Solubility prediction of gases in polymers using fuzzy neural network based on particle swarm optimization algorithm and clustering method

A four‐layer fuzzy neural network (FNN) model combining particle swarm optimization (PSO) algorithm and clustering method is proposed to predict the solubility of gases in polymers, hereafter called the CPSO‐FNN, which combined fuzzy theory's better adaptive ability, neural network's capability of nonlinear and PSO algorithm's global search ability. In this article, the CPSO‐FNN model has been employed to investigate solubility of CO₂ in polystyrene, N₂ in polystyrene, and CO₂ in polypropylene, respectively. Results obtained in this work indicate that the proposed CPSO‐FNN is an effective method for the prediction of gases solubility in polymers. Meanwhile, compared with traditional FNN, this method shows a better performance on predicting gases solubility in polymers. The values of average relative deviation, squared correlation coefficient (R²) and standard deviation are 0.135, 0.9936, and 0.0302, respectively. The statistical data demonstrate that the CPSO‐FNN has an outstanding prediction accuracy and an excellent correlation between prediction values and experimental data. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013     

Dynamics of solvent diffusion in an aromatic polyimide

Diffusion behaviors of two polyimides (PIs) synthesized from 3,3′,4,4′-benzophenonetetracarboxylic dianhydride (BTDA), 4,4′-oxydianiline (ODA), and 4,4′-diaminodiphenylsulfone (DDS) were investigated by the gravimetric method. The weight uptake of penetrants (solvents) was nearly proportional to the exposure time in solvent. This phenomenon was considered as the Case II diffusion (non-Fickian) mechanism. Two PI films had an affinity to N-methyl-2-pyrrolidinone (NMP) rather than to dimethylsulfoxide (DMSO). The solubility parameter differences between two polyimides and NMP are less than 5, whereas that between polyimides and DMSO are greater than 5, as calculated by Hoy's group contribution method. The solvent uptake of anisotropic films contributed to an increase in the thickness. The swollen amount of anisotropic films increased with the swelling temperature but tended to decrease with the imide content and the thickness of the anisotropic films. Isotropic films of two PIs did not swell in both NMP and DMSO. © 1994 John Wiley & Sons, Inc.     

Compatibilization and morphology development of immiscible ternary polymer blends

We report a novel and effective strategy that compatibilizes three immiscible polymers, polyolefins, styrene polymers, and engineering plastics, achieved by using a polyolefin-based multi-phase compatibilizer. Compatibilizing effect and morphology development are investigated in a model ternary immiscible polymer blends consisting of polypropylene (PP)/polystyrene(PS)/polyamide(PA6) and a multi-phase compatibilizer (PP-g-(MAH-co-St) as prepared by maleic anhydride (MAH) and styrene (St) dual monomers melt grafting PP. Scanning electron microscopy (SEM) results indicate that, as a multi-phase compatibilizer, PP-g-(MAH-co-St) shows effective compatibilization in the PP/PS/PA6 blends. The particle size of both PS and PA6 is greatly decreased due to the addition of multi-phase compatibilizer, while the interfacial adhesion in immiscible pairs is increased. This good compatibilizing effect is promising for developing a new, technologically attractive method for achieving compatibilization of immiscible multi-component polymer blends as well as for recycling and reusing of such blends. For phase morphology development, the morphology of PP/PS/PA6 (70/15/15) uncompatibilized blend reveals that the blend is constituted from PP matrix in which are dispersed composite droplets of PA6 core encapsulated by PS phase. Whereas, the compatibilized blend shows the three components strongly interact with each other, i.e. multi-phase compatibilizer has good compatibilization between the various immiscible pairs. For the 40/30/30 blend, the morphology changed from a three-phase co-continuous morphology (uncompatibilized) to the dispersed droplets of PA6 and PS in the PP matrix (compatibilized).     

