Viscosity of ionic liquids: Database,observation, and quantitative structure‐property relationship analysis

Viscosity data for ionic liquids (ILs) are needed for the theoretical study on viscosity or for the design/development of industrial process that involves ILs; understanding the relationship between ionic structure and viscosity is also desired to more rationally design and synthesize ILs with ideal viscosity. A database for the viscosity of pure ILs and their binary/ternary mixtures with molecular compounds is created by performing a comprehensive collection from published scientific literature sources worldwide covering the period from 1970 to 2009. In this database, there are 5046 data entries, 696 ILs, 306 cations, and 138 anions. Following the database, a direct observation of the effects of ionic structure along with temperature, pressure, and impurity on the viscosity is summarized, and a quantitative structure‐property relationship (QSPR) correlation is performed to understand the viscosity at a micro‐electronic or molecular level. Through direct observation and QSPR, the relationship between ILs structure and viscosity is addressed. © 2011 American Institute of Chemical Engineers AIChE J, 2012     

Processing‐structure‐property relationship in rigid polyurethane foams

Rigid polyurethane (PU) foam is used as a thermal insulating and supporting material in domestic refrigerator/freezers and it is produced by reaction injection molding (RIM) process. There is a need to improve the thermal property of rigid PU foam but this is still a challenging problem. Accordingly, this work investigates the RIM process parameters to evaluate their effects on rigid PU foam's structure and hence property. It has been found that mold temperature is a key parameter whereas curing time has negligible effect on structure of PU foam. Cell size, strut thickness, and foam density have been found very critical in controlling the thermal and mechanical properties. Upper and lower values of 30 to 32 kg/m³ density are critical to observe contribution of radiation and solid conductivity separately. Finally, PU foam with 160 µm average cell size, 16 µm strut thickness, below 10% open cell content, and 30 to 32 kg/m³ density allow obtaining better thermal insulation without significant reducing in the compressive strength. The presented work provides a better understanding of processing‐structure‐property relationship to gain knowledge on producing high‐quality rigid PU foams with improved properties. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017 , 134, 44870.     

The structure‐property relationship of novolac cured epoxy resin/clay nanocomposites

Intercalated or exfoliated novolac cured epoxy resin nanocomposites were prepared with two different kinds of layered silicates – montmorillonite (PK‐802) and nontronite (PK‐805). The bifunctional modifiers (PI/BEN or MI/BEN) are used to modify the clays for improvement of the properties of polymer where benzalkonium chloride (BEN) acts as a compatibilizing agent and 2‐phenylimidazole (PI) or 2‐methylimidazole (MI) as the accelerators. Both the compatibilizer and accelerator are simultaneously intercalated into the gallery space of pure clays to form the modified clay. The novolac cured epoxy nanocomposites are prepared with these modified clays by crosslinking polymerization reaction. The properties of novolac cured epoxy/clay nanocomposites were characterized by wide‐angle X‐ray diffraction (WAXD), thermo‐gravimetric analysis (TGA), dynamic mechanical analysis (DMA), and transmission electron microscopy (TEM) methods. According to the measurement, these novolac cured epoxy‐clay nanocomposites have been shown the significant improvement in the thermal, mechanical, and barrier properties that may be applied to make printed circuit board. POLYM. ENG. SCI., 2008. © 2008 Society of Plastics Engineers     

Process–structure–property relationship in ternary short‐glass‐fiber/elastomer/polypropylene composites

Short‐glass‐fiber (SGF)‐reinforced polypropylene (PP) composites toughened with a styrene/ethylene butylene/styrene (SEBS) triblock copolymer were injection molded after extrusion. Furthermore, a maleic anhydride (MA)‐grafted SEBS copolymer (SEBS‐g‐MA) was used as an impact modifier and compatibilizer. The effects of the processing conditions and compatibilizer on the microstructure and tensile and impact performance of the hybrid composites were investigated. In the route 1 fabrication process, SGF, PP, and SEBS were blended in an extruder twice, and this was followed by injection molding. In route 2, or the sequential blending process, the elastomer and PP were mixed thoroughly before the addition of SGF. In other words, either PP and SEBS or PP and SEBS‐g‐MA pellets were premixed in an extruder. The produced pellets were then blended with SGF in the extruder, and this was followed by injection molding. The SGF/SEBS‐g‐MA/PP hybrid fabricated by the route 2 process exhibited the highest modulus, yield stress, tensile stress at break, Izod impact energy, and Charpy drop weight impact strength among the composites investigated. This was due to the formation of a homogeneous SEBS elastomeric interlayer at the SGF and matrix interface of the SGF/SEBS‐g‐MA/PP hybrid. This SEBS rubbery layer enhanced the interfacial bonding between SGF and the matrix of the SGF/SEBS‐g‐MA/PP hybrid. The correlations between the processing, microstructure, and properties of the hybrids were investigated. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 88: 1384–1392, 2003     

