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Sample records for amorphous polymer solution

  1. The adsorption of surfactant at the amorphous polymer solution interface

    CERN Document Server

    Gilchrist, V A

    2001-01-01

    Adsorption of surfactants onto amorphous polymers at the solid-solution interface is of direct relevance to many industrial sectors ranging from food, pharmaceuticals, paints, paper and photographic colour films. Although it is widely accepted that surfactants play the underpinning role in these applications, little is currently understood about the interactions between surfactants and polymeric materials at the molecular level. This lack of progress is mainly due to the inability of most existing techniques in probing this type of structural information at the wet interface. Specular neutron reflection (SNR) is a recently developed technique capable of detecting structural information with resolution down to a few angstroms (A). When combined with deuterium labeling, it is possible to distinguish the surfactant from the polymeric species at the interface. The aim of this work is to explore the appropriate experimental approach that utilizes the potential of neutron reflection to unravel molecular information...

  2. Unusual photoanisotropic alignment in amorphous azobenzene polymers

    DEFF Research Database (Denmark)

    Ramanujam, P.S.

    2015-01-01

    It is well known that irradiation of azobenzene polymer films between 490 and 530nm results in alignment of molecules perpendicular to the polarization of the incident beam. I have recently found that irradiation of amorphous azobenzene polymers with linearly polarized light at wavelengths between...

  3. Polymer incorporation method affects the physical stability of amorphous indomethacin in aqueous suspension

    DEFF Research Database (Denmark)

    Surwase, S A; Itkonen, L; Aaltonen, J;

    2015-01-01

    This study reports the potential of different polymers and polymer incorporation methods to inhibit crystallisation and maintain supersaturation of amorphous indomethacin (IND) in aqueous suspensions during storage. Three different polymers (poly(vinyl pyrrolidone) (PVP), hydroxypropyl methylcell...... and polymer incorporation method strongly impact amorphous form stability and drug supersaturation in aqueous suspensions....... of polymer incorporation. All the polymers (with both incorporation methods) inhibited crystallisation of the amorphous IND. The SDs were better than the predissolved polymer solutions at inhibiting crystallisation. The SDs were also better at maintaining drug supersaturation. SP showed a higher IND...... crystallisation inhibition and supersaturation potential than the other polymers. However, this depended on the method of addition. IND in SD with SP did not crystallise, nor did the SD generate any drug supersaturation, whereas IND in the corresponding predissolved SP solution crystallised (into the recently...

  4. Magnetoimpedance of cobalt-based amorphous ribbons/polymer composites

    Science.gov (United States)

    Semirov, A. V.; Derevyanko, M. S.; Bukreev, D. A.; Moiseev, A. A.; Kudryavtsev, V. O.; Safronov, A. P.

    2016-10-01

    The combined influence of the temperature, the elastic tensile stress and the external magnetic field on the total impedance and impedance components were studied for rapidly quenched amorphous Co75Fe5Si4B16 ribbons. Both as-cast amorphous ribbons and Co75Fe5Si4B16/polymer amorphous ribbon based composites were considered. Following polymer coverings were studied: modified rubber solution in o-xylene, solution of butyl methacrylate and methacrylic acid copolymer in isopropanol and solution of polymethylphenylsiloxane resin in toluene. All selected composites showed very good adhesion of the coverings and allowed to provide temperature measurements from 163 K up to 383 K under the applied deforming tensile force up to 30 N. The dependence of the modulus of the impedance and its components on the external magnetic field was influenced by the elastic tensile stresses and was affected by the temperature of the samples. It was shown that maximal sensitivity of the impedance and its components to the external magnetic field was observed at minimal temperature and maximal deforming force depended on the frequency of an alternating current.

  5. Polymer incorporation method affects the physical stability of amorphous indomethacin in aqueous suspension.

    Science.gov (United States)

    Surwase, S A; Itkonen, L; Aaltonen, J; Saville, D; Rades, T; Peltonen, L; Strachan, C J

    2015-10-01

    This study reports the potential of different polymers and polymer incorporation methods to inhibit crystallisation and maintain supersaturation of amorphous indomethacin (IND) in aqueous suspensions during storage. Three different polymers (poly(vinyl pyrrolidone) (PVP), hydroxypropyl methylcellulose (HPMC) and Soluplus® (SP)) were used and included in the suspensions either as a solid dispersion (SD) with IND or dissolved in the suspension medium prior to the addition of amorphous IND. The total concentrations of both IND and the polymer in the suspensions were kept the same for both methods of polymer incorporation. All the polymers (with both incorporation methods) inhibited crystallisation of the amorphous IND. The SDs were better than the predissolved polymer solutions at inhibiting crystallisation. The SDs were also better at maintaining drug supersaturation. SP showed a higher IND crystallisation inhibition and supersaturation potential than the other polymers. However, this depended on the method of addition. IND in SD with SP did not crystallise, nor did the SD generate any drug supersaturation, whereas IND in the corresponding predissolved SP solution crystallised (into the recently characterised η polymorphic form of the drug) but also led to a more than 20-fold higher IND solution concentration than that observed for crystalline IND. The ranking of the polymers with respect to crystallisation inhibition potential in SDs was SP≫PVP>HPMC. Overall, this study showed that both polymer type and polymer incorporation method strongly impact amorphous form stability and drug supersaturation in aqueous suspensions. PMID:26092472

  6. Cyclic behaviors of amorphous shape memory polymers.

    Science.gov (United States)

    Yu, Kai; Li, Hao; McClung, Amber J W; Tandon, Gyaneshwar P; Baur, Jeffery W; Qi, H Jerry

    2016-04-01

    Cyclic loading conditions are commonly encountered in the applications of shape memory polymers (SMPs), where the cyclic characteristics of the materials determine their performance during the service life, such as deformation resistance, shape recovery speed and shape recovery ratio. Recent studies indicate that in addition to the physical damage or some other irreversible softening effects, the viscoelastic nature could also be another possible reason for the degraded cyclic behavior of SMPs. In this paper, we explore in detail the influence of the viscoelastic properties on the cyclic tension and shape memory (SM) behavior of an epoxy based amorphous thermosetting polymer. Cyclic experiments were conducted first, which show that although the epoxy material does not have any visible damage or irreversible softening effect during deformation, it still exhibits obvious degradation in the cyclic tension and SM behaviors. A linear multi-branched model is utilized to assist in the prediction and understanding of the mechanical responses of amorphous SMPs. Parametric studies based on the applied model suggest that the shape memory performance can be improved by adjusting programming and recovery conditions, such as lowering the loading rate, increasing the programming temperature, and reducing the holding time. PMID:26924339

  7. Cyclic behaviors of amorphous shape memory polymers.

    Science.gov (United States)

    Yu, Kai; Li, Hao; McClung, Amber J W; Tandon, Gyaneshwar P; Baur, Jeffery W; Qi, H Jerry

    2016-04-01

    Cyclic loading conditions are commonly encountered in the applications of shape memory polymers (SMPs), where the cyclic characteristics of the materials determine their performance during the service life, such as deformation resistance, shape recovery speed and shape recovery ratio. Recent studies indicate that in addition to the physical damage or some other irreversible softening effects, the viscoelastic nature could also be another possible reason for the degraded cyclic behavior of SMPs. In this paper, we explore in detail the influence of the viscoelastic properties on the cyclic tension and shape memory (SM) behavior of an epoxy based amorphous thermosetting polymer. Cyclic experiments were conducted first, which show that although the epoxy material does not have any visible damage or irreversible softening effect during deformation, it still exhibits obvious degradation in the cyclic tension and SM behaviors. A linear multi-branched model is utilized to assist in the prediction and understanding of the mechanical responses of amorphous SMPs. Parametric studies based on the applied model suggest that the shape memory performance can be improved by adjusting programming and recovery conditions, such as lowering the loading rate, increasing the programming temperature, and reducing the holding time.

  8. Lyophilization monophase solution technique for preparation of amorphous flutamide dispersions.

    Science.gov (United States)

    Elgindy, Nazik; Elkhodairy, Kadria; Molokhia, Abdallah; Elzoghby, Ahmed

    2011-07-01

    Flutamide (FLT) is a poorly soluble anticancer drug. Therefore, lyophilized dispersions (LDs) of FLT with polyvinylpyrrolidone (PVP) K30, polyethylene glycol (PEG) 6000, and pluronic F127 were prepared via lyophilization monophase solution technique with the aim of increasing its dissolution rate. FLT showed an A(L)-type phase solubility diagrams with PVP and PEG, whereas A(N)-type diagram was obtained with pluronic. The amount of residual tertiary butyl alcohol, determined by gas chromatography, was 0.015-0.021% w/w. Differential scanning calorimetry and X-ray diffractometry revealed that FLT-polymer 1:1 LDs were partially amorphous, whereas the 1:3 and 1:5 LDs were completely amorphous. After 6 months storage, polymers under study inhibited FLT recrystallization maintaining its amorphous form. The particle size of FLT-polymer LDs was between 0.81 and 2.13 μm, with a high surface area (268.43-510.82 m²/g) and porosity (354.01-676.23 e⁻³ mL/g). Also, the poor flow properties of FLT could be improved but to a limited extent. FLT dissolution was significantly enhanced with the fastest dissolution that was achieved using pluronic. After 30 min, about 66.52%, 78.23%, and 81.64% of FLT was dissolved from 1:5 FLT-PVP, PEG, and pluronic LDs, respectively, compared with only 13.45% of FLT. These data suggest that these polymers might be useful adjuncts in preparation and stabilization of amorphous immediate-release FLT LDs.

  9. Migration of Cations and Anions in Amorphous Polymer Electrolytes

    Institute of Scientific and Technical Information of China (English)

    N.A.Stolwijk; S.H.Obeidi; M.Wiencierz

    2007-01-01

    1 Results Polymer electrolytes are used as ion conductors in batteries and fuel cells.Simple systems consist of a polymer matrix complexing an inorganic salt and are fully amorphous at the temperatures of interest.Both cations and anions are mobile and contribute to charge transport.Most studies on polymer electrolytes use the electrical conductivity to characterize the ion mobility.However,conductivity measurements cannot discriminate between cations and anions.This paper reports some recent results fr...

  10. Enhanced Physical Stability of Amorphous Drug Formulations via Dry Polymer Coating.

    Science.gov (United States)

    Capece, Maxx; Davé, Rajesh

    2015-06-01

    Although amorphous solid drug formulations may be advantageous for enhancing the bioavailability of poorly soluble active pharmaceutical ingredients, they exhibit poor physical stability and undergo recrystallization. To address this limitation, this study investigates stability issues associated with amorphous solids through analysis of the crystallization behavior for acetaminophen (APAP), known as a fast crystallizer, using a modified form of the Avrami equation that kinetically models both surface and bulk crystallization. It is found that surface-enhanced crystallization, occurring faster at the free surface than in the bulk, is the major impediment to the stability of amorphous APAP. It is hypothesized that a novel use of a dry-polymer-coating process referred to as mechanical-dry-polymer-coating may be used to inhibit surface crystallization and enhance stability. The proposed process, which is examined, simultaneously mills and coats amorphous solids with polymer, while avoiding solvents or solutions, which may otherwise cause stability or crystallization issues during coating. It is shown that solid dispersions of APAP (64% loading) with a small particle size (28 μm) could be prepared and coated with the polymer, carnauba wax, in a vibratory ball mill. The resulting amorphous solid was found to have excellent stability as a result of inhibition of surface crystallization. PMID:25902736

  11. Enhanced Physical Stability of Amorphous Drug Formulations via Dry Polymer Coating.

    Science.gov (United States)

    Capece, Maxx; Davé, Rajesh

    2015-06-01

    Although amorphous solid drug formulations may be advantageous for enhancing the bioavailability of poorly soluble active pharmaceutical ingredients, they exhibit poor physical stability and undergo recrystallization. To address this limitation, this study investigates stability issues associated with amorphous solids through analysis of the crystallization behavior for acetaminophen (APAP), known as a fast crystallizer, using a modified form of the Avrami equation that kinetically models both surface and bulk crystallization. It is found that surface-enhanced crystallization, occurring faster at the free surface than in the bulk, is the major impediment to the stability of amorphous APAP. It is hypothesized that a novel use of a dry-polymer-coating process referred to as mechanical-dry-polymer-coating may be used to inhibit surface crystallization and enhance stability. The proposed process, which is examined, simultaneously mills and coats amorphous solids with polymer, while avoiding solvents or solutions, which may otherwise cause stability or crystallization issues during coating. It is shown that solid dispersions of APAP (64% loading) with a small particle size (28 μm) could be prepared and coated with the polymer, carnauba wax, in a vibratory ball mill. The resulting amorphous solid was found to have excellent stability as a result of inhibition of surface crystallization.

  12. Superior electric storage on an amorphous perfluorinated polymer surface.

    Science.gov (United States)

    Fukuhara, Mikio; Kuroda, Tomoyuki; Hasegawa, Fumihiko; Sueyoshi, Takashi

    2016-01-01

    Amorphous perfluoroalkenyl vinyl ether polymer devices can store a remarkably powerful electric charge because their surface contains nanometre-sized cavities that are sensitive to the so-called quantum-size effect. With a work function of approximately 10 eV, the devices show a near-vertical line in the Nyquist diagram and a horizontal line near the -90° phase angle in the Bode diagram. Moreover, they have an integrated effect on the surface area for constant current discharging. This effect can be explained by the distributed constant electric circuit with a parallel assembly of nanometre-sized capacitors on a highly insulating polymer. The device can illuminate a red LED light for 3 ms after charging it with 1 mA at 10 V. Further gains might be attained by integrating polymer sheets with a micro-electro mechanical system. PMID:26902953

  13. Superior electric storage on an amorphous perfluorinated polymer surface

    Science.gov (United States)

    Fukuhara, Mikio; Kuroda, Tomoyuki; Hasegawa, Fumihiko; Sueyoshi, Takashi

    2016-02-01

    Amorphous perfluoroalkenyl vinyl ether polymer devices can store a remarkably powerful electric charge because their surface contains nanometre-sized cavities that are sensitive to the so-called quantum-size effect. With a work function of approximately 10 eV, the devices show a near-vertical line in the Nyquist diagram and a horizontal line near the -90° phase angle in the Bode diagram. Moreover, they have an integrated effect on the surface area for constant current discharging. This effect can be explained by the distributed constant electric circuit with a parallel assembly of nanometre-sized capacitors on a highly insulating polymer. The device can illuminate a red LED light for 3 ms after charging it with 1 mA at 10 V. Further gains might be attained by integrating polymer sheets with a micro-electro mechanical system.

  14. Thermal transitions of the amorphous polymers in wheat straw

    DEFF Research Database (Denmark)

    Stelte, Wolfgang; Clemons, Craig; Holm, Jens K.;

    2011-01-01

    determined at 2, −1 and 5 °C, respectively. Differences are likely due to different compositions of lignin and hemicelluloses from straw and spruce and structural differences between the raw materials. The high wax content in wheat straw resulted in a transition at about 40 °C which was absent in solvent......The thermal transitions of the amorphous polymers in wheat straw were investigated using dynamic mechanical thermal analysis (DMTA). The study included both natural and solvent extracted wheat straw, in moist (8–9% water content) and dry conditions, and was compared to spruce samples. Under...

  15. Solution assembly of conjugated polymers

    Science.gov (United States)

    Bokel, Felicia A.

    This dissertation focuses on the solution-state polymer assembly of conjugated polymers with specific attention to nano- and molecular-scale morphology. Understanding how to control these structures holds potential for applications in polymer-based electronics. Optimization of conjugated polymer morphology was performed with three objectives: 1) segregation of donor and acceptor materials on the nanometer length-scale, 2) achieving molecular-scale ordering in terms of crystallinity within distinct domains, and 3) maximizing the number and quality of well-defined donor/acceptor interfaces. Chapter 1 introduces the development of a mixed solvent method to create crystalline poly(3-hexyl thiophene) (P3HT) fibrils in solution. Chapter 2 describes fibril purification and approaches to robust and functional fibrils, while chapters 3 and 4 demonstrate the formation of hybrid nanocomposite wires of P3HT and cadmium selenide (CdSe) nanoparticles by two methods: 1) co-crystallization of free and P3HT-grafted CdSe for composite nanowires and 2) direct attachment of CdSe nanoparticles at fibril edges to give superhighway structures. These composite structures show great potential in the application of optoelectronic devices, such as the active layer of solar cells. Finally, ultrafast photophysical characterization of these polymers, using time-resolved photoluminescence and transient absorption, was performed to determine the aggregation types present in suspended fibrils and monitor the formation and decay of charged species in fibrils and donor-acceptor systems.

  16. Are Entangled Polymer Melts Different From Solutions?

    OpenAIRE

    Huang, Qian; Mednova, Olga; Rasmussen, Henrik K.; Skov, Anne Ladegaard; Almdal, Kristoffer; Hassager, Ole

    2012-01-01

    The possible existence of a qualitative difference on extensional steady state viscosity between polymer melts and polymer solutions is still an open question. Recent experiments [1-4] showed the extensional viscosity of both polymer melts and solutions decayed as a function of strain rate with an exponent of -0.5. When the strain rate became higher than the order of inverse Rouse time, the polymer solutions showed an upturn [1, 4]. However, in the same regime for polymer melts, the experimen...