Co-continuous and encapsulated three phase morphologies in uncompatibilized and reactively compatibilized polyamide 6/polypropylene/polystyrene ternary blends using two reactive precursors

Phase morphology development in ternary uncompatibilized and reactively compatibilized blends based on polyamide 6 (PA6), polypropylene (PP) and polystyrene (PS) has been investigated. Reactive compatibilization of the blends has been performed using two reactive precursors; maleic anhydride grafted polypropylene (PP-g-MA) and styrene maleic anhydride copolymer (SMA) for PA6/PP and PA6/PS pairs, respectively. For comparison purposes, uncompatibilized and reactively compatibilized PA6/PP and PA6/PS binary blends, were first investigated. All the blends were melt-blended using a co-rotating twin-screw extruder. The phase morphology investigated using scanning electron microscope (SEM) and selective solvent extraction tests revealed that PA6/PP/PS blends having a weight percent composition of 70/15/15 is constituted from polyamide 6 matrix in which are dispersed composite droplets of PP core encapsulated by PS phase. Whereas, a co-continuous three-phase morphology was formed in the blends having a composition of 40/30/30. This morphology has been significantly affected by the reactive compatibilization. In the compatibilized PA6/(PP/PP–MA)/(PS/SMA) blends, PA6 phase was no more continuous but gets finely dispersed in the PS continuous phase. The DSC measurements confirmed the dispersed character of the PA6 phase. Indeed, in the compatibilized PA6/(PP/PP–MA)/(PS/SMA) blends where the PA6 particle size was smaller than 1 μm, the bulk crystallization temperature of PA6 (188 °C) was completely suppressed and a new crystallization peak emerges at a lower temperature of 93 °C as a result of homogeneous nucleation of PA6.     

Study on the microstructures and mechanical behaviour of compatibilized polypropylene/polyamide‐6 blends

A series of blends of polypropylene (PP)–polyamide‐6 (PA6) with either reactive polyethylene–octene elastomer (POE) grafted with maleic anhydride (POE‐g‐MA) or with maleated PP (PP‐g‐MA) as compatibilizers were prepared. The microstructures and mechanical properties of the blends were investigated by means of tensile and impact testing and by scanning electron microscopy and transmission electron microscopy. The results indicated that the miscibility of PP–PA6 blends was improved with the addition of POE‐g‐MA and PP‐g‐MA. For the PP/PA6/POE‐g‐MA system, an elastic interfacial POE layer was formed around PA6 particles and the dispersed POE phases were also observed in the PP matrix. Its Izod impact strength was four times that of pure PP matrix, whilst the tensile strength and Young's modulus were almost unchanged. The greatest tensile strength was obtained for PP/PA6/PP‐g‐MA blend, but its Izod impact strength was reduced in comparison with the pure PP matrix. © 2002 Society of Chemical Industry     

Electrochromism of novel triphenylamine-containing polyamide polymers

A series of novel polymers (coded as BCT-1 to BCT-6 (BTC is block triphenylamine)) based on N¹-(4-aminophenyl)-N¹-phenyl benzene-1,4-diamine, pyridine-2,6-dicarboxylic acid, 4,4′-(phenyl azanediyl)dibenzoic acid (PDA), and different diamine compounds were synthesized successfully through a polymer condensation reaction. For comparison, model polymers, BCT–2,6-pyridine dicarboxylic acid (PA) and BCT–PDA, were synthesized as well. The electrochromic properties of the BCTs were determined via an electrochemical workstation and a UV–visible spectrophotometer. Through electrooxidation, the polymer films showed reversible redox processes and steady color changes. In a comparision of the electrochromic characteristics of the BCTs, almost all the novel polymer films showed a better electrochromism stability, a higher electrochromic coloration efficiency (CE), and a more rapid switching time than BCT–PA and BCT–PDA. Among these polymers, BCT-1 exhibited the highest CE of 266.7 cm²/C, and BCT-4 showed the most rapid switching time (color switching time = 3.08 s and bleaching time = 2.01 s). © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019 , 136, 47264.     