Defect structure‐electrical property relationship in Mn‐doped calcium strontium titanate dielectric ceramics

Ca_0.6Sr_0.4TiO₃ (CST) ceramics with different amounts of Mn dopant (0‐2.0 mol%) were prepared by solid‐state reaction method. The electric field and temperature stability of energy storage performance was found to be greatly enhanced with moderate doped level of 0.5 mol%. The dielectric loss‐frequency spectra revealed the existence and evolution of defect dipoles at elevated temperature, which was confirmed directly by electron paramagnetic resonance (EPR) spectra. The response of defect dipoles was characterized by thermally stimulated depolarization current (TSDC), where the activation energy and the concentration evolution of defect dipoles were calculated, with the highest values observed for 0.5% doped samples. The dissociation of defect dipoles and the movement of free were analyzed by high‐temperature impedance spectra analysis, with the activation energy of 1.04‐1.60 eV, and 0.5% doped samples also demonstrated the highest E_a. The relationship between microscopic defect structure and macroscopic electrical behavior was established in this work.     

Thermal stability of structural one‐component polyurethane adhesives for wood—structure‐property relationship

The relationship between the chemical structure of commercial polyurethanes and temperature‐dependent creep properties was determined in full scale tests and the results were compared with thermomechanical analysis. Comparison of mechanical performance with ¹³C‐NMR spectroscopy studies elucidated important structure‐property relationships, which either allow the reduction or elimination of temperature‐dependent creep in one‐component polyurethanes (1C‐PUR) adhesives for wood. The combination of the relative content of still reactive, free ? NCO groups on the polyurethane, careful selection of the degree of resin polymerization and a slower rate of reaction are the three most significant parameters that have to be controlled to overcome the problem of temperature‐dependent creep found in 1C‐PUR adhesives. The results obtained indicate that adhesives presenting a combination of a higher content of still unreacted ? NCO groups, a lower degree of polymerization and slower reaction rate are capable to counteract problems of high sensitivity of polyurethane to temperature‐dependent creep. Two commercial polyurethanes that fulfil the latter requirements and exhibit almost no creep were identified and characterized. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 102: 5698–5707, 2006     

Recent advances in the synthesis and structure–property relationships of ammonium ionenes

Ionenes are ion-containing polymers that have quaternary nitrogen atoms in the macromolecular main chain as opposed to a pendant site. They are synthesized through a Menshutkin reaction of ditertiary amines and alkyl dihalides. This review focuses on the synthesis and structure–property relationships of ammonium ionenes, which were first synthesized in 1933. Since then, many researchers have investigated the effect of charge density of novel ionene families on polymer properties, such as viscosity and dynamic mechanical behavior. In particular, emphasis is placed on the properties of non-segmented and segmented ionene polymers. Although this investigation focuses largely on linear ionenes, branched and cross-linked ionenes will also be discussed.     

Characterization and structure–property relationship of chemical oxidative polymerization of poly(para‐hydroquinone)

Poly(para‐hydroquinone) (PPHQ) was prepared by chemical oxidation reaction using titanium tetrachloride (TiCl₄) as an oxidant. Solid‐state nuclear magnetic resonance (CPMAS ¹³C‐NMR), infrared absorption, optical absorption, thermal analysis (TGA and DTA), and electron paramagnetic resonance techniques were used to characterize the obtained PPHQ polymer. The correlation between different experimental results justifies the chemical structure and proves the vibrational and optical properties of this polymer. Theoretical calculations based on ab initio density functional theory and semiempirical Austin Model 1 methods were accomplished to elucidate the structure–property relationship of PPHQ polymer. From oligomer 8‐hydroquinone, we have predicted the experimentally observed results. This oligomer is considered as model structure, which reproduces the PPHQ polymer characteristics and elucidates the TiCl₄ effect on the properties of the polymer under study. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010     