  17. Triphenylamine-based amorphous polymers for bulk-heterojunction photovoltaic cells

    International Nuclear Information System (INIS)

    In this paper, the recent research progress on triphenylamine (TPA)-based donor-acceptor (D-A) amorphous polymers including our developed polymers is reviewed. TPA has three-dimensional branched structures and can provide D-A polymers containing D and A units in the main chain or side chain. The use of TPA-based amorphous polymers in the fabrication of organic photovoltaics (OPVs) offers great advantages over the use of a polycrystalline film in terms of high reproducibility of the OPV performance. The amorphous polymer design using TPA, therefore, indicates a promising direction for the development of new donor materials in OPVs

  18. Impact of polymers on the crystallization and phase transition kinetics of amorphous nifedipine during dissolution in aqueous media.

    Science.gov (United States)

    Raina, Shweta A; Alonzo, David E; Zhang, Geoff G Z; Gao, Yi; Taylor, Lynne S

    2014-10-01

    The commercial and clinical success of amorphous solid dispersions (ASD) in overcoming the low bioavailability of poorly soluble molecules has generated momentum among pharmaceutical scientists to advance the fundamental understanding of these complex systems. A major limitation of these formulations stems from the propensity of amorphous solids to crystallize upon exposure to aqueous media. This study was specifically focused on developing analytical techniques to evaluate the impact of polymers on the crystallization behavior during dissolution, which is critical in designing effective amorphous formulations. In the study, the crystallization and polymorphic conversions of a model compound, nifedipine, were explored in the absence and presence of polyvinylpyrrolidone (PVP), hydroxypropylmethyl cellulose (HPMC), and HPMC-acetate succinate (HPMC-AS). A combination of analytical approaches including Raman spectroscopy, polarized light microscopy, and chemometric techniques such as multivariate curve resolution (MCR) were used to evaluate the kinetics of crystallization and polymorphic transitions as well as to identify the primary route of crystallization, i.e., whether crystallization took place in the dissolving solid matrix or from the supersaturated solutions generated during dissolution. Pure amorphous nifedipine, when exposed to aqueous media, was found to crystallize rapidly from the amorphous matrix, even when polymers were present in the dissolution medium. Matrix crystallization was avoided when amorphous solid dispersions were prepared, however, crystallization from the solution phase was rapid. MCR was found to be an excellent data processing technique to deconvolute the complex phase transition behavior of nifedipine.

  19. Production of amorphous starch powders by solution spray drying

    OpenAIRE

    Niazi, Muhammad B. K.; Broekhuis, Antonius A.

    2012-01-01

    The spray drying of starch/maltodextrin formulations was evaluated as a potential technology for the manufacturing of amorphous thermoplastic starches. Mixtures of starches with high to low amylose (Am)amylopectin (Ap) ratios were spray-dried from water-based solutions and granular dispersions. The effects of the feed composition on the morphology and physical properties of the end product were investigated with the spray-drying conditions kept constant. Powders obtained from the starch solut...

  20. Turbulence of Dilute Polymer Solution

    CERN Document Server

    Xi, Heng-Dong; Xu, Haitao

    2013-01-01

    In fully developed three dimensional fluid turbulence the fluctuating energy is supplied at large scales, cascades through intermediate scales, and dissipates at small scales. It is the hallmark of turbulence that for intermediate scales, in the so called inertial range, the average energy flux is constant and independent of viscosity [1-3]. One very important question is how this range is altered, when an additional agent that can also transport energy is added to the fluid. Long-chain polymers dissolved at very small concentrations in the fluid are such an agent [4,5]. Based on prior work by de Gennes and Tabor [6,7] we introduce a theory that balances the energy flux through the turbulent cascade with that of the energy flux into the elastic degrees of freedom of the dilute long-chain polymer solution. We propose a refined elastic length scale, $r_\\varepsilon$, which describes the effect of polymer elasticity on the turbulence energy cascade. Our experimental results agree excellently with this new energy ...

  1. Free energy of binding of a small molecule to an amorphous polymer in a solvent.

    Science.gov (United States)

    Chunsrivirot, Surasak; Trout, Bernhardt L

    2011-06-01

    Crystallization is a commonly used purification process in industrial practice. It usually begins with heterogeneous nucleation on a foreign surface. The complicated mechanism of heterogeneous nucleation is not well understood, but we hypothesize that a possible correlation between binding affinity to a surface and nucleation enhancement might exist. Amorphous polymers have been used in controlling crystallization. However, to our knowledge, no attempt has been made to calculate the free energy of binding of a small molecule to an amorphous polymer in a solvent, and to characterize the binding sites/conformations of this system at a molecular level. We developed a two-step approach, first using Adsorption Locator to identify probable binding sites and molecular dynamics to screen for the best binding sites and then using the Blue-Moon Ensemble method to compute the free energy of binding. A system of ethylene glycol, polyvinyl alcohol (PVA), and heavy water (D(2)O) was used for validation, since experimental data exists on a related system. Looking at four independently constructed surfaces, we found that ethylene glycol binds to an indentation on the surface or in a hole beneath the surface. We focused on the indentation binding sites because they are easily accessible and do not have large free energy barriers. The closest system for which experimental data on binding energetics exists is ethylene glycol on PVA in aqueous solutions/gels, and the magnitudes of the free energy of binding to the three best indentation binding sites are close to the experimental value, 0.4-3.7 kcal/mol higher. Our approach offers a way to compute the free energy of binding and characterize the binding sites/conformations, and is general enough to apply to other small molecule/amorphous polymer/solvent systems.

  2. Airbrush Spray Coating of Amorphous Titanium Dioxide for Inverted Polymer Solar Cells

    Directory of Open Access Journals (Sweden)

    Luca La Notte

    2012-01-01

    Full Text Available One of the main topics of organic photovoltaics manufacturing is the need for simple, low cost, and large area compatible techniques. Solution-based processes are the best candidates to achieve this aim. Among these, airbrush spray coating has successfully applied to deposit both active and PEDOT layers of bulk-heterojunction solar cells. However, this technique is not yet sufficiently studied for interfacial layers (electron and hole transporting layers or optical spacers. In this paper, we show that amorphous titanium dioxide ( films, obtained with an airbrush from a solution of titanium (IV isopropoxide diluted in isopropanol, are successfully deposited on glass and PET substrates. Good surface covering results from the coalescence of droplets after optimizing the spray coating system. Simple inverted polymer solar cells are fabricated using as electron transporting layer obtaining encouraging electrical performances (% on glass/FTO and 0.7% on PET/ITO substrates.

  3. Functionalized polymers for binding to solutes in aqueous solutions

    Science.gov (United States)

    Smith, Barbara F.; Robison, Thomas W.

    2006-11-21

    A functionalized polymer for binding a dissolved molecule in an aqueous solution is presented. The polymer has a backbone polymer to which one or more functional groups are covalently linked. The backbone polymer can be such polymers as polyethylenimine, polyvinylamine, polyallylamine, and polypropylamine. These polymers are generally water-soluble, but can be insoluble when cross-linked. The functional group can be for example diol derivatives, polyol derivatives, thiol and dithiol derivatives, guest-host groups, affinity groups, beta-diphosphonic acids, and beta-diamides

  4. Foaming behaviour of polymer-surfactant solutions

    International Nuclear Information System (INIS)

    We study the effect of a non-ionic amphiphilic polymer (PEG-100 stearate also called Myrj 59) on the foaming behaviour of aqueous solutions of an anionic surfactant (sodium dodecyl sulfate or SDS). The SDS concentration was kept fixed while the Myrj 59 concentration was varied. Measurements of foamability, surface tension and electrical conductivity were carried out. The results show two opposite effects depending on the polymer concentration: foamability is higher when the Myrj 59 concentration is low; however, it decreases considerably when the polymer concentration is increased. This behaviour is due to the polymer adsorption at the air/liquid interface at lower polymer concentrations, and to the formation of a polymer-surfactant complex in the bulk at higher concentrations. The results are confirmed by surface tension and electrical conductivity measurements, which are interpreted in terms of the microstructure of the polymer-surfactant solutions. The observed behaviour is due to the amphiphilic nature of the studied polymer. The increased hydrophobicity of Myrj 59, compared to that of water-soluble polymers like PEG or PEO, increases its 'reactivity' towards SDS, i.e. the strength of its interaction with this anionic surfactant. Our results show that hydrophobically modified polymers have potential applications as additives in order to control the foaming properties of surfactant solutions

  5. COMPUTER SIMULATION OF POLYMER SOLUTION THERMODYNAMICS

    Institute of Scientific and Technical Information of China (English)

    1998-01-01

    The statistical counting method for the computer simulation of the thermodynamic quantities of polymer solution has been reviewed. The calculating results for a single athermal chain confirm the theory of the renormalization group. The results for the athermal solution are consistent with the scaling law of the osmotic pressure with the exponent 2.25. The results for a single chain with the segmental interaction are in a good agreement with the exact results obtained by the direct counting method. The results for the polymer solution show us that the Flory-Huggins parameter is strongly dependent on both the polymer concentration and the interaction energy between segments.

  6. Effects of Intercalation on the Hole Mobility of Amorphous Semiconducting Polymer Blends

    KAUST Repository

    Cates, Nichole C.

    2010-06-08

    Fullerenes have been shown to intercalate between the side chains of many crystalline and semicrystalline polymers and to affect the properties of polymer:fullerene bulk heterojunction solar cells. Here we present the first in-depth study of intercalation in an amorphous polymer. We study blends of the widely studied amorphous polymer poly(2-methoxy-5-(3studied amorphous polymer poly(,7·studied amorphous polymer poly(-dimethyloctyloxy)-p-phenylene vinylene) (MDMO-PPV) with a variety of molecules using photoluminescence measurements, scanning electron microscopy, and space-charge limited current mobility measurements. The blends with elevated hole mobilities exhibit complete photoluminescence quenching and show no phase separation in a scanning electron microscope. We conclude that intercalation occurs in MDMO-PPV:fullerene blends and is responsible for the increase in the MDMO-PPV hole mobility by several orders of magnitude when it is blended with fullerenes, despite the dilution of the hole-conducting polymer with an electron acceptor. © 2010 American Chemical Society.

  7. Structuring of polymer solutions upon solvent evaporation

    NARCIS (Netherlands)

    Schaefer, C.; van der Schoot, P.; Michels, J. J.

    2015-01-01

    The morphology of solution-cast, phase-separated polymers becomes finer with increasing solvent evaporation rate. We address this observation theoretically for a model polymer where demixing is induced by steady solvent evaporation. In contrast to what is the case for a classical, thermal quench inv

  8. Interfacial Thermodynamics of Coexisting Aqueous Polymer Solutions

    NARCIS (Netherlands)

    Vis, M.

    2015-01-01

    Phase separation is commonly observed when two different polymers are present in aqueous solution, forming aqueous two-phase systems which typically consist for 90% of water. It is demonstrated that the presence of charge on one of the polymers results in an electric potential difference between the

  9. Heterogeneity of spiral wear patterns produced by local heating on amorphous polymers

    Energy Technology Data Exchange (ETDEWEB)

    Rice, Reginald H. [Department of Physics, Kansas State University, Manhattan, KS 66506-2601 (United States); Gnecco, Enrico [Instituto Madrileño de Estudios Avanzados en Nanociencia, Campus Universitario de Cantoblanco, Madrid (Spain); King, William P. [Department of Mechanical Science and Engineering, University of Illinois Urbana-Champaign, Urbana, IL 61801 (United States); Szoszkiewicz, Robert, E-mail: rs@phys.ksu.edu [Department of Physics, Kansas State University, Manhattan, KS 66506-2601 (United States)

    2013-08-15

    We report on spiral wear patterns produced at constant angular velocity by hot tip atomic force microscopy (HT-AFM) on surfaces of two common amorphous polymers: polystyrene (PS) and polymethylmethacrylate (PMMA). Topography of these patterns is obtained with regular AFM cantilevers. Topography cross-sections taken from a center of each spiral at a given azimuthal angle Θ relate changes of surface corrugation h{sub corr} with tangential velocity v of a thermal cantilever. Polymer wear is characterized by a power law h{sub corr}(v) = α(v/v{sub max}){sup −β}, which yields a pre-factor α and an exponent β. Below the glass transition temperature T{sub g}, α is polymer specific and β varies weakly between similar conditions and samples. Variations of β are hypothesized to reflect polymer relaxation processes, which are expected to vary only weakly between amorphous polymers. At and above T{sub g}, α approaches initial thermal tip indentation depth within a polymer, β plummets, and a power law relation of h{sub corr} with v diverges. These results are explained by heterogeneous wear around T{sub g} due to a local nature of glass transition. At all studied temperatures, additional wear heterogeneities are found as due to position on the polymer and Θ. Variations of α and β with position on the polymer are found to be only marginally larger then uncertainties of the thermal tip–polymer interface temperature. Variations of α and β with Θ are found to be largely influenced by buckling of thermal cantilevers traveling in a spiral pattern. - Graphical abstract: Display Omitted - Highlights: • Novel method to characterize temperature dependant wear on polymers is reported. • Hot-tip AFM methods and spiral scanning are used. • Heterogeneity of polymer wear in vicinity of glass transition is discussed. • Amorphous polymers are studied only.

  10. Brownian particles in supramolecular polymer solutions

    OpenAIRE

    Gucht, van der, J.; Besseling, N.A.M.; Knoben, W.; Bouteiller, L; Cohen Stuart, M. A.

    2003-01-01

    The Brownian motion of colloidal particles embedded in solutions of hydrogen-bonded supramolecular polymers has been studied using dynamic light scattering. At short times, the motion of the probe particles is diffusive with a diffusion coefficient equal to that in pure solvent. At intermediate time scales the particles are slowed down as a result of trapping in elastic cages formed by the polymer chains, while at longer times the motion is diffusive again, but with a much smaller diffusion c...

  11. Amorphous/crystal and polymer/filler interphases in biocomposites from poly(butylene succinate)

    Energy Technology Data Exchange (ETDEWEB)

    Signori, Francesca [Consiglio Nazionale delle Ricerche - Istituto per i Processi Chimico-Fisici (CNR-IPCF), Via G. Moruzzi 1, I-56124 Pisa (Italy); Pelagaggi, Martina [Universita di Pisa - Dipartimento di Chimica e Chimica Industriale, Via Risorgimento 35, I-56126 Pisa (Italy); Bronco, Simona [Consiglio Nazionale delle Ricerche - Istituto per i Processi Chimico-Fisici (CNR-IPCF), Via G. Moruzzi 1, I-56124 Pisa (Italy); Righetti, Maria Cristina, E-mail: righetti@ipcf.cnr.it [Consiglio Nazionale delle Ricerche - Istituto per i Processi Chimico-Fisici (CNR-IPCF), Via G. Moruzzi 1, I-56124 Pisa (Italy)

    2012-09-10

    Highlights: Black-Right-Pointing-Pointer The existence of intermolecular interactions between poly(butylene succinate) and hemp fibres was proved from specific heat capacities data. Black-Right-Pointing-Pointer Different degrees of mobility of the poly(butylene succinate) amorphous segments were evidenced at the amorphous/crystal interphase. Black-Right-Pointing-Pointer Devitrification of the rigid amorphous fraction in poly(butylene succinate) was found to occur before and simultaneously with the fusion. - Abstract: Poly(butylene succinate)-hemp composites (PBS-hemp), with hemp content in the range 0-40 wt.%, were prepared in the melt and characterized. This paper focuses on the detailed analysis of the thermal behaviour of the PBS-hemp composites, investigated by differential scanning calorimetry (DSC), to enlighten the polymer/fibre interphase features. The occurrence of specific intermolecular interactions between PBS and hemp was assessed from specific heat capacity data. Different degrees of mobility of the PBS amorphous segments were found at the amorphous/crystal interphases. A broadening of the bulk glass transition was observed, and attributed to the presence of polymer segments slightly constrained. Moreover, a rigid amorphous fraction that devitrifies at temperatures higher than the bulk glass transition, partly before the melting region and partly simultaneously with the fusion, was observed and quantified, and attributed to the presence of major constraints probably occurring in geometrically restricted areas.

  12. Inhibition of surface crystallisation of amorphous indomethacin particles in physical drug-polymer mixtures.

    Science.gov (United States)

    Priemel, Petra A; Laitinen, Riikka; Barthold, Sarah; Grohganz, Holger; Lehto, Vesa-Pekka; Rades, Thomas; Strachan, Clare J

    2013-11-18

    Surface coverage may affect the crystallisation behaviour of amorphous materials. This study investigates crystallisation inhibition in powder mixtures of amorphous drug and pharmaceutical excipients. Pure amorphous indomethacin (IMC) powder and physical mixtures thereof with Eudragit(®) E or Soluplus(®) in 3:1, 1:1 and 1:3 (w/w) ratios were stored at 30 °C and 23 or 42% RH. Samples were analysed during storage by X-ray powder diffraction, thermogravimetric analysis, differential scanning calorimetry, and scanning electron microscopy (SEM). IMC Eudragit(®) mixtures showed higher physical stability than pure IMC whereas IMC Soluplus(®) mixtures did not. Water uptake was higher for mixtures containing Soluplus(®) than for amorphous IMC or IMC Eudragit(®) mixtures. However, the Tg of amorphous IMC was unaffected by the presence (and nature) of polymer. SEM revealed that Eudragit(®) particles aggregated on the surface of IMC particles, whereas Soluplus(®) particles did not. The drug particles developed multiple crystallites at their surface with subsequent crystal growth. The intimate contact between the surface agglomerated Eudragit(®) particles and drug is believed to inhibit crystallisation through reduced IMC surface molecular mobility. Polymer particles may also mechanically hinder crystal growth outwards from the surface. This work highlights the importance of microparticulate surface coverage of amorphous drug particles on their stability.