Study of solubility and swelling ratio in polymer‐CO2 systems using the PC‐SAFT equation of state

We use the PC‐SAFT equation of state to model the solubility of CO₂ in various homopolymers. We also model the swelling ratio of the PP (polypropylene)‐CO₂ mixture using PC‐SAFT and then compare the results with Sanchez‐Lacombe (S‐L) and Simha‐Somcynsky (S‐S) equations. The results show that PC‐SAFT can describe the solubility of CO₂ in polymers very well. We compare two sets of parameters in the PC‐SAFT equation, Gross et al.'s and Chen et al.'s. As for the swelling ratio, PC‐SAFT using Chen et al. parameters is better than S‐L equation, which is commonly used by early researchers in studying the solubility of CO₂ in polymers. © 2017 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017 , 134, 44804.     

PP/PA/TPEg共混高聚物材料动态力学性能的研究

本文用霍布金生压杆装置（简称SHPB）试验技术研究了两种不同配比的PP/PA／TPEg共混高聚物材料在高应变率（10^2-10^3s^-1）下的动态力学行为。实验表明，准静态下的应力一应变曲线与高应变率下的有较大差别，其动态的杨氏模量、屈服应变随应变率的增大而增大，PP／PA共混材料是一种应变率敏感的高聚物材料。     

High‐performance soluble copolyarylate based on phenolphthalein: synthesis,characterization and properties

A series of copolyarylates (PP0–PP100) containing phthalide groups was synthesized via interfacial polymerization from a mixture of phenolphthalein (PP) and bisphenol A with molar equivalent of terephthalyl chloride. Incorporating PP into the polymer chain improved the solubility of the polyarylates in common organic solvents. The glass transition temperature (191–314 °C), residual weight percentage, Young's modulus (1.7–2.8 GPa), solubility and complex melt viscosity of the copolyarylates increased with increasing PP units in the copolymerization. By contrast, crystallinity and elongation at break (14.1 to 11.2%) of the copolyarylates decreased with increasing PP units in the polymer backbone. When the PP content increased over 30 mol% (PP30), the copolyarylates became amorphous polymers. When the PP content was below 30 mol%, the copolyarylates exhibited good melt processability. With regards to its solubility, thermal stability, mechanical properties and melt processability, PP30 may be considered as a promising candidate in the field of processable high‐performance engineering plastics. © 2019 Society of Chemical Industry     

Toughness optimization of glass‐fiber reinforced PA 6/PA 66‐based composites: Effect of matrix composition and colorants

Mixing of polyamide 6 (PA 6) and polyamide 66 (PA 66) is integrated in the trend of development of new and improved materials by combination of different polymers and some reinforcing materials to polymer composites. The specific polymer composite PA 6/PA 66 reinforced with short glass‐fibers combines the good coloring of PA 6, and the small moisture absorption of PA 66. Technical applications of PA 6/PA 66 composites are mainly used in the automotive industry. Specific requirements of this industry lead to the necessity to optimize the material resistance against crack propagation of the PA 6/PA 66 composites, using mechanical and fracture mechanical methods. So, the present investigations focus on fracture mechanics toughness optimization of the PA 6/PA 66 composites, including unstable and stable crack growth. The aim of this toughness optimization is to find out the optimal mixing ratio of PA 6/PA 66. Applications of PA 6/PA 66 in the automotive industry and specific client wishes are the main reasons for black‐coloring of the PA materials. The influence of several black‐colorants (carbon black, nigrosine, spinel, iron oxide) on mechanical and fracture mechanical properties of the PA composites is also investigated using fracture mechanical methods. As experimental fracture mechanical method, preferentially, the instrumented Charpy impact test (ICIT) and the new cut method to determine the stable crack growth of glass‐fiber reinforced materials was used. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2009     

Pan‐milling mixing – a novel approach to forming polymer blends and controlling their morphology

