from acid to aromati...

Polyesters for coatings

Abstract: The present invention relates to polyesters that can be prepared from renewable resources and/or recycled materials, to their use and their production process. In particular there are provided hydroxyl-functional or carboxyl-functional polyesters comprising moieties of (e) terephthalic acid and/or isophthalic acid, (f) ethylene glycol, (g) a dianhydrohexitol, and of (h) one or more linear chain dicarboxylic acids; wherein the polyester has a number average molecular weight, as measured by gel permeation chromatography, of from 400 to 15000 daltons, more preferably from 550 to 15000 daltons. Polyesters of the invention can basically be prepared from recycled polyethylene terephthalate and from renewable polyacids and/or polyols. The present invention further provides a process to produce such polyesters via glycolysis of a polyethylene terepthalate and/or a polyethylene isophthalate with a dianhydrohexitol.

Acetic acid production from biomass pyrolysis

Abstract: Methods are disclosed for producing, from renewable carbon sources, acetic acid in an economical manner. In particular, these methods are directed to the separation and recovery of acetic acid as a substantial product (e.g., as much as 5% by weight or more) of biomass pyrolysis. For a given commercial biomass pyrolysis unit, the acetic acid yield can represent a significant quantity of that used in a major industrial applications such as purified terephthalic acid (PTA) production. According to some embodiments, pyrolysis conditions and/or flow schemes advantageously improve the recovery of acetic acid for a given purity level.

Salt resistant polyamide compositions

Abstract: Polyamides made from 1,6-hexanediamine, and the dicarboxylic acids 1,10-decandioic acid, 1,12-dodecanedioic acid, or 1,14-tetradecanedioic acid and terephthalic acid in specified proportions are particularly resistant to salt stressed (induced) corrosion cracking. This makes them particularly useful as vehicular parts which may be exposed to salts. Particularly when these polyamides contain tougheners and/or plasticizers they are especially useful for hoses and tubes.

Aerobic Oxidation of p-Toluic Acid to Terephthalic Acid over T(p-Cl)PPMnCl/Co(OAc)2 Under Moderate Conditions

Abstract: The aerobic oxidation of p-toluic acid to terephthalic acid over tetra(p-chlorophenylporphinato)manganese (T(p-Cl)PPMnCl)/cobalt acetate was reported for the first time. The co-catalysis of T(p-Cl)PPMnCl/Co(OAc)2 was also studied. The studies indicated that the PTA oxidation was influenced by the catalyst composition, catalyst concentrations and reaction conditions. A preliminary mechanism of this co-catalyzed oxidation reaction was proposed based on experimental observations. The aerobic oxidation of PTA to TPA over T(p-Cl)PPMnCl/Co(OAc)2 was reported for the first time, and the co-catalysis of T(p-Cl)PPMnCl/Co(OAc)2 for aerobic oxidation of PTA to TPA was also studied. A preliminary mechanism for the PTA oxidation over T(p-Cl)PPMnCl/Co(OAc)2 was proposed based on the experiment results.

Biodegradable aliphatic/aromatic copolyesters based on terephthalic acid and poly(L-lactic acid): Synthesis, characterization and hydrolytic degradation

Abstract: Biodegradable aliphatic/aromatic copolyesters, poly(butylene terephthalate-co-lactate) (PBTL) were prepared via direct melt polycondensation of terephthalic acid (TPA), 1,4-butanediol (BDO) and poly(L-lactic acid) oligomer (OLLA). The effects of polymerization time and temperature, as well as aliphatic/aromatic moiety ratio on the physical and thermal properties were investigated. The largest molecular weight of the copolyesters was up to 64100 with molecular weight distribution index of 2.09 when the polycondensation was carried out at 230°C for 6 h. DSC, XRD, DMA and TGA analysis clearly indicated that the degree of crystallinity, glass-transition temperature, melting point, decomposition temperature, tensile strength, elongation and Young’s modulus were influenced by the ratio between TPA and OLLA in the final copolyesters. Hydrolytic degradation results demonstrated that the incorporation of biodegradable lactate moieties into the aromatic polyester could efficiently improve hydrolytic degradability of the copolymer even though it still had many aromatic units in the main chains.