  13. On cavitation, post-cavitation and yield in amorphous polymer-rubber blends

    NARCIS (Netherlands)

    Steenbrink, A.C.; Giessen, E. van der

    1999-01-01

    The deformation behaviour of amorphous polymer-rubber blends is investigated in terms of an axisymmetric unit cell model containing an initially spherical rubber particle. The behaviour of the rubber is described by an incompressible non-Gaussian network theory, while for the matrix we adopt a recen

  14. A possible mechanism for cross-tie fibril generation in crazing of amorphous polymers

    NARCIS (Netherlands)

    Tijssens, M.G.A.; van der Giessen, E.

    2002-01-01

    A possible mechanism for cross-tie fibril generation in crazes of amorphous polymers is proposed. Detailed finite element calculations are performed on an axisymmetric model of a single fibril inside the craze. These calculations suggest that the hydrostatic stress inside the fibril is large enough

  15. Inhibition of surface crystallisation of amorphous indomethacin particles in physical drug-polymer mixtures

    DEFF Research Database (Denmark)

    Priemel, Petra A; Laitinen, Riikka; Barthold, Sarah;

    2013-01-01

    Surface coverage may affect the crystallisation behaviour of amorphous materials. This study investigates crystallisation inhibition in powder mixtures of amorphous drug and pharmaceutical excipients. Pure amorphous indomethacin (IMC) powder and physical mixtures thereof with Eudragit(®) E or Sol...... through reduced IMC surface molecular mobility. Polymer particles may also mechanically hinder crystal growth outwards from the surface. This work highlights the importance of microparticulate surface coverage of amorphous drug particles on their stability.......Surface coverage may affect the crystallisation behaviour of amorphous materials. This study investigates crystallisation inhibition in powder mixtures of amorphous drug and pharmaceutical excipients. Pure amorphous indomethacin (IMC) powder and physical mixtures thereof with Eudragit(®) E...... or Soluplus(®) in 3:1, 1:1 and 1:3 (w/w) ratios were stored at 30°C and 23 or 42% RH. Samples were analysed during storage by X-ray powder diffraction, thermogravimetric analysis, differential scanning calorimetry, and scanning electron microscopy (SEM). IMC Eudragit(®) mixtures showed higher physical...

  16. Effect of polymers and media type on extending the dissolution of amorphous pioglitazone and inhibiting the recrystallization from a supersaturated state.

    Science.gov (United States)

    Shi, Nian-Qiu; Yao, Jing; Wang, Xing-Lin

    2014-08-01

    Amorphous forms of crystalline drug are widely utilized for bioavailability enhancement of low solubility drugs in the pharmaceutical industry. Polymers have been found to be effective crystallization inhibitors for amorphous forms in solid states during storage or in liquid states during dissolution process. The dissolution and crystallization behaviors of these amorphous forms in the presence or absence of polymers are still far from adequately understood especially in different dissolution environments. The objective of this study was to investigate the effects of polymers and media type on extending the dissolution of amorphous pioglitazone and inhibiting the recrystallization from a supersaturated state. Polyvinylpyrrolidone K30 (PVPK30), polyvinylpyrrolidone K90 (PVPK90), polyethylene glycol 6000 (PEG6000), polyethylene-polypropylene glycol 188 (F-68), hydroxypropylmethylcellulose (HPMC) and beta-cyclodextrin (β-CD) were employed to understand these behaviors changes because these polymers were used widely. Three solutions including neutral water and phosphate buffer solutions (PBS, pH6.8 and pH7.4) were adopted as dissolution media to determine the behaviors changes comprehensively. In the presence of polymers, dissolution and solubility were extended to different degrees in three media. Polymers can delay the crystallization routes dependently of the medium type. Buffer salts in media reduced the dissolution and accelerated the crystallization process. Crystallization inhibition of these polymers was strongly dependent on the type and pH of media. HPMC displayed the strongest crystallization inhibition effects, resulting in the greatest degree of maintaining a supersaturated state that can sustain most effectively for biologically relevant timeframes.

  17. Solution growth of microcrystalline silicon on amorphous substrates

    Energy Technology Data Exchange (ETDEWEB)

    Heimburger, Robert

    2010-07-05

    This work deals with low-temperature solution growth of micro-crystalline silicon on glass. The task is motivated by the application in low-cost solar cells. As glass is an amorphous material, conventional epitaxy is not applicable. Therefore, growth is conducted in a two-step process. The first step aims at the spatial arrangement of silicon seed crystals on conductive coated glass substrates, which is realized by means of vapor-liquid-solid processing using indium as the solvent. Seed crystals are afterwards enlarged by applying a specially developed steady-state solution growth apparatus. This laboratory prototype mainly consists of a vertical stack of a silicon feeding source and the solvent (indium). The growth substrate can be dipped into the solution from the top. The system can be heated to a temperature below the softening point of the utilized glass substrate. A temperature gradient between feeding source and growth substrate promotes both, supersaturation and material transport by solvent convection. This setup offers advantages over conventional liquid phase epitaxy at low temperatures in terms of achievable layer thickness and required growth times. The need for convective solute transport to gain the desired thickness of at least 50 {mu}m is emphasized by equilibrium calculations in the binary system indium-silicon. Material transport and supersaturation conditions inside the utilized solution growth crucible are analyzed. It results that the solute can be transported from the lower feeding source to the growth substrate by applying an appropriate heating regime. These findings are interpreted by means of a hydrodynamic analysis of fluid flow and supporting FEM simulation. To ensure thermodynamic stability of all materials involved during steady-state solution growth, the ternary phase equilibrium between molybdenum, indium and silicon at 600 C was considered. Based on the obtained results, the use of molybdenum disilicide as conductive coating

  18. Constant force extensional rheometry of polymer solutions

    DEFF Research Database (Denmark)

    Szabo, Peter; McKinley, Gareth H.; Clasen, Christian

    2012-01-01

    We revisit the rapid stretching of a liquid filament under the action of a constant imposed tensile force, a problem which was first considered by Matta and Tytus [J. Non-Newton. Fluid Mech. 35 (1990) 215–229]. A liquid bridge formed from a viscous Newtonian fluid or from a dilute polymer solution...... filament can be probed. In particular, we show that with this constant force pull (CFP) technique it is possible to readily impose very large material strains and strain rates so that the maximum extensibility of the polymer molecules may be quantified. This unique characteristic of the experiment...... mass is developed for simple viscous filaments. Based on these theoretical considerations we develop an expression that enables estimation of the finite extensibility parameter characterizing the polymer solution in terms of quantities that can be extracted directly from simple measurement of the time...

  19. Polarization of positronium in amorphous polar polymers: A case study

    Energy Technology Data Exchange (ETDEWEB)

    Consolati, G., E-mail: giovanni.consolati@polimi.it; Quasso, F. [Department of Aerospace Science and Technology, Politecnico di Milano, via La Masa, 34, Milano 20156 (Italy)

    2013-11-28

    The features of positronium in an amorphous copolymer (polyvinyl acetate-crotonic acid) in a range of temperatures including the glass transition were investigated by means of positron annihilation lifetime spectroscopy. In particular, para-positronium lifetime was found to be longer than in a vacuum and to decrease with the temperature. This was attributed to the electron density at the positron (contact density), which is lower than in vacuo due to the presence of polar groups in the copolymer. A three quantum yield experiment confirmed the lifetime results.

  20. Brownian particles in supramolecular polymer solutions

    NARCIS (Netherlands)

    Gucht, van der J.; Besseling, N.A.M.; Knoben, W.; Bouteiller, L.; Cohen Stuart, M.A.

    2003-01-01

    The Brownian motion of colloidal particles embedded in solutions of hydrogen-bonded supramolecular polymers has been studied using dynamic light scattering. At short times, the motion of the probe particles is diffusive with a diffusion coefficient equal to that in pure solvent. At intermediate time

  1. A Polymer "Pollution Solution" Classroom Activity.

    Science.gov (United States)

    Helser, Terry L.

    1996-01-01

    Explains an approach to presenting polymer chemistry to nonmajors that employs polystyrene foam, foam peanuts made from water soluble starch, and water soluble plastic bags. Students are presented with a pollution scenario and are guided to the discovery of solutions. (DDR)

  2. Solvent-mediated amorphous-to-crystalline transformation of nitrendipine in amorphous particle suspensions containing polymers

    DEFF Research Database (Denmark)

    Xia, Dengning; Wu, Jian-Xiong; Cui, Fude;

    2012-01-01

    The amorphous-to-crystalline transformation of nitrendipine was investigated using Raman spectroscopy and X-ray powder diffraction (XRPD). The nucleation and growth rate of crystalline nitrendipine in a medium containing poly (vinyl alcohol) (PVA) and polyethylene glycol (PEG 200) were quantitati......The amorphous-to-crystalline transformation of nitrendipine was investigated using Raman spectroscopy and X-ray powder diffraction (XRPD). The nucleation and growth rate of crystalline nitrendipine in a medium containing poly (vinyl alcohol) (PVA) and polyethylene glycol (PEG 200) were...... precipitate acting as a reservoir for maintaining the supersaturation. The rates of nucleation and crystal growth of nitrendipine decreased with an increase in PEG 200 concentration in organic phase from 0% to 75% (v/v). Increasing the PVA concentration in water phase from 0.1% to 1.0% (w/w) also decreased...... the rates of nucleation and crystal growth, however, an increase in PVA concentration from 1.0% to 2.0% (w/w) did not result in a further decrease in the rates of nucleation and crystal growth. An increase in drug concentrations in the organic phase from 10 mg/ml to 30 mg/ml led to faster nucleation rates...

  3. Measurement and computation of thermal stresses in injection molding of amorphous and crystalline polymers

    Science.gov (United States)

    Farhoudi, Yalda

    1998-12-01

    An integrated experimental and theoretical study of the residual thermal stresses has been carried out. The final stress profiles along the thickness were measured in an amorphous and a semi-crystalline injection molded polymer using the layer removal technique. The two materials exhibited drastically distinct residual profiles. Furthermore, processing parameters such as melt and coolant temperatures, pressure history, and mold thickness were found to modify the profiles. In order to elucidate the findings, two models were derived. The two-dimensional free mold shrinkage model was developed to provide a rapid estimation of thermal stresses and the main features of their profile. A more complex model was developed by integrating the stress analysis with the simulation of the complete injection molding cycle by McKam. This model accounts for the fountain flow effect, the crystallization, and the PVT behavior of the material. With the help of the model predictions, explanations were provided for the occurrence of various regions in the residual stress profiles. Transitions or reversal of the regions under variable conditions or material properties were observed to be mainly determined by the ratio of the thermal to the pressure effects. Using these concepts, practical conclusions were drawn for controlling the residual stresses. As an alternative for optimization of injection molding with respect to residual stresses, inverse methods were developed to calculate the pressure history or the initial temperature distribution required to produce a prescribed residual stress distribution. These methods were tested using direct solutions with added errors and experimental stress data.

  4. Dilational surface rheology of polymer solutions

    Science.gov (United States)

    Noskov, B. A.; Bykov, A. G.

    2015-06-01

    The review concerns main achievements in dilational rheology of polymer adsorption films at the gas/liquid interfaces reported in the last fifteen years. The theoretical foundations of methods of surface rheology and the key results obtained in studies of solutions of amphiphilic nonionic polymers, polyelectrolytes, proteins and their complexes with low-molecular-mass surfactants are discussed. Interest in the surface dilational rheology is mainly caused by a small number of available experimental methods for investigation of the surface of liquids, by the fact that traditional methods of measurement of the surface tension that are widely used in studies of solutions of low-molecular-mass surfactants provide little information when applied to polymer solutions owing to very slow establishment of equilibrium as well as by weak dependence of the surface tension on the polymer concentration. Progress in the surface rheology is driven by the recent studies of the stability of foams and emulsions that demonstrated a key role of the dilational surface rheological properties in the dynamics of liquid-phase disperse systems. The bibliography includes 191 references.

  5. Role of amorphous and aggregate phases on field-induced exciton dissociation in a conjugated polymer

    Science.gov (United States)

    Mróz, Marta M.; Lüer, Larry; Houarner-Rassin, Coralie; Anderson, Harry L.; Cabanillas-Gonzalez, Juan

    2013-01-01

    We have applied electric field assisted pump-probe spectroscopy in order to unravel the interplay of amorphous and aggregate phases on the polaron-pair photogeneration process in a conjugated porphyrin polymer. We find that excitons photogenerated in both phases are precursors for polaron pairs with different yields. Kinetic modeling indicates a substantially larger barrier for exciton dissociation in aggregates compared to amorphous areas. The majority of polaron pairs are however formed in aggregate phases due to efficient energy transfer from the amorphous phase. Based on the change in the Stark shift associated with the photogenerated polaron density, we provide a picture of the motion of polaron pairs under the external electric field.

  6. Highly Efficient Hybrid Polymer and Amorphous Silicon Multijunction Solar Cells with Effective Optical Management.

    Science.gov (United States)

    Tan, Hairen; Furlan, Alice; Li, Weiwei; Arapov, Kirill; Santbergen, Rudi; Wienk, Martijn M; Zeman, Miro; Smets, Arno H M; Janssen, René A J

    2016-03-16

    Highly efficient hybrid multijunction solar cells are constructed with a wide-bandgap amorphous silicon for the front subcell and a low-bandgap polymer for the back subcell. Power conversion efficiencies of 11.6% and 13.2% are achieved in tandem and triple-junction configurations, respectively. The high efficiencies are enabled by deploying effective optical management and by using photoactive materials with complementary absorption. PMID:26780260

  7. Reduced Crystallization Temperature Methodology for Polymer Selection in Amorphous Solid Dispersions: Stability Perspective.

    Science.gov (United States)

    Bhugra, Chandan; Telang, Chitra; Schwabe, Robert; Zhong, Li

    2016-09-01

    API-polymer interactions, used to select the right polymeric matrix with an aim to stabilize an amorphous dispersion, are routinely studied using spectroscopic and/or calorimetric techniques (i.e., melting point depression). An alternate selection tool has been explored to rank order polymers for formation of stable amorphous dispersions as a pragmatic method for polymer selection. Reduced crystallization temperature of API, a parameter introduced by Zhou et al.,1 was utilized in this study for rank ordering interactions in API-polymeric systems. The trends in reduced crystallization temperature monitored over polymer concentration range of up to 20% polymer loading were utilized to calculate "crystallization parameter" or CP for two model systems (nifedipine and BI ABC). The rank order of CP, i.e., a measure of API-polymer interaction, for nifedipine followed the order PVP > PVP-VA > Soluplus > HPMCAS > PV Ac > PAA. This rank ordering was correlated to published results of molecular interactions and physical stability for nifedipine. A different rank ordering was observed for BI ABC: PAA > PVP > HPMCAS > Soluplus > PVPV-VA > PVAc. Interactions for BI ABC were not as differentiated when compared to nifedipine based on CP trends. BI ABC dispersions at drug loadings between 40 and 60% were physically stable for prolonged periods under ICH conditions as well as accelerated stress. We propose that large CP differences among polymers could be predictive of stability outcomes. Acceptable stability at pharmaceutically relevant drug loadings would suggest that the relative influence of downstream processes, such as polymer solubility in various solvents, process suitability and selection, and more importantly supersaturation potential, should be higher compared to stability considerations while developing compounds like BI ABC. PMID:27414755

  8. Light-emitting nanocomposites and novel amorphous polymers for optical applications

    Science.gov (United States)

    Gipson, Kyle Garrod

    Polymeric optical materials generally are comprised of amorphous polymers that are transparent in at visible wavelengths but exhibit strong absorption bands in the near-infrared making them less useful for many optical applications. Attenuation, which is the absorption per unit length, largely results from the high vibrational energy associated with carbon-hydrogen bonds contained in the polymer backbone. Attenuation can be mitigated by optical amplification utilizing light emitting additives. Investigated in this dissertation are synthesis techniques for the fabrication of light-emitting polymer nanocomposites and their resultant thermal and rheological characteristics for potential use as polymer optical fibers or films. Inorganic nanocrystals doped with optically active rare-earth ions (Tb 3+:LaF3) treated with organic ligands were synthesized in water and methanol in order to produce polymethyl methacrylate (PMMA) light-emitting nanocomposites. Two different aromatic ligands (acetylsalicylic acid, ASA and 2-picolinic acid, PA) were employed to functionalize the surface of Tb 3+:LaF3 nanocrystals. We have used infrared spectroscopy, thermal analysis, elemental analysis, dynamic light scattering, rheological measurements and optical spectroscopy to investigate the nanoparticle structure and composition response of ligand-capped nanocrystals under various synthesis parameters. A theoretical interpretation of particle-to-particle interactions also was conducted which supported our study of the potential of agglomeration within the nanoparticle suspensions. Novel amorphous polymers (e.g. perfluorocyclobutyl aryl ethers, PFCB), which do not exhibit strong C-H vibrations, have been reported to possess excellent optical properties. Little is known of the intrinsic properties of PFCBs (e.g. biphenylvinyl ether, BPVE and hexafluoroisopropylidene vinyl ether, 6F) as well as the behavior of the polymer melt during extrusion. We preformed empirical and experimental thermal

  9. Evaluation of the amorphous content of lactose by solution calorimetry and Raman spectroscopy.

    Science.gov (United States)

    Katainen, Erja; Niemelä, Pentti; Harjunen, Päivi; Suhonen, Janne; Järvinen, Kristiina