A novel technique (pan‐milling mixing) was developed to control the morphology and thus enhance the mechanical properties of polypropylene/polyamide 6 (PP/PA6) systems. Through pan‐milling at ambient temperature, PP/PA6 pellets of particle size 2–4 mm can be effectively pulverized to well‐mixed micrometre fine powders in the solid state. During pan‐milling of mixtures of PP and PA6, the polymer molecules undergo chain scission and form copolymers that compatibilize the two polymers in situ. By press moulding the finely mixed PP/PA6 powder obtained at a temperature between the melting points of PA6 and PP (for example 200 °C), a blend can be obtained in which the PA6 powder, retained throughout the process in the solid state, is well dispersed in the PP matrix. The mechanical properties of the system are much better than that of PP/PA6 blends prepared by common twin screw extrusion mixing and injection moulding. Tensile strengths of the fine PA6 particle filled PP/PA6 (70/30) blend is 29.3 MPa, which is 6.1 MPa higher than that of a conventionally prepared PP/PA6 blend. The Izod notched impact strength of a fine PA6 particle‐filled PP/PA6 (70/30) blend is 6.34 kJ m^?2, which is 1.72 kJ m^?2 higher than that of a conventionally prepared PP/PA6 blend. Morphological analysis shows that the domain size of PA6 in the system is much smaller than that of the PP/PA6 blend, and can be controlled by the processing conditions such as temperature. © 2001 Society of Chemical Industry     

Evolving an Accurate Decision Tree-Based Model for Predicting Carbon Dioxide Solubility in Polymers

Solubility is one of the most indispensable physicochemical properties determining the compatibility of components of a blending system. Research has been focused on the solubility of carbon dioxide in polymers as a significant application of green chemistry. To replace costly and time-consuming experiments, a novel solubility prediction model based on a decision tree, called the stochastic gradient boosting algorithm, was proposed to predict CO₂ solubility in 13 different polymers, based on 515 published experimental data lines. The results indicate that the proposed ensemble model is an effective method for predicting the CO₂ solubility in various polymers, with highly satisfactory performance and high efficiency. It produces more accurate outputs than other methods such as machine learning schemes and an equation of state approach.     

Dynamic rheological behavior of reactively compatibilized polypropylene/polyamide 6 blending melts

The dynamic rheological behavior is measured by small amplitude oscillatory shear on rotational rheometer for polypropylene/polyamide 6 (PP/PA6) blends compatibilized by a polypropylene grafted maleic anhydride (PP‐g‐MAH). Scanning electron microscope (SEM) results show that the PP/PP‐g‐MAH/PA6 (=100/6/40wt) is sea‐island structure, the PP/PP‐g‐MAH/PA6 (=100/6/60wt) blend is semi‐cocontinuous. Coarse PA6 zones can be observed when the weight ratio is 100/6/80. At low frequency the complex viscosity, dynamic modulus of the PP/PP‐g‐MAH/PA6 (PP/PP‐g‐MAH = 100/6wt) blends first increase then drop with the increase of PA6 weight content in the range of 0–100, the maximum value arrives at the weight content of 60. The Cole–Cole plots as well as the weighted relaxation spectra of the blends have a main arc and a tail when the weight ratio of PP/PP‐g‐MAH/PA6 is in the range of 100/6/20–100/6/60, but have different shapes when the weight ratio increases to 100/6/80 and 100/6/100. The possible reason is the weight ratio of 100/6/80 and 100/6/100 is close to the phase inversion point. In fitting the storage modulus data at low frequency, Palierne's model with two parameters interfacial tension and interfacial shear modulus is better than Bousmina's model. Palierne's model with only one parameter of interfacial tension can not fit the data well. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 42091.     