Adhesives and sealants comprising ester based on 2-propylheptanol

Abstract: The invention relates to an adhesive or sealant comprising (A) at least one compound selected from the group of polyurethanes, polyureas, polyacrylates, aqueous polyacrylates, silicones, polysulfides, silylated polyureas, silylated polyethers, silylated polysulfides, and silyl-terminated acrylates, and (B) at least one ester of an aliphatic or aromatic di or tricarboxylic acid having a C10 alcohol compound of 2-propylheptanol or of a C10 alcohol mixture of 2-propylheptanol and at least one of the C10 alcohols 2-propyl-4-methyl-hexanol, 2-propyl-5-methyl-hexanol, 2-isopropyl-heptanol, 2-isopropyl-4-methyl-hexanol, 2-isopropyl-5-methyl-hexanol and/or 2-propyl-4,4-dimethyl-pentanol. The aliphatic or aromatic di or tricarboxylic acid is selected from the group of citric acid, phthalic acid, isophthalic acid, terephthalic acid, and trimellitic acid, and the adhesive or sealant comprises no benzoic acid isononylester. The invention further relates to a method for producing the adhesive or sealant and the use thereof for adhesively bonding joined parts.

Preparation and structure of triorganotin, triorganolead and tetraphenylantimony derivatives of acetylenedicarboxylic acid, terephthalic acid and dithioterephthalic acid

Abstract: Triorganotin, triorganolead and tetraphenylantimony derivatives of acetylenedicarboxylic acid (H2ADC), terephthalic acid (H2TER) and dithioterephthalic acid (H2DTT) (R3M)2X (M = Sn, Pb; R = Me, Ph; X = ADC, TER, DTT) and (Ph4Sb)2X (X = ADC, TER) were prepared by neutralization of R3MOH or Ph4SbOH with the appropriate acid (X = ADC, DTT) or by reaction of R3MCl or Ph4SbCl with K2TER. The crystal structures of (Me3Sn)2ADC and (Me3Sn)2TER were determined by X-ray diffraction. The Sn atoms are in slightly distorted trigonal-bipyramidal environments, with C(Me) in the equatorial plane and O(carboxyl) in apical positions. The carboxylate groups are bridging, leading to the formation of a two-dimensional polymer of puckered 22-membered [(Me3Sn)2ADC] and 26-membered [(Me3Sn)2TER] rings. From vibrational spectra, analogous structures are inferred for solid (Ph3Sn)2ADC, (R3Pb)2ADC (R = Me, Ph), and (Me3Pb)2TER, but structures with unidentate - COO and - COS groups and tetracoordinated Sn or Pb and pentacoordinated Sb are proposed for the other compounds. The DTT ligands are linked by S bonds to M. According to IR and 1H NMR studies the polymeric species dissociate on dissolution so that generally species with unidentate carboxylate groups are present. Sn and Pb in (R3M)2X (X = ADC, TER) are apparently tetracoordinated in CHCl3, but pentacoordinated in DMSO by addition of a solvent molecule.

Kinetics and Modeling of Melt Polycondensation for Synthesis of Poly[(butylene succinate)‐co‐(butylene terephthalate)], 1 – Esterification

Abstract: The kinetics of the tetrabutyl titanate-catalyzed homogeneous succinic acid/1,4-butylenediol (BDO) and heterogeneous terephthalic acid/BDO esterifications were investigated experimentally and theoretically. A unified kinetic model considering two main esterifications as well as one reversible polycondensation and two THF-forming side reactions has been developed for the two esterifica- tion systems. The model agrees well with the experimental results. The effects of reaction temperature, diol/diacid ratio, catalyst amount, and heterogeneity on the esterification kinetics are simulated and discussed.

Terephthalic and trimellitic based acids and carboxylate derivatives thereof

Abstract: The present invention relates to novel substituted and unsubstituted terephthalic acid and carboxylate derivatives and products prepared therefrom having a significant renewable content The invention also relates to processes for preparing substituted and unsubstituted terephthalic and carboxylate derivatives thereof wherein a portion of the starting materials utilized is derived from renewable resources The invention also relates to novel cyclohexene based intermediates prepared in these processes and to conversion of these intermediates to substituted and unsubstituted cyclohexane-1,4-dicarboxylates and carboxylate derivatives thereof and novel forms of the resulting products having renewable content The invention also relates to products prepared from substituted and unsubstituted terephthalic acid and carboxylate derivatives thereof derived from starting materials derived from renewable resources