    2005-11-15

    Solution calorimetry can be used to determine the amorphous content of a compound when the solubility and dissolution rate of the compound in the chosen solvent are reasonably high. Sometimes, it can be difficult find a solvent in which a sample is freely soluble. The present study evaluated the use of solution calorimetry for the assessment of the amorphous content of a sample that is poorly soluble in a solvent. Physical mixtures of lactose and spray-dried lactose samples (the amorphous content varied from 0 to 100%) were analyzed by a solution calorimeter and the results were compared with Raman spectroscopy determinations. The heat of solvation of the samples was determined by solution calorimetry in organic solvents MeOH, EtOH, ACN, THF, acetone (400mg sample/100ml solvent). Lactose is virtually insoluble in ACN, THF and acetone and very slightly soluble in EtOH and MeOH. The amorphous content of the samples could not be determined by solution calorimetry in EtOH, ACN, THF or acetone. However, an excellent correlation was observed between the heat of solvation and the amorphous content of the samples in MeOH. Furthermore, the heat of solvation values of the samples in MeOH showed a linear correlation with the Raman quantifications. Therefore, our results demonstrate that solution calorimetry may represent a rapid and simple method for determining the amorphous content also in samples that are not freely soluble in the solvent. PMID:18970276

  10. Spin coating of an evaporating polymer solution

    KAUST Repository

    Münch, Andreas

    2011-01-01

    We consider a mathematical model of spin coating of a single polymer blended in a solvent. The model describes the one-dimensional development of a thin layer of the mixture as the layer thins due to flow created by a balance of viscous forces and centrifugal forces and evaporation of the solvent. In the model both the diffusivity of the solvent in the polymer and the viscosity of the mixture are very rapidly varying functions of the solvent mass fraction. Guided by numerical solutions an asymptotic analysis reveals a number of different possible behaviours of the thinning layer dependent on the nondimensional parameters describing the system. The main practical interest is in controlling the appearance and development of a "skin" on the polymer where the solvent concentration reduces rapidly on the outer surface leaving the bulk of the layer still with high concentrations of solvent. In practice, a fast and uniform drying of the film is required. The critical parameters controlling this behaviour are found to be the ratio of the diffusion to advection time scales ε, the ratio of the evaporation to advection time scales δ and the ratio of the diffusivity of the pure polymer and the initial mixture exp(-1/γ). In particular, our analysis shows that for very small evaporation with δ

  11. Role of Chain Morphology and Stiffness in Thermal Conductivity of Amorphous Polymers.

    Science.gov (United States)

    Zhang, Teng; Luo, Tengfei

    2016-02-01

    Designing thermally conductive polymer is of scientific interest and practical importance for applications like thermal interface materials, electronics packing, and plastic heat exchangers. In this work, we study the fundamental relationship between the molecular morphology and thermal conductivity in bulk amorphous polymers. We use polyethylene as a model system and performed systematic parametric study in molecular dynamics simulations. We find that the thermal conductivity is a strong function of the radius of gyration of the molecular chains, which is further correlated to persistence length, an intrinsic property of the molecule that characterizes molecular stiffness. Larger persistence length can lead to more extended chain morphology and thus higher thermal conductivity. Further thermal conductivity decomposition analysis shows that thermal transport through covalent bonds dominates the effective thermal conductivity over other contributions from nonbonded interactions (van der Waals) and translation of molecules disregarding the morphology. As a result, the more extended chains due to larger persistence length provide longer spatial paths for heat to transfer efficiently and thus lead to higher thermal conductivity. In addition, rigid rod-like polymers with very large persistence length tend to spontaneously crystallize and form orientated chains, leading to a thermal conductivity increase by more than 1 order of magnitude. Our results will provide important insights into the design of thermally conductive amorphous polymers.

  12. Role of Chain Morphology and Stiffness in Thermal Conductivity of Amorphous Polymers.

    Science.gov (United States)

    Zhang, Teng; Luo, Tengfei

    2016-02-01

    Designing thermally conductive polymer is of scientific interest and practical importance for applications like thermal interface materials, electronics packing, and plastic heat exchangers. In this work, we study the fundamental relationship between the molecular morphology and thermal conductivity in bulk amorphous polymers. We use polyethylene as a model system and performed systematic parametric study in molecular dynamics simulations. We find that the thermal conductivity is a strong function of the radius of gyration of the molecular chains, which is further correlated to persistence length, an intrinsic property of the molecule that characterizes molecular stiffness. Larger persistence length can lead to more extended chain morphology and thus higher thermal conductivity. Further thermal conductivity decomposition analysis shows that thermal transport through covalent bonds dominates the effective thermal conductivity over other contributions from nonbonded interactions (van der Waals) and translation of molecules disregarding the morphology. As a result, the more extended chains due to larger persistence length provide longer spatial paths for heat to transfer efficiently and thus lead to higher thermal conductivity. In addition, rigid rod-like polymers with very large persistence length tend to spontaneously crystallize and form orientated chains, leading to a thermal conductivity increase by more than 1 order of magnitude. Our results will provide important insights into the design of thermally conductive amorphous polymers. PMID:26751002

  13. Polymer solution phase separation: Microgravity simulation

    Science.gov (United States)

    Cerny, Lawrence C.; Sutter, James K.

    1989-01-01

    In many multicomponent systems, a transition from a single phase of uniform composition to a multiphase state with separated regions of different composition can be induced by changes in temperature and shear. The density difference between the phase and thermal and/or shear gradients within the system results in buoyancy driven convection. These differences affect kinetics of the phase separation if the system has a sufficiently low viscosity. This investigation presents more preliminary developments of a theoretical model in order to describe effects of the buoyancy driven convection in phase separation kinetics. Polymer solutions were employed as model systems because of the ease with which density differences can be systematically varied and because of the importance of phase separation in the processing and properties of polymeric materials. The results indicate that the kinetics of the phase separation can be performed viscometrically using laser light scattering as a principle means of following the process quantitatively. Isopycnic polymer solutions were used to determine the viscosity and density difference limits for polymer phase separation.

  14. Numerical solution of the polymer system

    Energy Technology Data Exchange (ETDEWEB)

    Haugse, V.; Karlsen, K.H.; Lie, K.-A.; Natvig, J.R.

    1999-05-01

    The paper describes the application of front tracking to the polymer system, an example of a nonstrictly hyperbolic system. Front tracking computes piecewise constant approximations based on approximate Remain solutions and exact tracking of waves. It is well known that the front tracking method may introduce a blow-up of the initial total variation for initial data along the curve where the two eigenvalues of the hyperbolic system are identical. It is demonstrated by numerical examples that the method converges to the correct solution after a finite time that decreases with the discretization parameter. For multidimensional problems, front tracking is combined with dimensional splitting and numerical experiments indicate that large splitting steps can be used without loss of accuracy. Typical CFL numbers are in the range of 10 to 20 and comparisons with the Riemann free, high-resolution method confirm the high efficiency of front tracking. The polymer system, coupled with an elliptic pressure equation, models two-phase, tree-component polymer flooding in an oil reservoir. Two examples are presented where this model is solved by a sequential time stepping procedure. Because of the approximate Riemann solver, the method is non-conservative and CFL members must be chosen only moderately larger than unity to avoid substantial material balance errors generated in near-well regions after water breakthrough. Moreover, it is demonstrated that dimensional splitting may introduce severe grid orientation effects for unstable displacements that are accentuated for decreasing discretization parameters. 9 figs., 2 tabs., 26 refs.

  15. Irreversible adsorption from concentrated polymer solutions

    Science.gov (United States)

    Auvray, Loïc; Cruz, Margerida; Auroy, Philippe

    1992-05-01

    We study the adsorption of concentrated Poly(dimethylsiloxane) (PDMS) solutions in Dichloromethane on porous silica. We vary the plymerization index N and the chain volume fraction Φ from the overlap concentration to the melt. The adsorption of PDMS on silica by hydrogen bonding is very strong and a large amount of polymer remains bound to the surface after the washing of the silica with a good solvent of the chains. We measure this quantity Γ by small angle neutron scattering. If there is no chain desorption, Γ represents the weight of polymer attached to the solid in the initial solution, which varies as the product N^{1/2} Φ^{7/8} according to a recent prediction. This relation of proportionality indeed interprets our experimental results. When the size of the chains is comparable to the pore diameter (either 500, 1 200, or 3 000 Å depending on the samples) we observe confinement effects which lower the adsorbed amount. Nous étudions d'adsorption de solutions concentrées de Poly(dimethylsiloxane) (PDMS) dans le chlorure de méthylène sur de la silice poreuse. Nous varions le degré de polymérisation N et la fraction volumique Φ des chaînes depuis la concentration de recouvrement jusqu'au fondu. L'adsorption de PDMS sur la silice par liaison hydrogène est très forte et une grande quantité de polymère reste liée à la surface après lavage de la silice par du bon solvant. Nous mesurons cette quantité Γ par diffusion centrale des neutrons. S'il n'y a pas eu désorption des chaînes, Γ représente le poids de polymère attaché au solide dans la solution initiale qui varie selon une prédiction récente comme le produit N^{1/2} Φ^{7/8}. Cette relation de proportionnalité rend effectivement compte de nos résultats. Quand la taille des chaînes est du même ordre de grandeur que le diamètre des pores (qui prend les valeurs 500, 1 200 et 3 000 Å selon les échantillons), nous observons des effets de confinement abaissant la quantité adsorbée.

  16. Structuring of polymer solutions upon solvent evaporation

    Science.gov (United States)

    Schaefer, C.; van der Schoot, P.; Michels, J. J.

    2015-02-01

    The morphology of solution-cast, phase-separated polymers becomes finer with increasing solvent evaporation rate. We address this observation theoretically for a model polymer where demixing is induced by steady solvent evaporation. In contrast to what is the case for a classical, thermal quench involving immiscible blends, the spinodal instability initially develops slowly and the associated length scale is not time invariant but decreases with time as t-1 /2. After a time lag, phase separation accelerates. Time lag and characteristic length exhibit power-law behavior as a function of the evaporation rate with exponents of -2 /3 and -1 /6 . Interestingly, at later stages the spinodal structure disappears completely while a second length scale develops. The associated structure coarsens but does not follow the usual Lifshitz-Slyozov-Wagner kinetics.

  17. Formation, Structure and Properties of Amorphous Carbon Char from Polymer Materials in Extreme Atmospheric Reentry Environments

    Science.gov (United States)

    Lawson, John W.

    2010-01-01

    Amorphous carbonaceous char produced from the pyrolysis of polymer solids has many desirable properties for ablative heat shields for space vehicles. Molecular dynamics simulations are presented to study the transformation of the local atomic structure from virgin polymer to a dense, disordered char [1]. Release of polymer hydrogen is found to be critical to allow the system to collapse into a highly coordinated char structure. Mechanisms of the char formation process and the morphology of the resulting structures are elucidated. Thermal conductivity and mechanical response of the resulting char are evaluated [2]. During reenty, the optical response and oxidative reactivity of char are also important properties. Results of ab initio computations of char optical functions [3] and char reactivity [4] are also presented.

  18. Vapour pressure osmometry determination of water activity of binary and ternary aqueous (polymer + polymer) solutions

    International Nuclear Information System (INIS)

    Highlights: • VPO determination of water activity for binary and ternary aqueous polymer solutions. • Vapour pressure of binary and ternary aqueous polymer solutions were determined. • Water activities were correlated using the segment-based NRTL and Wilson models. • Molar Gibbs free energy changes due to mixing were determined. - Abstract: Precise water activity measurements at T = 308.15 K were carried out on several binary (water + polymer) and ternary {water + polymer (1) + polymer (2)} systems using the vapour pressure osmometry (VPO) technique. Polymers were polyethylene glycol 400 (PEG400), polyethylene glycol 6000 (PEG6000), polypropylene glycol 400 (PPG400), polyvinylpyrrolidone (PVP) and dextran (DEX). The water activity results obtained were used to calculate the vapour pressure of solutions as a function of concentration and the segment-based local composition models, NRTL and Wilson, were used to correlate the experimental water activity values. It was found that, for the polymer concentration range studied here, the values of the water activity obtained for the binary (water + polymer) solutions decrease in the order DEX > PVP > PEG6000 > PPG400 > PEG400. Furthermore, water activities of solutions of each polymer in the aqueous solutions of (5, 10, 15 and 20)% (w/w) other polymers investigated were also measured at T = 308.15 K. The ability of polymer (1) in decreasing the water activity of binary {water + polymer (2)} solutions was discussed on the basis of the (polymer + water) and {polymer (1) + polymer (2)} interactions

  19. The Soft-Confined Method for Creating Molecular Models of Amorphous Polymer Surfaces

    KAUST Repository

    Liu, Hongyi

    2012-02-09

    The goal of this work was to use molecular dynamics (MD) simulations to build amorphous surface layers of polypropylene (PP) and cellulose and to inspect their physical and interfacial properties. A new method to produce molecular models for these surfaces was developed, which involved the use of a "soft" confining layer comprised of a xenon crystal. This method compacts the polymers into a density distribution and a degree of molecular surface roughness that corresponds well to experimental values. In addition, calculated properties such as density, cohesive energy density, coefficient of thermal expansion, and the surface energy agree with experimental values and thus validate the use of soft confining layers. The method can be applied to polymers with a linear backbone such as PP as well as those whose backbones contain rings, such as cellulose. The developed PP and cellulose surfaces were characterized by their interactions with water. It was found that a water nanodroplet spreads on the amorphous cellulose surfaces, but there was no significant change in the dimension of the droplet on the PP surface; the resulting MD water contact angles on PP and amorphous cellulose surfaces were determined to be 106 and 33°, respectively. © 2012 American Chemical Society.

  20. Structure-Property Relationships in Polymer Derived Amorphous/Nano-Crystalline Silicon Carbide for Nuclear Applications

    International Nuclear Information System (INIS)

    Silicon carbide (SiC) is a promising candidate for several applications in nuclear reactors owing to its high thermal conductivity, high melting temperature, good chemical stability, and resistance to swelling under heavy ion bombardment. However, fabricating SiC by traditional powder processing route generally requires very high temperatures for pressureless sintering. Polymer derived ceramic materials offer unique advantages such as ability to fabricate net shaped components, incorporate reinforcements and relatively low processing temperatures. Furthermore, for SiC based ceramics fabricated using polymer infiltration process (PIP), the microstructure can be tailored by controlling the processing parameters, to get an amorphous, nanocrystalline or crystalline SiC. In this work, fabrication of polymer derived amorphous and nano-grained SiC is presented and its application as an in-core material is explored. Monolithic SiC samples are fabricated by controlled pyrolysis of allyl-hydrido-poly-carbo-silane (AHPCS) under inert atmosphere. Chemical changes, phase transformations and microstructural changes occurring during the pyrolysis process are studied as a function of the processing temperature. Polymer cross-linking and polymer to ceramic conversion is studied using infrared spectroscopy (FTIR). Thermogravimetric analysis (TGA) and differential thermal analysis (DTA) are performed to monitor the mass loss and phase change as a function of temperature. X-ray diffraction studies are done to study the intermediate phases and microstructural changes. Variation in density is carefully monitored as a function of processing temperature. Owing to shrinkage and gas evolution during pyrolysis, precursor derived ceramics are inherently porous and composite fabrication typically involves repeated cycles of polymer re-infiltration and pyrolysis. However, there is a limit to the densification that can be achieved by this method and porosity in the final materials presents

  1. Pressure-induced amorphization of a dense coordination polymer and its impact on proton conductivity

    International Nuclear Information System (INIS)

    The proton conductivity of a dense coordination polymer (CP) was investigated under high-pressure conditions. Impedance measurements under high pressures revealed that the proton conductivity of the CP decreased more than 1000-fold at pressures of 3–7 GPa and that the activation energy for proton conduction almost doubled compared with that at ambient pressure. A synchrotron X-ray study under high pressure identified the amorphization process of the CP during compression, which rationally explains the decrease in conductivity and increase in activation energy. This phenomenon is categorized as reversible pressure-induced amorphization of a dense CP and is regarded as a demonstration of the coupling of the mechanical and electrical properties of a CP

  2. Deviations of the glass transition temperature in amorphous conjugated polymer thin films

    Science.gov (United States)

    Liu, Dan; Osuna Orozco, Rodrigo; Wang, Tao

    2013-08-01

    The deviations of the glass transition temperature (Tg) in thin films of an amorphous conjugated polymer poly(9,9-dioctylfluorene-co-N-(4-butylphenyl)diphenylamine) (TFB) are reported. Monotonic and nonmonotonic Tg deviations are observed in TFB thin films supported on Si-SiOx and poly(3,4-ethylenedioxythiophene) poly(styrenesulfonate) (PEDOT:PSS), respectively. A three-layer model is developed to fit both monotonic and nonmonotonic Tg deviations in these films. A 5-nm PEDOT:PSS capping layer was not found to be effective to remove the free-surface effect in Si-SiOx supported TFB films.

  3. Experimental and modelling studies of the shape memory properties of amorphous polymer network composites

    Science.gov (United States)

    Arrieta, J. S.; Diani, J.; Gilormini, P.

    2014-09-01

    Shape memory polymer composites (SMPCs) have become an important way to leverage improvements in the development of applications featuring shape memory polymers (SMPs). In this study, an amorphous SMP matrix has been filled with different types of reinforcements. An experimental set of results is presented and then compared to three-dimensional (3D) finite-element simulations. Thermomechanical shape memory cycles were performed in uniaxial tension. The fillers effect was studied in stress-free and constrained-strain recoveries. Experimental observations indicate complete shape recovery and put in evidence the increased sensitivity of constrained length stress recoveries to the heating ramp on the tested composites. The simulations reproduced a simplified periodic reinforced composite and used a model for the matrix material that has been previously tested on regular SMPs. The latter combines viscoelasticity at finite strain and time-temperature superposition. The simulations easily allow representation of the recovery properties of a reinforced SMP.