Facile preparation and characterization of soluble aramid

It remains a problem to prepare cost‐effective aramid with good solubility via a simple method since the commercialization of aromatic polyamides such as Kevlar and Nomex by DuPont in 1960s. Herein, we report the facile preparation and properties of an aromatic polyamide copolymerized by 2,6‐naphthalene dichloride (26N‐COCl), 4,4′‐oxydianiline, and m‐phenylenediamine. The synthetic route is very facile and cost‐effective. The modified aramids possess excellent comprehensive properties. The polymers are soluble in some organics. Their thermal stabilities are excellent, with 5% weight loss temperatures (T_d,5%'s) in air higher than 460 °C and glass transition temperatures (T_g's) higher than 280 °C. These polymers are easily processed into films, fibers, and tubes. The products exhibit high strength. For example, the films have excellent mechanical strength, with a tensile strength up to 139 MPa, a tensile modulus up to 3.45 GPa, and an elongation of 11%. The films are also transparent and fluorescent. The overall properties are better than those of the commercial Nomex. The facilely prepared aramids with good solubility are very promising for commercial use. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135, 46341.     

Characterization of melt‐compounded and masterbatch‐diluted polypropylene composites filled with several fillers

The effect of various fillers on the mechanical, barrier, and flammability properties of polypropylene (PP) was studied. PP was filled with 4 wt% of nano‐sized calcium carbonate, titanium dioxide, organoclay, and multiwalled carbon nanotube (MWCNT). For comparison, micron‐sized calcium carbonate was also studied. Two‐step masterbatch dilution approach of the composites suggested no or only minor improvements in Young's modulus and tensile yield strength, whereas their ductility decreased compared to coupling agent‐modified PP matrix. The water vapor transmission results of filled films showed increased permeability compared to their coupling agent‐modified counterpart. Oxygen permeability, however, decreased for the composites. The MWCNT‐filled matrix showed the highest barrier and fire performance, attributed mainly to its higher filler volume content, but also other reasons such as the effect of filler dispersion, composite's thermal stability, and polymer crystallinity were discussed.POLYM. COMPOS., 2013. © 2013 Society of Plastics Engineers     

Melt blending of polypropylene‐blend‐ polyamide 6‐blend‐organoclay systems

The melt blending of polypropylene‐blend‐polyamide 6‐blend‐organoclay (PP/PA6/organoclay) systems has been investigated using an internal mixer without any traditional compatibilizer. In the presence of organoclay, the melting of PA6 phase is accelerated and the dimension of the dispersed phase in the matrix is reduced. Transmission electron microscopy results reveal clay‐rich interface zones formed between the PA6 dispersed phase and the PP matrix in the PP/PA6/organoclay system. An interface blending approach has been designed to investigate the interface zones between the immiscible polymers, and the interface zones have been characterized by Fourier transform infrared and X‐ray photoelectron spectroscopy. In the presence of the organoclay, the PA6 component in interface zones is stable even after etching extraction with formic acid, suggesting a strong interaction takes place among PP, PA6 and the organoclay. Such clay‐rich interface zones act as a compatibilizer for the two immiscible polymers, resulting in a better dispersion of PA6 phase in PP matrix. Copyright © 2006 Society of Chemical Industry     

Transfer phenomena of volatile organic compounds in thermoplastic polymers and polymer blends by supercritical carbon dioxide

The low-temperature uptake of the flavouring agents limonene and vanillin from supercritical carbon dioxide (CO₂SCF) into films of a poly(ethylene terephthalate)-based copolyester (PET-G), polycaprolactam (PA6), and isotactic poly(propylene) (PP), also blended with hydrogenated oligo(cyclopentadiene) or polycaprolactam, have been investigated through thermogravimetric determination of the additive amount released in the temperature range 30–230°C. The uptake of an additive strongly depends on its relative solubility in the polymer and in CO₂SCF: limonene can easily be transferred into lipophilic PP-based and PET-G polymers, also due to the plastifying action of CO₂SCF on PET-G, while only the more polar vanillin can be taken up by hydrophilic PA6. The CO₂SCF treatment is particularly suitable for the low-temperature uptake of heat-sensitive flavours into polymeric substrates to be used in “active” packaging.     