Effect of compatibilizer on the structure‐property relationships of kenaf‐fiber/polypropylene composites

Although lignocellulosic, fiber‐thermoplastics composites have been used for several decades, recent economic and environmental advantages have resulted in significant commercial interest in the use of these fibers for several applications. Kenaf is a fast growing annual growth plant that is harvested for its bast fibers. These fibers have excellent specific properties and have potential to be outstanding reinforcing fillers in plastics. This paper reports the structure‐property relationships of kenaf fiber reinforced polypropylene (PP) and its impact copolymers. The use of maleated polypropylenes (MAPP) is important to improve the compatibility between the fiber and matrix. A significant improvement in impact strengths was observed when the MAPP was used in the composites. Results also indicate that the impact copolymer blends with coupling agent have better high temperature moduli and lower creep compliance than the uncoupled systems. The coupling agent also changes the crystallization and melting behavior of these blends. Because of the better adhesion between the polymer molecules and kenaf fibers, the coupled samples have more restricted molecules than the uncoupled blends. As a result, the crystallization of the coupled high molecular weight blends is slower than the uncoupled blends, resulting in a lower crystallization temperature (T_c) and reduced crystallinity. For the lower molecular weight blends, the coupling agent enhances the crystallization of polymer matrix and results in a higher crystallization temperature and increased crystallinity of the coupled blend. The coupled blends also have more defects in the polymer crystals, and the crystallinity of coupled blends is also lower than the uncoupled blends. This could explain the lower melting temperatures of the coupled samples as compared to uncoupled samples.     

Thermoplastic vibration welding: Review of process phenomenology and processing–structure–property interrelationships

Vibration welding offers a robust method for physically joining thermoplastics to fabricate complex hollow assemblies from simpler injection‐molded articles without using an external heat source, adhesives, or mechanical fasteners. Vibration welding involves a complex interplay of several phenomena—solid (Coulomb) friction, melting, high strain‐rate, pressure‐driven, strong (high‐strain) melt flows, solidification, and microstructure development—which ultimately govern the strength and integrity of the weld. Defects in the weld region may lead to catastrophic failure of the welded assembly. In this article, the current understanding of the processing–structure–property relationships in the context of vibration welding of thermoplastics and polymer‐matrix composites is reviewed. Experimental as well as analytical methods of investigation of the vibration welding process phenomenology are presented. The interrelationships between the microstructure in the weld region and the resulting weld strength and fatigue behavior are then discussed in the light of this phenomenological information for neat polymers, filled polymers, polymer blends, and foams. This review is also aimed at identifying the areas requiring further investigation with regard to understanding vibration welding phenomenology and weld structure–property relationships. POLYM. ENG. SCI., 2011. © 2010 Society of Plastics Engineers     

Preparation of novel CNSL‐based urethane polyol via nonisocyanate route: Curing with melamine‐formaldehyde resin and structure–property relationship

In this study, we report preparation of a novel cashew nut shell liquid (CNSL)‐based polyol bearing urethane groups. The urethane group in the polyol was induced via isocyanate free route from the reaction of cyclic carbonate with primary amine. The polyol was characterized by determination of hydroxyl number, Fourier transform infrared spectroscopy, nuclear magnetic resonance spectroscopy, and so forth. The polyol was then used as coating component and cured with hexamethoxy methylene melamine (HMMM). Another CNSL‐based polyol without urethane moiety from our earlier reported work was used for preparation of coating for comparative study to determine the effect of urethane group on the coating properties. The coating formulations based on these two polyols were cured with variable amounts of HMMM hardener to optimize coating properties. All the coatings were evaluated for mechanical properties such as adhesion, flexibility, pencil and scratch hardness, impact resistance, pull‐off, and adhesion. The optimized coatings were also evaluated for chemical and thermal properties. It was observed that the urethane containing polyol resulted in better adhesion to the metal substrate at higher quantity of HMMM hardener compared to the other polyol providing significant improvement in various coating properties. The final coating properties were also compared with the acrylic polyurethane coatings. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41391.     

Crystalline/crystalline polymer blends: Some structure–property relationships

Mechanical properties, morphology, and compatibility of polybutene-1 blended with polypropylene, both crystallizable polymers, are described in the present study. Blends of various compositions were studied using tensile tests, differential scanning calorimetry, wide-angle x-ray diffractometry, and optical microscopy. A discussion on the state of compatibility and structure–property relationships for such blends in presented.     