  4. Flow-induced phase separation in polymer solutions

    NARCIS (Netherlands)

    Moel, K. de; Flikkema, E.; Szleifer, I.; Brinke, G. ten

    1998-01-01

    A correct description of phase behaviour in polymer solutions requires a coupling between configurational statistics and thermodynamics. The effect of flow-induced chain deformation on the polymer-solvent interaction energy depends on the concentration and on the polymer architecture. It will be dem

  5. Nanoscale lubricating film formation by linear polymer in aqueous solution

    Science.gov (United States)

    Liu, Shuhai; Guo, Dan; Xie, Guoxin

    2012-11-01

    Film-forming properties of polymer in aqueous solution flowing through a nanogap have been investigated by using a thin film interferometry. The film properties of linear polymer in aqueous solution flowing through a confined nanogap depend on the ratio of water film thickness to averaged radius of polymer chains H0/RPolymer. It was found that the lubrication film thickness of linear polymer in aqueous solution decreases as the polymer molecular weight increasing when H0/RPolymer < 2 ˜ 3. A new lubrication map was proposed, which includes the lubrication regime of weak confinement influence, the lubrication regime of strong confinement influence (LRSCI), and the transition regime of confinement influence. It is very difficult to increase the lubrication film thickness using the higher molecule weight in the LRSCI regime. The lubrication mechanism inferred from our experimental results may help to better understand the dynamic film properties of linear polymer in aqueous solution flowing through a nanogap.

  6. Effects of the Terminal Structure, Purity, and Molecular Weight of an Amorphous Conjugated Polymer on Its Photovoltaic Characteristics.

    Science.gov (United States)

    Kuwabara, Junpei; Yasuda, Takeshi; Takase, Naoto; Kanbara, Takaki

    2016-01-27

    The photovoltaic characteristics of an amorphous polymer containing EDOT and fluorene units were investigated. In particular, the effects of the terminal structure, residual amount of Pd, and molecular weight were systematically investigated. Direct arylation polycondensation of EDOT followed by an established purification method readily afforded polymers with different terminal structures, Pd contents, and molecular weights. Of these factors, the terminal structure of the polymer was a crucial factor affecting the photovoltaic characteristics. For example, the polymer with a Br terminal had a PCE of 2.9% in bulk-heterojunction organic photovoltaics (BHJ OPVs) with a fullerene derivative, whereas the polymer without a Br terminal had a PCE of 4.6% in the same cell configuration. The decreased Pd residues and high molecular weights of the polymers increased the long-term stability of the devices. Moreover, BHJ OPVs containing the high-molecular-weight polymer could be fabricated with an environmentally friendly nonhalogenated solvent.

  7. Performance of dielectric nanocomposites: matrix-free, hairy nanoparticle assemblies and amorphous polymer-nanoparticle blends.

    Science.gov (United States)

    Grabowski, Christopher A; Koerner, Hilmar; Meth, Jeffrey S; Dang, Alei; Hui, Chin Ming; Matyjaszewski, Krzysztof; Bockstaller, Michael R; Durstock, Michael F; Vaia, Richard A

    2014-12-10

    Demands to increase the stored energy density of electrostatic capacitors have spurred the development of materials with enhanced dielectric breakdown, improved permittivity, and reduced dielectric loss. Polymer nanocomposites (PNCs), consisting of a blend of amorphous polymer and dielectric nanofillers, have been studied intensely to satisfy these goals; however, nanoparticle aggregates, field localization due to dielectric mismatch between particle and matrix, and the poorly understood role of interface compatibilization have challenged progress. To expand the understanding of the inter-relation between these factors and, thus, enable rational optimization of low and high contrast PNC dielectrics, we compare the dielectric performance of matrix-free hairy nanoparticle assemblies (aHNPs) to blended PNCs in the regime of low dielectric contrast to establish how morphology and interface impact energy storage and breakdown across different polymer matrices (polystyrene, PS, and poly(methyl methacrylate), PMMA) and nanoparticle loadings (0-50% (v/v) silica). The findings indicate that the route (aHNP versus blending) to well-dispersed morphology has, at most, a minor impact on breakdown strength trends with nanoparticle volume fraction; the only exception being at intermediate loadings of silica in PMMA (15% (v/v)). Conversely, aHNPs show substantial improvements in reducing dielectric loss and maintaining charge/discharge efficiency. For example, low-frequency dielectric loss (1 Hz-1 kHz) of PS and PMMA aHNP films was essentially unchanged up to a silica content of 50% (v/v), whereas traditional blends showed a monotonically increasing loss with silica loading. Similar benefits are seen via high-field polarization loop measurements where energy storage for ∼15% (v/v) silica loaded PMMA and PS aHNPs were 50% and 200% greater than respective comparable PNC blends. Overall, these findings on low dielectric contrast PNCs clearly point to the performance benefits of

  8. Free energy calculations of small molecules in dense amorphous polymers. Effect on the initial guess configuration in molecular dynamics studies

    OpenAIRE

    Vegt, de, F.; Briels, Wim J.; Wessling, Matthias; Strathmann, Heiner

    1996-01-01

    The excess free energy of small molecules in the amorphous polymers poly(ethylene) and poly(dimethylsiloxane) was calculated, using the test-particle-insertion method. The method was applied to polymer configurations obtained from molecular dynamics simulations with differently prepared initial guess configurations. It was found that the calculated solubility coefficients strongly depend on the quality of the initial guess configuration. Slow compression of dilute systems, during which proces...

  9. Fabrication of solution-processed hydrogenated amorphous silicon single junction solar cells

    OpenAIRE

    Masuda, Takashi; Sotani, Naoya; Hamada, Hiroki; Matsuki, Yasuo; Shimoda, Tatsuya

    2012-01-01

    Hydrogenated amorphous silicon solar cells were fabricated using solution-based processes. All silicon layers of the p-i-n junction were stacked by a spin-cast method using doped and non-doped polydihydrosilane solutions. Further, a hydrogen-radical treatment under vacuum conditions was employed to reduce spin density in the silicon films. Following this treatment, the electric properties of the silicon films were improved, and the power conversion efficiency of the solar cells was also incre...

  10. Ion exchange reactions in amorphous and crystalline aluminium silicates from solution of cerium salts

    International Nuclear Information System (INIS)

    Reactions of ion-exchange of Na+ by Ce3+ and NH4+ on the zeolite containing catalyst, amorphous silica alumina and zeolite Y have been studied. The cerium cations are shown to be exchanged by the Na+ cations with more selectivity than the anmonia cations. In the case of the zeolite containing catalyst and amorphous silica alumina the region of the staggered ion-exchange from the mixture of the solutions of cerium and ammonium sulphates was been detected. This is explained by the formation fo cerium complexes with the sulphate ions

  11. INTERMOLECULAR AND INTRAMOLECULAR INTERACTIONS OF POLYMER GUAR GUM IN SOLUTIONS

    Institute of Scientific and Technical Information of China (English)

    Yun-fei Yan; Hai-yang Yang; Wen-yong Liu; Ping-ping Zhu; Ping-sheng He

    2005-01-01

    The tetrahedral borate ion can crosslink with polymer guar gum in aqueous solutions. If the concentration of guar gum is less than 0.045 g/dL, the intramolecular interaction between guar gum and borate ion increases due to the formation of crosslinks. As a result, the polymer chains of guar gum in solution shrink in size and the reduced viscosity of polymer solution decreases accordingly. On the other hand, if the concentration of guar gum is greater than 0.045 g/dL, the intermolecular interaction becomes apparent due to the same reason. The polymer chains, therefore, associate together and the reduced viscosity of polymer solution increases considerably. According to this technique, the critical concentration c*,presented by de-Gennes[1], is determined successfully.

  12. Effect of polymer type and drug dose on the in vitro and in vivo behavior of amorphous solid dispersions.

    Science.gov (United States)

    Knopp, Matthias Manne; Chourak, Nabil; Khan, Fauzan; Wendelboe, Johan; Langguth, Peter; Rades, Thomas; Holm, René

    2016-08-01

    This study investigated the non-sink in vitro dissolution behavior and in vivo performance in rats of celecoxib (CCX) amorphous solid dispersions with polyvinyl acetate (PVA), polyvinylpyrrolidone (PVP) and hydroxypropyl methylcellulose (HPMC) at different drug doses. Both in vitro and in vivo, the amorphous solid dispersions with the hydrophilic polymers PVP and HPMC led to higher areas under both, the in vitro dissolution and the plasma concentration-time curves (AUC) compared to crystalline and amorphous CCX for all doses. In contrast, the amorphous solid dispersion with the hydrophobic polymer PVA showed a lower AUC both in vitro and in vivo than crystalline CCX. For crystalline CCX and CCX:PVA, the in vitro AUC was limited by the low solubility of the drug and the slow release of the drug from the hydrophobic polymer, respectively. For the supersaturating formulations, amorphous CCX, CCX:PVP and CCX:HPMC, the in vitro performance was mainly dependent on the dissolution rate and precipitation/crystallization inhibition of the polymer. As expected, the crystallization tendency increased with increasing dose, and therefore the in vitro AUCs did not increase proportionally with dose. Even though the in vivo AUC for all formulations increased with increasing dose, the relative bioavailability decreased significantly, indicating that the supersaturating formulations also crystallized in vivo and that the absorption of CCX was solubility-limited. These findings underline the importance of evaluating relevant in vitro doses, in order to rationally assess the performance of amorphous solid dispersions and avoid confusion in early in vivo studies. PMID:27212472

  13. Effect of polymer type and drug dose on the in vitro and in vivo behavior of amorphous solid dispersions.

    Science.gov (United States)

    Knopp, Matthias Manne; Chourak, Nabil; Khan, Fauzan; Wendelboe, Johan; Langguth, Peter; Rades, Thomas; Holm, René

    2016-08-01

    This study investigated the non-sink in vitro dissolution behavior and in vivo performance in rats of celecoxib (CCX) amorphous solid dispersions with polyvinyl acetate (PVA), polyvinylpyrrolidone (PVP) and hydroxypropyl methylcellulose (HPMC) at different drug doses. Both in vitro and in vivo, the amorphous solid dispersions with the hydrophilic polymers PVP and HPMC led to higher areas under both, the in vitro dissolution and the plasma concentration-time curves (AUC) compared to crystalline and amorphous CCX for all doses. In contrast, the amorphous solid dispersion with the hydrophobic polymer PVA showed a lower AUC both in vitro and in vivo than crystalline CCX. For crystalline CCX and CCX:PVA, the in vitro AUC was limited by the low solubility of the drug and the slow release of the drug from the hydrophobic polymer, respectively. For the supersaturating formulations, amorphous CCX, CCX:PVP and CCX:HPMC, the in vitro performance was mainly dependent on the dissolution rate and precipitation/crystallization inhibition of the polymer. As expected, the crystallization tendency increased with increasing dose, and therefore the in vitro AUCs did not increase proportionally with dose. Even though the in vivo AUC for all formulations increased with increasing dose, the relative bioavailability decreased significantly, indicating that the supersaturating formulations also crystallized in vivo and that the absorption of CCX was solubility-limited. These findings underline the importance of evaluating relevant in vitro doses, in order to rationally assess the performance of amorphous solid dispersions and avoid confusion in early in vivo studies.

  14. Dehydration and crystallization of amorphous calcium carbonate in solution and in air.

    Science.gov (United States)

    Ihli, Johannes; Wong, Wai Ching; Noel, Elizabeth H; Kim, Yi-Yeoun; Kulak, Alexander N; Christenson, Hugo K; Duer, Melinda J; Meldrum, Fiona C

    2014-01-01

    The mechanisms by which amorphous intermediates transform into crystalline materials are poorly understood. Currently, attracting enormous interest is the crystallization of amorphous calcium carbonate, a key intermediary in synthetic, biological and environmental systems. Here we attempt to unify many contrasting and apparently contradictory studies by investigating this process in detail. We show that amorphous calcium carbonate can dehydrate before crystallizing, both in solution and in air, while thermal analyses and solid-state nuclear magnetic resonance measurements reveal that its water is present in distinct environments. Loss of the final water fraction--comprising less than 15% of the total--then triggers crystallization. The high activation energy of this step suggests that it occurs by partial dissolution/recrystallization, mediated by surface water, and the majority of the particle then crystallizes by a solid-state transformation. Such mechanisms are likely to be widespread in solid-state reactions and their characterization will facilitate greater control over these processes.

  15. Clozapine-carboxylic acid plasticized co-amorphous dispersions: Preparation, characterization and solution stability evaluation

    Directory of Open Access Journals (Sweden)

    Ali Ahmed Mahmoud Abdelhaleem

    2015-06-01

    Full Text Available This study addressed the possibility of forming of co-amorphous systems between clozapine (CZ and various carboxylic acid plasticizers (CAPs. The aim was to improve the solubility and oral bioavailability of clozapine. Co-amorphous dispersions were prepared using modified solvent evaporation methodology at drug/plasticizer stoichiometric ratios of 1:1, 1:1.5 and 1:2. Solid state characterization was performed using differential scanning calorimetry, X-ray diffraction and infra red spectroscopy. Highly soluble homogeneous co-amorphous dispersions were formed between clozapine and CAPs via hydrogen bonding. The co-amorphous dispersions formed with tartaric acid (1:2 showed the highest dissolution percentage (> 95 % in 20 minutes compared to pure crystalline CZ (56 %. Highly stable solutions were obtained from co-amorphous CZ-citric and CZ-tartaric acid at 1:1.5 molar ratio. The prepared dispersions suggest the possibility of peroral or sublingual administration of highly soluble clozapine at a reduced dose with the great chance to bypass the first pass metabolism.

  16. EFFECT OF ADSORPTION ON THE VISCOSITY OF DILUTE POLYMER SOLUTION

    Institute of Scientific and Technical Information of China (English)

    Rong-shi Cheng; Yu-fang Shao; Ming-zhu Liu; Rong-qing Lu

    1999-01-01

    Careful measurements of the dilute solution viscosities of polyethylene glycol and polyvinyl alcohol in water were carried out. The reduced viscosities of both polymer solutions plot upward curves at extremely dilute concentration levels similar to the phenomena observed for many polymer solutions in the early 1950's. Upon observation of the changes of the flow times of pure water in and the wall surface wettability of the viscometer after measuring solution viscosity, a view was formed that the observed viscosity abnormality at extremely dilute concentration regions is solely due to the effect of adsorption of polymer chains onto the wall surface of viscometer. A theory of adsorption effect based on the Langmuir isotherms was proposed and a mathematical analysis for data treatment was performed. The theory could adequately describe the existing viscosity data. It seems necessary to correct the viscosity result of dilute polymer solutions measured by glass capillary viscometer by taking into account the effect of adsorption in all cases.

  17. Direct Uniaxial Alignment of a Donor-Acceptor Semiconducting Polymer Using Single-Step Solution Shearing.

    Science.gov (United States)

    Shaw, Leo; Hayoz, Pascal; Diao, Ying; Reinspach, Julia Antonia; To, John W F; Toney, Michael F; Weitz, R Thomas; Bao, Zhenan

    2016-04-13

    The alignment of organic semiconductors (OSCs) in the active layers of electronic devices can confer desirable properties, such as enhanced charge transport properties due to better ordering, charge transport anisotropy for reduced device cross-talk, and polarized light emission or absorption. The solution-based deposition of highly aligned small molecule OSCs has been widely demonstrated, but the alignment of polymeric OSCs in thin films deposited directly from solution has typically required surface templating or complex pre- or postdeposition processing. Therefore, single-step solution processing and the charge transport enhancement afforded by alignment continue to be attractive. We report here the use of solution shearing to tune the degree of alignment in poly(diketopyrrolopyrrole-terthiophene) thin films by controlling the coating speed. A maximum dichroic ratio of ∼7 was achieved on unpatterned substrates without any additional pre- or postdeposition processing. The degree of polymer alignment was found to be a competition between the shear alignment of polymer chains in solution and the complex thin film drying process. Contrary to previous reports, no charge transport anisotropy was observed because of the small crystallite size relative to the channel length, a meshlike morphology, and the likelihood of increased grain boundaries in the direction transverse to coating. In fact, the lack of aligned morphological structures, coupled with observed anisotropy in X-ray diffraction data, suggests the alignment of polymer molecules in both the crystalline and the amorphous regions of the films. The shear speed at which maximum dichroism is achieved can be controlled by altering deposition parameters such as temperature and substrate treatment. Modest changes in molecular weight showed negligible effects on alignment, while longer polymer alkyl side chains were found to reduce the degree of alignment. This work demonstrates that solution shearing can be used

  18. Computer simulations of phase separation in quenched polymer solutions

    OpenAIRE

    Geeter, de, Bastiaan Alexander

    2002-01-01

    This thesis describes the computational study of phase separation in polymer solutions after a temperature quench. For the simulation of this process Cahn-Hilliard simulations and Bond-Fluctuation Monte Carlo simulations were performed.

  19. Instanton solutions on the polymer harmonic oscillator

    CERN Document Server

    Olivares, Joan A Austrich; Vergara, J David

    2016-01-01

    Instanton methods are applied to the polymer harmonic oscillator. The zeroth energy eigenvalue on the entire polymer Hilbert space is obtained. The result is consistent with the band structure of the standard regular quantum pendulum. The band structure of the energy spectrum emerges with discrete topology and disappears in the formal limit $\\mu \\rightarrow 0$, which gives rise to the standard quantum harmonic oscillator spectrum.