Extension of Einstein's Law for Power‐Law Fluid to Describe a Suspension of Spherical Particles: Application to Recycled Polymer Flow

In this work, Einstein's equation is extended considering a power‐law suspending fluid without any Newtonian approximation. To validate the developed equation, an experimental setup is carried out. Polypropylene (PP) and polyethylene (PE) are injected at different volume fractions. The pressure drops measured in a cylindrical die are analyzed. The results show that the developed relationship allows better prediction of the viscosity of PP/PE blends compared to existing laws. During the recycling of PP, some pollutants are likely to be present in the polymer, mostly PE which tends to form a heterogeneous melt with PP. At low volume fractions, PE disperses mostly as solid spheres in PP due to its higher viscosity, but the viscosity of the PP/PE mixtures is hard to predict. Several studies have derived equivalent viscosity equations for dispersed spherical suspensions in shear‐thinning polymers. Nevertheless, these equations mainly refer to Einstein's equation for suspended spheres in Newtonian fluids. POLYM. ENG. SCI., 59:E387–E396, 2019. © 2019 Society of Plastics Engineers     

Morphological prediction and its application to the synthesis of polyacrylate/polysiloxane core/shell latex particles

A theoretical analysis and a morphological prediction of polyacrylate (PA)/polysiloxane (PSi) latex particles with core/shell morphologies were first conducted based on interfacial tensions and relative volumes of the two polymers in the latex system. The results indicated that the normal core/shell morphology particles (PSi/PA), with hydrophobic polysiloxane as the core and with hydrophilic polyacrylate as the shell, can be easily formed. Although the inverted core/shell morphology particles (PA/PSi) with polyacrylate as the core could not be formed in most cases, even if the fraction volume of polysiloxane was larger than 0.872, which is the smallest value of forming a PA/PSi particle, the PSi/PA particles were unavoidably formed simultaneously with PA/PSi particle formation. The synthesis of PA/PSi particles containing equal amounts of polyacrylate and polysiloxane was then carried out using seeded emulsion polymerization. Before the cyclosiloxane cationic polymerization, 3‐methacryloyloxypropyl trimethoxysilane (MATS) was introduced into the polyacrylate seed latex to form an intermediate layer and chemical bonds between the core and the shell polymers. The characterization by transmission electron microscopy (TEM) demonstrated that the perfect PA/PSi core/shell particle is successfully synthesized when both the core and the shell polymers are crosslinked. The experiments showed that both the hardness and water adsorption ratio characteristics of latex films of the PA/PSi particles are in good agreement with those of the polysiloxane film. © 2001 John Wiley & Sons, Inc. J Appl Polym Sci 80: 2251–2258, 2001     

Asphaltene/polymer composites: Morphology,compatibility, and rheological properties

In this study, we investigate the use of asphaltene, a natural waste product that is inevitably formed during heavy oil processing, as a filler in polymer composites. The focus of this work is on the compatibility of various asphaltenes, featuring different polarities, with several polymers, including polypropylene (PP), polystyrene (PS), polymethyl methacrylate (PMMA), and polycarbonate (PC). The Hansen solubility parameters were plotted to predict the compatibility of polymers with different asphaltenes. Then, polymer composites were prepared by two common techniques: melt mixing and solution mixing. The dispersion state of the asphaltenes in each polymer was investigated by using imaging and rheological techniques. This work showed that the network structure of the asphaltenes and, thus, the final properties of the composites can be controlled by the polarity of asphaltenes, mixing technique, and melt viscosity of the polymer. For instance, more polar asphaltene (Asph P) produced smaller aggregates in PMMA, which has a higher polar solubility parameter than PP or PS. At 2.5 wt.% of asphaltene, Asph P showed 26% and 177% larger asphaltene agglomerates in PP and PS, respectively, than the less polar asphaltene (Asph Al). PS/asphaltene and PMMA/asphaltene composites prepared by the solution mixing method exhibited better dispersion compared to their melt-mixed counterparts. In melt-mixed composites, the dispersion quality of the asphaltene was better for polymers with higher melt viscosity. Thus, a careful choice of polymer, asphaltene, and preparation conditions can be used to tune the properties of asphaltene/polymer composites.