Processing‐structure‐property relationships in solid‐state shear pulverization: Parametric study of specific energy

Solid‐state shear pulverization (SSSP) is a unique processing technique for mechanochemical modification of polymers, compatibilization of polymer blends, and exfoliation and dispersion of fillers in polymer nanocomposites. A systematic parametric study of the SSSP technique is conducted to elucidate the detailed mechanism of the process and establish the basis for a range of current and future operation scenarios. Using neat, single component polypropylene (PP) as the model material, we varied machine type, screw design, and feed rate to achieve a range of shear and compression applied to the material, which can be quantified through specific energy input (E_p). As a universal processing variable, E_p reflects the level of chain scission occurring in the material, which correlates well to the extent of the physical property changes of the processed PP. Additionally, we compared the operating cost estimates of SSSP and conventional twin screw extrusion to determine the practical viability of SSSP. POLYM. ENG. SCI., 2012. © 2012 Society of Plastics Engineers     

Synthesis and structure–property of polyamide 6/Macrogol/attapulgite nanocomposites

Polyamide 6/Macrogol/attapulgite (PA6/PEG/AT) nanocomposites were synthesized by the two‐step‐melt polymerization method, in which firstly PA6/AT oligomer was prepared through in‐site polymerization and then the corresponding nanocomposite was synthesized by the block copolymerization between PA6/AT hard segment and Macrogol (PEG) soft segment. Additionally, PA6/PEG/AT nanofibers were made. The results demonstrated that the AT added into the PA6/PEG system promoted the heterogeneous nucleation, and thus increased the crystallizability. And with the increase in AT content, the crystallization temperature, the temperature of thermal decomposition and mechanical intensity of nanocomposites all increased; and meanwhile both the elasticity, and the melting drip and smog from burning PA6/PEG/AT fibers obviously decreased. Then nanocomposites with lower AT content possessed higher elasticity and better dispersion of the filler. Thus, heat‐resistant and flame retardant composites with high intensity or high elasticity can be prepared by means of adjusting the right proportion of PA6, AT, and PEG. POLYM. COMPOS., 35:1852–1857, 2014. © 2014 Society of Plastics Engineers     

Reactive extraction of diols with phenyl boronic acid and trioctylmethylammonium chloride as coextractants and quantitative structure–property relationship of their extraction behaviors

BACKGROUND: Diols that can be produced biologically have attracted much attention because of the increased cost of producing them chemically. The cost of separating the diols from the broth forms a major part of the total cost of microbial production. Reactive extraction using organoboronate is one promising method for recovering diols from the dilute aqueous solution. RESULTS: A basic investigation of solvent extraction of diols was conducted at 303 K employing phenylboronic acid and trioctylmethylammonium chloride as coextractants in the mixed solvent. Both the tetrahedral boronate anion complex and trigonal boronate neutral complex were extracted. 1,3‐diols and vicinal diols were extracted, but 1,4‐diol was not extracted. Extraction equilibrium constants were correlated with the enthalpies of formation of the complexes, which were calculated by molecular modeling with semi‐empirical molecular orbital calculations considering the solvent effect. CONCLUSION: The complex extraction behaviour of diols with phenylboronic acid and quaternary ammonium salt can be predicted by using the quantitative structure–property relationship (QSPR). Copyright © 2009 Society of Chemical Industry     

Effect of multiwall carbon nanotube and au nanoparticle on the structure–property relationship of poly(N‐isopropyl acrylamide)

Temperature‐sensitive poly(N‐isopropyl acrylamide) (PNIPAAm) was synthesized both in the presence and absence of nanomaterials like allyl mercaptan decorated gold nanoparticle and allyalcohol‐conjugated multiwall carbon nanotube. The influence of the nanomaterials on the structure–property relationship of PNIPAAm was analyzed and critically compared to the pristine PNIPAAm. During the in situ polymerization, the nanosphere shape of Au nanoparticle was converted into Au nanorod shape, which was confirmed through UV–vis spectroscopy. The glass transition temperature (T_g) of polymer/nanocomposites was greater than that of the pristine polymer. Thermogravimetric analysis declared that the polymer/nanocomposites exhibited higher thermal stability than the homopolymer. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012