  20. Pressure-volume-temperature and excess molar volume prediction of amorphous and crystallizable polymer blends by equation of state

    Institute of Scientific and Technical Information of China (English)

    Fakhri Yousefi; Hajir Karimi; Maryam Gomar

    2015-01-01

    In this work the statistical mechanical equation of state was developed for volumetric properties of crystal ine and amorphous polymer blends. The Ihm–Song–Mason equations of state (ISMEOS) based on temperature and density at melting point (Tm andρm) as scaling constants were developed for crystalline polymers such as poly(propylene glycol)+poly(ethylene glycol)-200 (PPG+PEG-200), poly(ethylene glycol) methyl ether-300 (PEGME-350)+PEG-200 and PEGME-350+PEG-600. Furthermore, for amorphous polymer blends con-taining poly(2,6-dimethyl-1,4-phenylene oxide) (PPO)+polystyrene (PS) and PS+poly(vinylmethylether) (PVME), the density and surface tension at glass transition (ρg andγg) were used for estimation of second Virial coefficient. The calculation of second Virial coefficients (B2), effective van der Waals co-volume (b) and correction factor (α) was required for judgment about applicability of this model. The obtained results by ISMEOS for crys-talline and amorphous polymer blends were in good agreement with the experimental data with absolute aver-age deviations of 0.84%and 1.04%, respectively.

  1. Investigation of Phase Mixing in Amorphous Solid Dispersions of AMG 517 in HPMC-AS Using DSC, Solid-State NMR, and Solution Calorimetry.

    Science.gov (United States)

    Calahan, Julie L; Azali, Stephanie C; Munson, Eric J; Nagapudi, Karthik

    2015-11-01

    Intimate phase mixing between the drug and the polymer is considered a prerequisite to achieve good physical stability for amorphous solid dispersions. In this article, spray dried amorphous dispersions (ASDs) of AMG 517 and HPMC-as were studied by differential scanning calorimetry (DSC), solid-state NMR (SSNMR), and solution calorimetry. DSC analysis showed a weakly asymmetric (ΔTg ≈ 13.5) system with a single glass transition for blends of different compositions indicating phase mixing. The Tg-composition data was modeled using the BKCV equation to accommodate the observed negative deviation from ideality. Proton spin-lattice relaxation times in the laboratory and rotating frames ((1)H T1 and T1ρ), as measured by SSNMR, were consistent with the observation that the components of the dispersion were in intimate contact over a 10-20 nm length scale. Based on the heat of mixing calculated from solution calorimetry and the entropy of mixing calculated from the Flory-Huggins theory, the free energy of mixing was calculated. The free energy of mixing was found to be positive for all ASDs, indicating that the drug and polymer are thermodynamically predisposed to phase separation at 25 °C. This suggests that miscibility measured by DSC and SSNMR is achieved kinetically as the result of intimate mixing between drug and polymer during the spray drying process. This kinetic phase mixing is responsible for the physical stability of the ASD.

  2. Mechanism of sulfide effect on viscosity of HPAM polymer solution

    Institute of Scientific and Technical Information of China (English)

    康万利; 周阳; 王志伟; 孟令伟; 刘述忍; 白宝君

    2008-01-01

    The effect of sulfide on HPAM solution viscosity was studied using BROOKFIELD DV-II viscometer,and the interaction mechanism was discussed.The HPAM solution viscosity was investigated through fully reducing sulfide by the addition of hydrogen peroxide oxidation,and the mechanism of increasing polymer viscosity was investigated.The experimental results also show that there is a critical concentration of 15 mg/L.Below it,the loss rate of HPAM solution viscosity increases more rapidly,but becomes slowly above the critical concentration.A theoretical guidance for oilfields to prepare polymer solution using sewage-water by eliminating sulfide,and it is also importance to prepare polymer solution using sewage-water and save fresh water.

  3. Phase Equilibria for Complex Polymer Solutions

    DEFF Research Database (Denmark)

    Lindvig, Thomas; Hestkjær, L. L.; Hansen, A. F.;

    2002-01-01

    Many commercially important mixtures contain complex polymers, e.g. paints and coatings. If a good thermodynamic description can be given of these systems it is possible to develop paints, which possess a certain set of properties and at the same time meet some basic requirement as, e.g. regardin...

  4. Rapid decolorization of Acid Orange Ⅱ aqueous solution by amorphous zero-valent iron

    Institute of Scientific and Technical Information of China (English)

    Changqin Zhang; Zhengwang Zhu; Haifeng Zhang; Zhuangqi Hu

    2012-01-01

    Some problems including low treatment capacity,agglomeration and clogging phenomena,and short working life,limit the application of pre-treatment methods involving zero-valent iron (ZVI).In this article,ZVI was frozen in an amorphous state through a melt-spinning technique,and the decolorization effect of amorphous ZVI on Acid Orange Ⅱ solution was investigated under varied conditions of experimental variables such as reaction temperature,ribbon dosage,and initial pH.Batch experiments suggested that the decolorization rate was enhanced with the increase of reaction temperature and ribbon dosage,but decreased with increasing initial solution pH.Kinetic analyses indicated that the decolorization process followed a first order exponential kinetic model,and the surface-normalized decolorization rate could reach 2.09 L/(m2·min) at room temperature,which was about ten times larger than any previously reported under similar conditions.Recycling experiments also proved that the ribbons could be reused at least four times without obvious decay of decolorization rate and efficiency.This study suggests a tremendous application potential for amorphous ZVI in remediation of groundwater or wastewater contaminated with azo dyes.

  5. Improving battery safety by reducing the formation of Li dendrites with the use of amorphous silicon polymer anodes

    OpenAIRE

    Hitoshi Maruyama; Hideyuki Nakano; Masahiro Ogawa; Masaaki Nakamoto; Toshiaki Ohta; Akira Sekiguchi

    2015-01-01

    To provide safe lithium-ion batteries (LIBs) at low cost, battery materials which lead to reduced Li dendrite formation are needed. The currently used anode materials have low redox voltages that are very close to the redox potential for the formation of Li metal, which leads to severe short circuiting. Herein, we report that when the three-dimensional amorphous silicon polymers poly(methylsilyne) and poly(phenylsilyne) are used as anode materials, dendritic Li formation on the anode surface ...

  6. Controlling molecular ordering in solution-state conjugated polymers.

    Science.gov (United States)

    Zhu, J; Han, Y; Kumar, R; He, Y; Hong, K; Bonnesen, P V; Sumpter, B G; Smith, S C; Smith, G S; Ivanov, I N; Do, C

    2015-10-01

    Rationally encoding molecular interactions that can control the assembly structure and functional expression in a solution of conjugated polymers hold great potential for enabling optimal organic optoelectronic and sensory materials. In this work, we show that thermally-controlled and surfactant-guided assembly of water-soluble conjugated polymers in aqueous solution is a simple and effective strategy to generate optoelectronic materials with the desired molecular ordering. We have studied a conjugated polymer consisting of a hydrophobic thiophene backbone and hydrophilic, thermo-responsive ethylene oxide side groups, which shows a step-wise, multi-dimensional assembly in water. By incorporating the polymer into phase-segregated domains of an amphiphilic surfactant in solution, we demonstrate that both chain conformation and degree of molecular ordering of the conjugated polymer can be tuned in hexagonal, micellar and lamellar phases of the surfactant solution. The controlled molecular ordering in conjugated polymer assembly is demonstrated as a key factor determining the electronic interaction and optical function.

  7. Dispersive Non-Geminate Recombination in an Amorphous Polymer:Fullerene Blend

    Science.gov (United States)

    Kurpiers, Jona; Neher, Dieter

    2016-05-01

    Recombination of free charge is a key process limiting the performance of solar cells. For low mobility materials, such as organic semiconductors, the kinetics of non-geminate recombination (NGR) is strongly linked to the motion of charges. As these materials possess significant disorder, thermalization of photogenerated carriers in the inhomogeneously broadened density of state distribution is an unavoidable process. Despite its general importance, knowledge about the kinetics of NGR in complete organic solar cells is rather limited. We employ time delayed collection field (TDCF) experiments to study the recombination of photogenerated charge in the high-performance polymer:fullerene blend PCDTBT:PCBM. NGR in the bulk of this amorphous blend is shown to be highly dispersive, with a continuous reduction of the recombination coefficient throughout the entire time scale, until all charge carriers have either been extracted or recombined. Rapid, contact-mediated recombination is identified as an additional loss channel, which, if not properly taken into account, would erroneously suggest a pronounced field dependence of charge generation. These findings are in stark contrast to the results of TDCF experiments on photovoltaic devices made from ordered blends, such as P3HT:PCBM, where non-dispersive recombination was proven to dominate the charge carrier dynamics under application relevant conditions.

  8. Electrical analysis of amorphous corn starch-based polymer electrolyte membranes doped with LiI

    Science.gov (United States)

    Shukur, M. F.; Ibrahim, F. M.; Majid, N. A.; Ithnin, R.; Kadir, M. F. Z.

    2013-08-01

    In this work, polymer electrolytes have been prepared by doping starch with lithium iodide (LiI). The incorporation of 30 wt% LiI optimizes the room temperature conductivity of the electrolyte at (1.83 ± 0.47) × 10-4 S cm-1. Further conductivity enhancement to (9.56 ± 1.19) × 10-4 S cm-1 is obtained with the addition of 30 wt% glycerol. X-ray diffraction analysis indicates that the conductivity enhancement is due to the increase in amorphous content. The activation energy, Ea, of 70 wt% starch-30 wt% LiI electrolyte is 0.26 eV, while 49 wt% starch-21 wt% LiI-30 wt% glycerol electrolyte exhibits an Ea of 0.16 eV. Dielectric studies show that all the electrolytes obey non-Debye behavior. The power law exponent s is obtained from the variation of dielectric loss, ɛi, with frequency at different temperatures. The conduction mechanism of 70 wt% starch-30 wt% LiI electrolyte can be explained by the correlated barrier hopping model, while the conduction mechanism for 49 wt% starch-21 wt% LiI-30 wt% glycerol electrolyte can be represented by the quantum mechanical tunneling model.

  9. Electrical analysis of amorphous corn starch-based polymer electrolyte membranes doped with LiI

    International Nuclear Information System (INIS)

    In this work, polymer electrolytes have been prepared by doping starch with lithium iodide (LiI). The incorporation of 30 wt% LiI optimizes the room temperature conductivity of the electrolyte at (1.83 ± 0.47) × 10−4 S cm−1. Further conductivity enhancement to (9.56 ± 1.19) × 10−4 S cm−1 is obtained with the addition of 30 wt% glycerol. X-ray diffraction analysis indicates that the conductivity enhancement is due to the increase in amorphous content. The activation energy, Ea, of 70 wt% starch–30 wt% LiI electrolyte is 0.26 eV, while 49 wt% starch–21 wt% LiI–30 wt% glycerol electrolyte exhibits an Ea of 0.16 eV. Dielectric studies show that all the electrolytes obey non-Debye behavior. The power law exponent s is obtained from the variation of dielectric loss, εi, with frequency at different temperatures. The conduction mechanism of 70 wt% starch–30 wt% LiI electrolyte can be explained by the correlated barrier hopping model, while the conduction mechanism for 49 wt% starch–21 wt% LiI–30 wt% glycerol electrolyte can be represented by the quantum mechanical tunneling model. (paper)

  10. Interaction of derived polymers from pyrrole with biocompatible solutions

    International Nuclear Information System (INIS)

    This work presents a study about the synthesis by plasma, the electric properties and superficial interaction of polymers derived from pyrrole doped with Iodine with potential use as bio material. Poly-pyrrole is a semiconductor and biocompatible polymer with potential application in the development of artificial muscles and implants where the electric interaction between cells and material is an important variable. The syntheses were made at 13.5 MHz in a glass tubular reactor of 1500 cm3 with electrodes of 6.5 cm diameter and stainless steel flanges. An electrode was connected to the RF terminal of the power supply that is combined with a matching coupling resistance. The monomer and dopant used in this work were pyrrole and Iodine respectively, in closed containers. They were vaporized and injected separately into the reactor at room temperature and 0.1 mbar. The vapors of the reagents mixed freely in the reactor. The synthesis time was 240 min at 40, 60, 80 and 100 W. The polymers were obtained as thin films adhered to the reactor walls. The films were washed and swollen with distilled water and removed from the reactor walls with a small spatula. The polymers were irradiated with gamma rays at 18 and 22 KGy. Due to the fact that the doses are cumulative, the final dose applied was 40 KGy. The polymers characterization was carried out by Fourier Transform Infrared Spectroscopy, thermogravimetric analysis (TGA), scanning electron microscopy, contact angle, electrical conductivity and X-ray diffraction. The analyses indicates that the polymers have very similar structure in almost the entire power range, showing C-O, C=C, C-H, O-H, N-H bonds with a predominantly amorphous structure. The TGA analyses showed that the material has 4 or 5 loses of material. The first one starts after that 115 C except for the material irradiated at 40 KGy, this one begins in 87 C, the second one is in the interval of 196 and 295 C, the third one between 311 and 500 C, and the last

  11. Submicron flow of polymer solutions: slippage reduction due to confinement.

    Science.gov (United States)

    Cuenca, Amandine; Bodiguel, Hugues

    2013-03-01

    Pressure-driven flows of high molecular weight polyacrylamide solutions are examined in nanoslits using fluorescence photobleaching. The effective viscosity of polymer solutions decreases when the channel height decreases below the micron scale. In addition, the apparent slippage of the solutions is characterized macroscopically on similar surfaces. Though slippage can explain qualitatively the effective viscosity reduction, a quantitative comparison shows that the slip length is greatly reduced below the micron scale. This result indicates that chain migration is suppressed in confined geometries.

  12. Synthesis and Solution Properties of Hydrophobic Associating Polymers

    Institute of Scientific and Technical Information of China (English)

    任鲲; 姜桂元; 徐春明; 林梅钦

    2005-01-01

    Acrylamide/2-acrylamido alkane sulfonic acid hydrophobic associating copolymers were synthesized by micellar copolymerization. Effects of hydrophobe content, polymer concentration, salinity and surfactant on rheological behavior of copolymers were investigated and the conformation of polymers in solution was studied by means of environmental scanning electronic microscopy and dynamic light scattering. The experimental results showed that in the dilute regime the hydrophobic parts could interact intramolecularly, while in the regime where the polymer concentration was higher than the critical association concentration, intermolecular hydrophobic association became predominant. Within the limit of the solubility, the critical association concentration of the polymer decreased with the increase of the salinity. The experimental results of the solution conformation indicated the presence of the three-dimensional network structure in deionized water and the size of the mesh in the network varied with the polymer concentration. In NaG1 solution, above the critical association concentration, an increase in polymer concentration enhanced the intermolecular association and also enlarged the hydrodynamic radius. It would result in the imorovement of the thickening power of polvmers.

  13. Structure formation in solution ionic polymers and colloidal particles

    CERN Document Server

    Ise, Norio

    2005-01-01

    This book is designed to critically review experimental findings on ionic polymers and colloidal particles and to prove a theoretical framework based on the Poisson-Boltzmann approach. Structure formation in ionic polymer solutions has attracted attention since the days of H. Staudinger and J. D. Bernal. An independent study on ionic colloidal dispersions with microscopy provided a compelling evidence of structure formation. Recent technical developments have made it possible to accumulate relevant information for both ionic polymers and colloidal particles in dilute systems. The outstanding phenomenon experimentally found is microscopic inhomogeneity in the solute distribution in macroscopically homogeneous systems.To account for the observation, the present authors have invoked the existence of the counterion-mediated attraction between similarly charged solute species, in addition to the widely accepted electrostatic repulsion.

  14. Low-temperature solution-processed amorphous indium tin oxide field-effect transistors.

    Science.gov (United States)

    Kim, Hyun Sung; Kim, Myung-Gil; Ha, Young-Geun; Kanatzidis, Mercouri G; Marks, Tobin J; Facchetti, Antonio

    2009-08-12

    Amorphous indium tin oxide (ITO)-based thin-film transistors (TFTs) were fabricated on various dielectrics [SiO(2) and self-assembled nanodielectrics (SANDs)] by spin-coating an ITO film precursor solution consisting of InCl(3) and SnCl(4) as the sources of In(3+) and Sn(4+), respectively, methoxyethanol (solvent), and ethanolamine (base). These films can be annealed at temperatures T(a) 0.2 cm(2) V(-1) s(-1), which is encouraging for processing on plastic substrates.

  15. A lattice Boltzmann method for dilute polymer solutions.

    Science.gov (United States)

    Singh, Shiwani; Subramanian, Ganesh; Ansumali, Santosh

    2011-06-13

    We present a lattice Boltzmann approach for the simulation of non-Newtonian fluids. The method is illustrated for the specific case of dilute polymer solutions. With the appropriate local equilibrium distribution, phase-space dynamics on a lattice, driven by a Bhatnagar-Gross-Krook (BGK) relaxation term, leads to a solution of the Fokker-Planck equation governing the probability density of polymer configurations. Results for the bulk rheological characteristics for steady and start-up shear flow are presented, and compare favourably with those obtained using Brownian dynamics simulations. The new method is less expensive than stochastic simulation techniques, particularly in the range of small to moderate Weissenberg numbers (Wi).

  16. Segment Orientation and Optical Birefringence of Amorphous Polymers Under Tensile Deformation: Novel Computational Method applied to Different Glassy Polycarbonates

    Science.gov (United States)

    Natarajan, Upendra; Sulatha, M. S.

    2005-03-01

    Orientation dependent optical properties of Bisphenol A polycarbonate and two aliphatic substituted polycarbonates in glassy phase have been studied by atomistic modeling using molecular mechanics simulations under tensile deformation. Probability distributions and orientation functions show that phenylene rings and carbonate groups vectors along the main chain orient towards stretching direction following deformation. Interchain packing of rings and carbonates become ordered with strain. Efficient computational approach for calculation of optical birefringence of amorphous polymers is presented and applied to the polycarbonates in detail. Polarizability anisotropy of the polymer segments and chain as a function of deformation is calculated by combining information on the conformations and group polarizabilities, and used to estimate birefringence during deformation. Simulated and experimental values for segment orientation and bulk birefringence are in very good agreement. Effect of the optical properties of atomic groups on bulk birefringence is brought forth for the first time by molecular simulation for polymers other than polyethylene.

  17. External field-assisted solution synthesis and selectively catalytic properties of amorphous iron nanoplatelets

    Energy Technology Data Exchange (ETDEWEB)

    Guan, Jianguo; Yan, Gongqin; Wang, Wei; Liu, Jun

    2012-03-07

    This work describes an easy and flexible approach for the synthesis of 2D nanostructures by external composite field-induced self-assembly. Amorphous iron nanoplatelets with a large aspect ratio were prepared by reducing a concentrated FeSO4 solution with NaBH4 without any templates or surfactants under a magnetic field and a shear field, and characterized by field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), selected area electron diffraction (SAED), energy dispersive X-ray spectroscopy (EDX) and X-ray diffraction (XRD). Based on the morphological dependence of the resultant iron nanostructures on the kinetic parameters such as reactant concentration, reaction temperature, external fields as well as reaction time, etc., a novel conceivable formation mechanism of the iron nanoplatelets was substantiated to be a self-assembly of concentrated iron nuclei induced by the synergistic effect of both a magnetic field and a shear field. Due to the amorphous nature and shape anisotropy, the as-synthesized iron nanoplatelets exhibit quite different magnetic properties with an enhanced coercivity of >220 Oe from isotropic iron nanoparticles. In the oxidation of cyclohexane with hydrogen peroxide as a 'green' oxidant, the as-obtained amorphous iron nanoplatelets show a conversion more than 84% and a complete selectivity for cyclohexanol and cyclohexanone due to the unique structure. Moreover, their catalytic performances are strongly influenced by their morphology, and the iron atoms located on the faces tend to catalyze the formation of cyclohexanol while those on the sides tend to catalyze the formation of cyclohexanone. The external composite field-induced solution synthesis reported here can be readily explored for fabricating other 2D magnetic nanoplatelets, and the resulting iron nanoplatelets are promising for a number of applications such as high efficient selective catalysis, energy, environment fields and so forth.

  18. Precipitation of Co(2+) carbonates from aqueous solution: insights on the amorphous to crystalline transformation.

    Science.gov (United States)

    González-López, Jorge; Fernández-González, Ángeles; Jiménez, Amalia

    2016-04-01

    Cobalt is toxic metal that is present only as a trace in the Earth crust. However, Co might concentrate on specific areas due to both natural and anthropogenic factors and thus, soils and groundwater can be contaminated. It is from this perspective that we are interested in the precipitation of cobalt carbonates, since co-precipitation with minerals phases is a well-known method for metal immobilization in the environment. In particular, the carbonates are widely used due to its reactivity and natural abundance. In order to evaluate the cobalt carbonate precipitation at room temperature, a simple experimental work was carried out in this work. The precipitation occurred via reaction of two common salts: 0.05M of CoCl2 and 0.05M of Na2CO3 in aqueous solution. After reaction, the precipitated solid was kept in the remaining water at 25 oC and under constant stirring for different aging times of 5 min, 1 and 5 hours, 1, 2, 4, 7, 30 and 60 days. In addition to the aging and precipitation experiments, we carried out experiments to determine the solubility of the solids. In these experiments each precipitate was dissolved in Milli-Q water until equilibrium was reached and then the aqueous solution was analyzed regarding Co2+ and total alkalinity. Furthermore, acid solution calorimetry of the products were attained. Finally, we modeled the results using the PHREEQC code. Solid and aqueous phase identification and characterization have been extensively reported in a previous work (González-López et al., 2015). The main results of our investigation were the initial precipitation of an amorphous cobalt carbonate that evolve towards a poorly crystalline cobalt hydroxide carbonate with aging treatment. Solubility of both phases have been calculated under two different approaches: precipitation and dissolution. Values of solubility from each approach were obtained with a general error due to differences in experiment conditions, for instance, ionic strength, temperature and

  19. Ideal solution behaviour of glassy Cu–Ti, Zr, Hf alloys and properties of amorphous copper

    Energy Technology Data Exchange (ETDEWEB)

    Ristić, R. [Department of Physics, University of Osijek, Trg Ljudevita Gaja 6, HR-3100 Osijek (Croatia); Cooper, J.R. [Department of Physics, Cavendish Laboratory, J.J. Thomson Avenue, CB3 0HE Cambridge (United Kingdom); Zadro, K.; Pajić, D. [Department of Physics, Faculty of Science, Bijenička cesta 32, HR-10002 Zagreb (Croatia); Ivkov, J. [Institute of Physics, Bijenička cesta 46, HR-10002 Zagreb (Croatia); Babić, E. [Department of Physics, Faculty of Science, Bijenička cesta 32, HR-10002 Zagreb (Croatia)

    2015-02-05

    Highlights: • Ideal solution behaviour (ISB) is established in all Cu–Ti, Zr, Hf glassy alloys. • ISB enables reliable estimates for various properties of amorphous Cu. • ISB also impacts glass forming ability in these and probably other similar alloys. - Abstract: A comprehensive study of selected properties of amorphous (a) Cu–TE alloys (TE = Ti, Zr and Hf) has been performed. Data for average atomic volumes of a-Cu–Hf, Ti alloys combined with literature data show that ideal solution behaviour (Vegard’s law) extends over the whole glass forming range (GFR) in all a-Cu–TE alloys. This enables one to obtain an insight into some properties and probable atomic arrangements for both, a-TEs (Ristić et al., 2010) and a-Cu by extrapolation of the data for alloys. Indeed the atomic volumes and other properties studied for all a-Cu–TE alloys extrapolate to the same values for a-Cu. Depending on the property, these values are either close to those of crystalline (c) Cu, or are close to those for liquid (L) Cu. In particular, the electronic transport properties of a-Cu seem close to those of L-Cu, whereas the static properties, such as the density of states, and Young’s modulus, converge to those of c-Cu. The possible impact of these results on our understanding of a-Cu–TE alloys, including glass forming ability, is discussed.

  20. Solid solution or amorphous phase formation in TiZr-based ternary to quinternary multi-principal-element films

    Directory of Open Access Journals (Sweden)

    Mariana Braic

    2014-08-01

    The deposited films exhibited only solid solution (fcc, bcc or hcp or amorphous phases, no intermetallic components being detected. It was found that the hcp structure was stabilized by the presence of Hf or Y, bcc by Nb or Al and fcc by Cu. For the investigated films, the atomic size difference, mixing enthalpy, mixing entropy, Gibbs free energy of mixing and the electronegativity difference for solid solution and amorphous phases were calculated based on Miedema׳s approach of the regular solution model. It was shown that the atomic size difference and the ratio between the Gibbs free energies of mixing of the solid solution and amorphous phases were the most significant parameters controlling the film crystallinity.

  1. Scattered intensity from weakly charged cyclic polymer blends in solution

    OpenAIRE

    Bensafi, A.; Benhamou, M.; Khaldi, S.; Benahmed, H.; S Mansouri; Souali, S.; Bouzina, L.; Abdellaoui, I.; Yakoubi, L.

    2007-01-01

    24 pages In this paper, we theoretically investigate the scattering properties of a ternary solution made of two weakly charged cyclic polymers, of different chemical nature. These properties are studied through the total structure factor. The latter is computed using a generalized Zimm single-contact formula. The total structure factor versus the wave-vector is reported for several charge distributions of polyions. Our results are compared to those already observed for solutions of weakly...

  2. Enhancement of flagellated bacterial motility in polymer solutions

    Science.gov (United States)

    Zhang, Wenyu; Sha, Sha; Pelcovits, Robert; Tang, Jay

    2015-11-01

    Measurements of the swimming speed of many species of flagellated bacteria in polymer solutions have shown that with the addition of high molecular weight polymers, the speed initially increases as a function of the kinematic viscosity. It peaks at around 1.5-2 cP with typically 10-30% higher values than in cell media without added polymers (~ 1 cP). Past the peak, the average speed gradually decreases as the solution becomes more viscous. Swimming motility persists until solution viscosity reaches 5-10 cP. Models have been proposed to account for this behavior, and the magnitude of the peak becomes a crucial test of theoretical predictions. The status of the field is complicated in light of a recent report (Martinez et al., PNAS, 2014), stressing that low-molecular weight impurities account for the peaked speed-viscosity curves in some cases. We measured the swimming speed of a uni-flagellated bacterium, caulobacter crescentus, in solutions of a number of polymers of several different sizes. Our findings confirm the peaked speed-viscosity curve, only as the molecular weight of the flexible polymers used surpassed ~ 50,000 da. The threshold molecular weight required to augment swimming speed varies somewhat with the polymer species, but it generally corresponds to radius of gyration over tens of nanometers. This general feature is consistent with the model of Powers et al. (Physics of Fluid, 2009), predicting that nonlinear viscoelasticity of the fluid enhances swimming motility. Work Supported by the NSF Fluid Physics Program (Award number CBET 1438033).

  3. Predicting morphologies of solution processed polymer: Fullerene blends

    NARCIS (Netherlands)

    Kouijzer, S.; Michels, J.J.; Berg, M. van den; Gevaerts, V.S.; Turbiez, M.; Wienk, M.M.; Janssen, R.A.J.

    2013-01-01

    The performance of solution processed polymer:fullerene thin film photovoltaic cells is largely determined by the nanoscopic and mesoscopic morphology of these blends that is formed during the drying of the layer. Although blend morphologies have been studied in detail using a variety of microscopic

  4. LIQUID-LIQUID PHASE EQUILIBRIUM OF POLYMER SOLUTIONS AND POLYMER BLENDS UNDER POSITIVE AND NEGATIVE PRESSURE

    Institute of Scientific and Technical Information of China (English)

    Attila R.Imre

    2003-01-01

    In this paper we would like to give a brief review about the extensibility of the liquid-liquid locus into the negative pressure region. Negative pressure states are hardly explored; most researchers believe that the pressure scale ends at p = 0.We would like to show that this is not true, thep = 0 point is not a special point for liquids, it can be "easily" crossed. We are going to give a few example, where the extension of liquid-liquid locus for polymer blends and solutions below p = 0 gives us some interesting results, like the merging of UCST and LCST branches in weakly interacting polymer solutions or the reason why most UCST blends exhibit pressure induced immiscibility. Also, we will see what happens with the immiscibility island of aqueous polymer solutions when - reaching the critical molar mass - it "disappears".

  5. LIQUID—LIQUID PHASE EQUILIBRIUM OF POLYMER SOLUTIONS AND POLYMER BLENDS UNDER POSITIVE AND NEGATIVE PRESSURE

    Institute of Scientific and Technical Information of China (English)

    AttilaR.Imre

    2003-01-01

    In this paper we would like to give a brief review about the extensibility of the liquid-liquid locus into the negative pressure region.Negative pressure states are hardly explored;most researchers believe that the pressure scale ends at p=0. We would like to show that this is not true3 the p=0 point is not a special point for liquids,it can be “easily” crossed.We are going to give a few example,where the extension of liquid-liquid locus for polymer blends and solutions below p=0 gives us some interesting results,like the merging of UCST and LCST branches in weakly interacting polymer solutions or the reason why most UCST blends exhibit pressure induced immiscibility.Also,we will see what happens with the immiscibility island of aqueous polymer solutions when-reaching the critical molar mass-it “disappears”.

  6. Cake Filtration in Viscoelastic Polymer Solutions

    Science.gov (United States)

    Surý, Alexander; Machač, Ivan

    2009-07-01

    In this contribution, the filtration equations for a cake filtration in viscoelastic fluids are presented. They are based on a capillary hybrid model for the flow of a power law fluid. In order to express the elastic pressure drop excess in the flow of viscoelastic filtrate through the filter cake and filter screen, modified Deborah number correction functions are included into these equations. Their validity was examined experimentally. Filtration experiments with suspensions of hardened polystyrene particles (Krasten) in viscoelastic aqueous solutions of polyacryl amides (0.4% and 0.6%wt. Kerafloc) were carried out at a constant pressure on a cylindrical filtration unit using filter screens of different resistance.

  7. Characterization of amorphous yttria layers deposited by aqueous solutions of Y-chelate alkoxides complex

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young-Soon, E-mail: kyscjb@i-sunam.com; Lee, Yu-Ri; Kim, Byeong-Joo; Lee, Jae-Hun; Moon, Seung-Hyun; Lee, Hunju

    2015-01-15

    Highlights: • Economical method for crack-free amorphous yttria layer deposition by dip coating. • Simpler process for planar yttria film as a diffusion barrier and nucleation layer. • Easy control over the film properties with better characteristics. • Easy control over the thickness of the deposited films. • A feasible process that can be easily adopted by HTSCC industries. - Abstract: Crack-free amorphous yttria layers were deposited by dip coating in solutions of different Y-chelate alkoxides complex. Three Y-chelate solutions of different concentrations were prepared using yttrium acetate tetrahydrate, yttrium stearic acid as Y source materials. PEG, diethanolamine were used as chelating agents, while ethanol, methanol and tetradecane were used as solvent. Three different combinations of chelating and solvents were used to prepare solutions for Y{sub 2}O{sub 3} dip coating on SUS, electropolished and non-electropolished Hastelloy C-276 substrates. The thickness of the films was varied by changing the number of dipping cycles. At an optimized condition, the substrate surface roughness (rms) value was reduced from ∼50 nm to ∼1 nm over a 10 × 10 μm{sup 2} area. After Y{sub 2}O{sub 3} deposition, MgO was deposited using ion-beam assisted deposition (IBAD), then LaMnO{sub 3} (LMO) was deposited using sputtering and GdBCO was deposited using reactive co-evaporation by deposition and reaction (RCE-DR). Detailed X-ray study indicates that LMO/MgO/Y{sub 2}O{sub 3} and GdBCO/LMO/MgO/Y{sub 2}O{sub 3} stack films have good out-of-plane and in-plane textures with strong c-axis alignment. The critical current (Ic) of GdBCO/LMO/MgO/Y{sub 2}O{sub 3} multilayer structure varied from 190 to 420 A/cm with different solutions, when measured at 77 K. These results demonstrated that amorphous yttria can be easily deposited by dip coating using Y-chelates complex as a diffusion barrier and nucleation layer.

  8. Numerical Simulation and Experimental Investigation of the Viscoelastic Heating Mechanism in Ultrasonic Plasticizing of Amorphous Polymers for Micro Injection Molding

    Directory of Open Access Journals (Sweden)

    Bingyan Jiang

    2016-05-01

    Full Text Available Ultrasonic plasticizing of polymers for micro-injection molding has been proposed and studied for its unique potential in materials and energy-saving. In our previous work, we have demonstrated the characteristics of the interfacial friction heating mechanism in ultrasonic plasticizing of polymer granulates. In this paper, the other important heating mechanism in ultrasonic plasticizing, i.e., viscoelastic heating for amorphous polymer, was studied by both theoretical modeling and experimentation. The influence mechanism of several parameters, such as the initial temperature of the polymer, the ultrasonic frequency, and the ultrasonic amplitude, was investigated. The results from both numerical simulation and experimentation indicate that the heat generation rate of viscoelastic heating can be significantly influenced by the initial temperature of polymer. The glass transition temperature was found to be a significant shifting point in viscoelastic heating. The heat generation rate is relatively low at the beginning and can have a steep increase after reaching glass transition temperature. In comparison with the ultrasonic frequency, the ultrasonic amplitude has much greater influence on the heat generation rate. In light of the quantitative difference in the viscoelastic heating rate, the limitation of the numerical simulation was discussed in the aspect of the assumptions and the applied mathematical models.

  9. Study on Mixing Field of Salt Tolerant Polymer Solution

    Science.gov (United States)

    Zhang, L. H.; Zhang, M. G.; Li, X. G.; Zhang, D.; Jiang, B.

    The salt tolerant polymer (PAM) solution is a kind of viscoelastic fluid. The polymer. whose molecular weight is more than 2.5x107g/mol, is apt to form ultra-molecular structures in solution with pretty high viscoelasticity. These characteristics considerably affect the flow patterns and the mixing process. It is far more difficult to mix viscoelastic fluid homogeneously than Newtonian fluid. Because the molecular diffusion rate of viscoelastic fluid in mixing process is very low, improving the circulating performance of the agitator is the main path to increase the mixing velocity of the viscoelastic fluid. In this study, structure and operation parameters of new type agitator—double helical ribbon screw agitator designed for the salt tolerant polymer are optimized via laboratory experiment. The experiment results show that, compared with the screw propeller, the new type agitator improves circulation of fluid field effectively and increases the homogenized rate. It reduces the mixing time from 4h to 2h. And the viscosity of the polymer solution increases by 10%. However, the energy consumption does not increase.

  10. Modeling the Rheology of Polymer Melts and Solutions

    Science.gov (United States)

    Larson, R. G.; Desai, Priyanka S.

    2015-01-01

    We review constitutive modeling of solutions and melts of linear polymers, focusing on changes in rheological behavior in shear and extensional flow as the concentration increases from unentangled dilute, to entangled, to dense melt. The rheological changes are captured by constitutive equations, prototypes of which are the FENE-P model for unentangled solutions and the DEMG model for entangled solutions and melts. From these equations, and supporting experimental data, for dilute solutions, the extensional viscosity increases with the strain rate from the low-strain rate to the high-strain rate asymptote, but in the densely entangled state, the high-strain rate viscosity is lower than the low-shear rate value, especially when orientation-dependent friction is accounted for. In shearing flow, shear thinning increases dramatically as the entanglement density increases, which can eventually lead to a shear-banding inhomogeneity. Recent improvements in constitutive modeling are paving the way for robust and accurate numerical simulations of polymer fluid mechanics and industrial processing of polymers.

  11. Instability and morphology of polymer solutions coating a fiber

    CERN Document Server

    Boulogne, François; Giorgiutti-Dauphiné, Frédérique

    2013-01-01

    We report an experimental study on the dynamics of a thin film of polymer solution coating a vertical fiber. The liquid film has first a constant thickness and then undergoes the Rayleigh-Plateau instability which leads to the formation of sequences of drops, separated by a thin film, moving down at a constant velocity. Different polymer solutions are used, i.e. xanthan solutions and polyacrylamide (PAAm) solutions. These solutions both exhibit shear-rate dependence of the viscosity, but for PAAm solutions, there are strong normal stresses in addition of the shear-thinning effect. We characterize experimentally and separately the effects of these two non-Newtonian properties on the flow on the fiber. Thus, in the flat film observed before the emergence of the drops, only shear-thinning effect plays a role and tends to thin the film compared to the Newtonian case. The effect of the non-Newtonian rheology on the Rayleigh-Plateau instability is then investigated through the measurements of the growth rate and th...

  12. Limitations of amorphous content quantification by isothermal calorimetry using saturated salt solutions to control relative humidity: alternative methods.

    Science.gov (United States)

    Khalef, Nawel; Pinal, Rodolfo; Bakri, Aziz

    2010-04-01

    Despite the high sensitivity of isothermal calorimetry (IC), reported measurements of amorphous content by this technique show significant variability even for the same compound. An investigation into the reasons behind such variability is presented using amorphous lactose and salbutamol sulfate as model compounds. An analysis was carried out on the heat evolved as a result of the exchange of water vapor between the solid sample during crystallization and the saline solution reservoir. The use of saturated salt solutions as means of control of the vapor pressure of water within sealed ampoules bears inherent limitations that lead in turn to the variability associated with the IC technique. We present an alternative IC method, based on an open cell configuration that effectively addresses the limitations encountered with the sealed ampoule system. The proposed approach yields an integral whose value is proportional to the amorphous content in the sample, thus enabling reliable and consistent quantifications. PMID:19774655

  13. Measurement of cloud point temperature in polymer solutions.

    Science.gov (United States)

    Mannella, G A; La Carrubba, V; Brucato, V

    2013-07-01

    A temperature-controlled turbidity measurement apparatus for the characterization of polymer solutions has been instrumented and set up. The main features are the coupled temperature-light transmittance measurement and the accurate temperature control, achieved by means of peltier cells. The apparatus allows to measure cloud point temperatures by adopting different cooling protocols: low rate for quasi-equilibrium measurements and high rate for detect kinetic effects. A ternary polymeric solution was adopted as case study system showing that cooling rate affects the measured cloud point temperature.

  14. Structure of polymer layers adsorbed from concentrated solutions

    Science.gov (United States)

    Auvray, Loïc; Auroy, Philippe; Cruz, Margarida

    1992-06-01

    We study by neutron scattering the interfacial strucuture of poly(dimethylsiloxane) layers irreversibly adsorbed from concentrated solutions or melts. We first measure the thickness h of the layers swollen by a good solvent as a function of the chain polymerisation index N and of the polymer volume fraction in the initial solution Φ. The relation h ≈ N^{0.8}Φ^{0.3}, recently predicted from an analogy between irreversibly adsorbed layers and grafted polymer brushes, describes well our results. We can therefore deduce that there is at least one large loop of about N monomers per adsorbed chain. We also study the shape of the polymer concentration profile in the layers by measuring on two samples the polymer-solid partial structure factor, that is proportional to the Fourier transform of the profile. The model of pseudobrushes predicts a concentration decay varying with the distance of the wall z as z^{-2/5}. This power law profile accounts quantitatively for the angular variation of the polymer-solid cross structure factor but it is difficult to distinguish it without anbiguity from less singular profiles. It implies that the adsorption of PDMS onto silica is sufficiently strong and fast to quench completely the loop distribution in the initial layer. Nous étudions par diffusion de neutrons la structure interfaciale de couches de poly(diméthylsiloxane) irréversiblement adsorbées sur de la silice à partir de solutions semidiluées et de fondus. Nous mesurons d'abord l'épaisseur h des couches gonflées par un bon solvant en fonction du degré de polymérisation des chaînes N et de la fraction volumique dans la solution initiale Φ. La relation h≈ N^{0.8}Φ^{0.3} récemment prédite à partir de l'analogie entre couches irréversiblement adsorbées et brosses de polymères greffés décrit bien nos résultats. Nous en déduisons qu'il existe au moins une grande boucle d'environ N monomères par chaîne adsorbée. Nous étudions aussi la forme du profil de

  15. Study on effects of carbon impurities and oxygen vacancies in amorphous alumina phosphor prepared via a solution method

    Energy Technology Data Exchange (ETDEWEB)

    Wakui, Yoshinori; Takahashi, Kanako [Department of Material and Environmental Chemistry, Graduate School of Engineering, Utsunomiya University, 7-1-2 Yoto, Utsunomiya-shi, Tochigi 321-8585 (Japan); Shan, Yue Jin, E-mail: shan@cc.utsunomiya-u.ac.jp [Department of Material and Environmental Chemistry, Graduate School of Engineering, Utsunomiya University, 7-1-2 Yoto, Utsunomiya-shi, Tochigi 321-8585 (Japan); Tezuka, Keitaro; Imoto, Hideo [Department of Material and Environmental Chemistry, Graduate School of Engineering, Utsunomiya University, 7-1-2 Yoto, Utsunomiya-shi, Tochigi 321-8585 (Japan); Hosokawa, Shogo; Shinozaki, Norifumi [Tatsumori Ltd., 50 Minami-Kawada, Kami-Yukiai, Tamura-cho, Koriyama-shi, Fukushima 963-0724 (Japan); Ando, Mariko; Maekawa, Hideki [Graduate School of Engineering, Tohoku University, 6-6-04 Aramaki Aoba, Sendai-shi, Miyagi 980-8579 (Japan)

    2015-01-15

    The amorphous alumina phosphors without containing expensive or toxic elements were prepared via a solution method. The obtained sample indicates bluish-white emission centered at 390–430 nm by UV excitation. According to the measurement results of Electron Spin Resonance (ESR), Fourier Transform Infrared Spectroscopy (FT-IR) and organic microanalysis, it is found that the carbon impurities exist in the sample and they are essential for luminescence. On the other hand, {sup 27}Al NMR measurements indicate the presence of Al of 5-coordination. Moreover, there is good correspondence among the excitation spectra of the emission samples, the experimental optical properties of amorphous alumina, and the calculated oxygen vacancies levels in amorphous alumina model. Therefore, the new luminescence mechanism can be proposed as follows; the electrons in valence band are excited to oxygen vacancies bands by UV light and return to ground state through the carbon impurities band, being accompanied by the bluish-white emission. - Highlights: • The amorphous alumina prepared via solution method shows bluish-white emission. • According to the ESR results, carbon impurities are necessary for luminescence. • FT-IR, NMR and UV–vis measurements of the samples were conducted. • Our results indicated that oxygen vacancies play an important role. • We proposed the new luminescence mechanism for amorphous alumina phosphor.

  16. Rheological Properties of Associative Star Polymers in Aqueous Solutions: Effect of Hydrophobe Length and Polymer Topology

    DEFF Research Database (Denmark)

    Hietala, Sami; Strandman, Satu; Jarvi, Paula;

    2009-01-01

    Rheological properties of aqueous solutions of well-defined four-armed amphiphilic star block copolymers, poly(acrylic acid)-block-polystyrene (PAA-b-PS)(4), were investigated as a function of the length of the PS blocks, polymer concentration, and temperature and compared with a corresponding...... triblock copolymer. These polymers, synthesized by atom transfer radical polymerization (ATRP), were found to form hydrogels due to intermolecular association originating from the PS blocks. The increasing length of the PS block was observed to lead to more elastic networks due to increased hydrophobic...... interaction. Polymers bearing shorter PS blocks gave gels with relatively long linear response followed by strain hardening before shear thinning while the longer PS blocks lead to formation of elastic but brittle gels with limited linear regime before shear thinning. Star-block copolymers showed more elastic...

  17. Structural evolutions in polymer-derived carbon-rich amorphous silicon carbide.

    Science.gov (United States)

    Wang, Kewei; Ma, Baisheng; Li, Xuqin; Wang, Yiguang; An, Linan

    2015-01-29

    The detailed structural evolutions in polycarbosilane-derived carbon-rich amorphous SiC were investigated semiquantitatively by combining experimental and analytical methods. It is revealed that the material is comprised of a Si-containing matrix phase and a free-carbon phase. The matrix phase is amorphous, comprised of SiC4 tetrahedra, SiCxOx-4 tetrahedra, and Si-C-C-Si/Si-C-H defects. With increasing pyrolysis temperature, the amorphous matrix becomes more ordered, accompanied by a transition from SiC2O2 to SiCO3. The transition was completed at 1250 °C, where the matrix phase started to crystallize by forming a small amount of β-SiC. The free-carbon phase was comprised of carbon nanoclusters and C-dangling bonds. Increasing pyrolysis temperature led to the transition of the free carbon from amorphous carbon to nanocrystalline graphite. The size of the carbon clusters decreased first and then increased, while the C-dangling bond content decreased continuously. The growth of carbon clusters was attributed to Ostwald ripening and described using a two-dimensional grain growth model. The calculated activation energy suggested that the decrease in C-dangling bonds is directly related to the lateral growth of the carbon clusters. PMID:25490064

  18. Self-bonding in an amorphous polymer below the glass transition

    DEFF Research Database (Denmark)

    Boiko, Yuri M.; Bach, Anders; Lyngaae-Jørgensen, Jørgen

    2004-01-01

    Films of amorphous polystyrene (PS) with a weight-average molecular weight (Mw) of 225 × 103 g/mol were bonded in a T-peel test geometry, and the fracture energy (G) of a PS/PS interface was measured at the ambient temperature as a function of the healing time (th) and healing temperature (Th). G...

  19. Polymer Encapsulation of an Amorphous Pharmaceutical by initiated Chemical Vapor Deposition for Enhanced Stability

    Science.gov (United States)

    2016-01-01

    The usage of amorphous solids in practical applications, such as in medication, is commonly limited by the poor long-term stability of this state, because unwanted crystalline transitions occur. In this study, three different polymeric coatings are investigated for their ability to stabilize amorphous films of the model drug clotrimazole and to protect against thermally induced transitions. For this, drop cast films of clotrimazole are encapsulated by initiated chemical vapor deposition (iCVD), using perfluorodecyl acrylate (PFDA), hydroxyethyl methacrylate (HEMA), and methacrylic acid (MAA). The iCVD technique operates under solvent-free conditions at low temperatures, thus leaving the solid state of the encapsulated layer unaffected. Optical microscopy and X-ray diffraction data reveal that at ambient conditions of about 22 °C, any of these iCVD layers extends the lifetime of the amorphous state significantly. At higher temperatures (50 or 70 °C), the p-PFDA coating is unable to provide protection, while the p-HEMA and p-MAA strongly reduce the crystallization rate. Furthermore, p-HEMA and p-MAA selectively facilitate a preferential alignment of clotrimazole and, interestingly, even suppress crystallization upon a temporary, rapid temperature increase (3 °C/min, up to 150 °C). The results of this study demonstrate how a polymeric coating, synthesized directly on top of an amorphous phase, can act as a stabilizing agent against crystalline transitions, which makes this approach interesting for a variety of applications. PMID:27467099

  20. Sequentially solution-processed, nanostructured polymer photovoltaics using selective solvents

    KAUST Repository

    Kim, Do Hwan

    2014-01-01

    We demonstrate high-performance sequentially solution-processed organic photovoltaics (OPVs) with a power conversion efficiency (PCE) of 5% for blend films using a donor polymer based on the isoindigo-bithiophene repeat unit (PII2T-C10C8) and a fullerene derivative [6,6]-phenyl-C[71]-butyric acid methyl ester (PC71BM). This has been accomplished by systematically controlling the swelling and intermixing processes of the layer with various processing solvents during deposition of the fullerene. We find that among the solvents used for fullerene deposition that primarily swell but do not re-dissolve the polymer underlayer, there were significant microstructural differences between chloro and o-dichlorobenzene solvents (CB and ODCB, respectively). Specifically, we show that the polymer crystallite orientation distribution in films where ODCB was used to cast the fullerene is broad. This indicates that out-of-plane charge transport through a tortuous transport network is relatively efficient due to a large density of inter-grain connections. In contrast, using CB results in primarily edge-on oriented polymer crystallites, which leads to diminished out-of-plane charge transport. We correlate these microstructural differences with photocurrent measurements, which clearly show that casting the fullerene out of ODCB leads to significantly enhanced power conversion efficiencies. Thus, we believe that tuning the processing solvents used to cast the electron acceptor in sequentially-processed devices is a viable way to controllably tune the blend film microstructure. © 2014 The Royal Society of Chemistry.

  1. Tuning the critical solution temperature of polymers by copolymerization

    International Nuclear Information System (INIS)

    We study statistical copolymerization effects on the upper critical solution temperature (CST) of generic homopolymers by means of coarse-grained Langevin dynamics computer simulations and mean-field theory. Our systematic investigation reveals that the CST can change monotonically or non-monotonically with copolymerization, as observed in experimental studies, depending on the degree of non-additivity of the monomer (A-B) cross-interactions. The simulation findings are confirmed and qualitatively explained by a combination of a two-component Flory-de Gennes model for polymer collapse and a simple thermodynamic expansion approach. Our findings provide some rationale behind the effects of copolymerization and may be helpful for tuning CST behavior of polymers in soft material design

  2. Tuning the critical solution temperature of polymers by copolymerization

    Energy Technology Data Exchange (ETDEWEB)

    Schulz, Bernhard; Chudoba, Richard; Dzubiella, Joachim, E-mail: joachim.dzubiella@helmholtz-berlin.de [Institut für Weiche Materie und Funktionale Materialien, Helmholtz-Zentrum Berlin, 14109 Berlin (Germany); Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Heyda, Jan [Department of Physical Chemistry, University of Chemistry and Technology, Prague, 166 28 Praha 6 (Czech Republic)

    2015-12-28

    We study statistical copolymerization effects on the upper critical solution temperature (CST) of generic homopolymers by means of coarse-grained Langevin dynamics computer simulations and mean-field theory. Our systematic investigation reveals that the CST can change monotonically or non-monotonically with copolymerization, as observed in experimental studies, depending on the degree of non-additivity of the monomer (A-B) cross-interactions. The simulation findings are confirmed and qualitatively explained by a combination of a two-component Flory-de Gennes model for polymer collapse and a simple thermodynamic expansion approach. Our findings provide some rationale behind the effects of copolymerization and may be helpful for tuning CST behavior of polymers in soft material design.

  3. Adsorption of catechol from aqueous solution by aminated hypercrosslinked polymers

    Institute of Scientific and Technical Information of China (English)

    SUN Yue; LI Xiao-tao; XU Chao; CHEN Jin-long; LI Ai-min; ZHANG Quan-xing

    2005-01-01

    Adsorption of catechol from aqueous solution with the hypercrosslinked polymeric adsorbent NDA-100 and its derivatives AH-1,AH-2 and AH-3 aminated by dimethylamine, the commercial resin Amberlite XAD-4 and weakly basic anion exchanger resin D301 was compared. It was found that the aminated hypercrosslinked resins had the highest adsorption capacities among the tested polymers. The empirical Freundlich equation was successfully employed to describe the adsorption process. Specific surface area and micropore structure of the adsorbent, in company with tertiary amino groups on matrix affected the adsorption performance towards catechol. In addition,thermodynamic study was carried out to interpret the adsorption mechanism. Kinetic study testified that the tertiary amino groups on the polymer matrix could decrease the adsorption rate and increase the adsorption apparent activation energy.

  4. Solution-processed small molecule-polymer blend organic thin-film transistors with hole mobility greater than 5 cm 2/Vs

    KAUST Repository

    Smith, Jeremy N.

    2012-04-10

    Using phase-separated organic semiconducting blends containing a small molecule, as the hole transporting material, and a conjugated amorphous polymer, as the binder material, we demonstrate solution-processed organic thin-film transistors with superior performance characteristics that include; hole mobility >5 cm 2/Vs, current on/off ratio ≥10 6 and narrow transistor parameter spread. These exceptional characteristics are attributed to the electronic properties of the binder polymer and the advantageous nanomorphology of the blend film. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Gas barrier properties of hydrogenated amorphous carbon films coated on polymers by surface-wave plasma chemical vapor deposition

    International Nuclear Information System (INIS)

    Gas barrier characteristics of hydrogenated amorphous carbon (a-C:H) thin films coated on polymer sheets using the large-area surface-wave plasma (SWP) were studied. With SWP in He and CH4 gas mixture, a-C:H films were deposited over about 100 mm in diameter on high density polyethylene or polyethylene terephthalate (PET) sheets at temperature less than 70 deg. C. Experimental results show that gas permeation in the case of a-C:H film coating on PET sheet was reduced by a factor of more than 150 (0.27 cm3/m2 day atm), compared with that before coating. Plasma characteristics of SWP, such as electron density and electron energy distribution functions, and other film characteristics measured with Fourier-transform infrared spectroscopy, X-ray photoelectron spectroscopy and atomic force microscope are presented and discussed

  6. Experimental Results on Electrorheology of Liquid Crystalline Polymer Solutions

    Science.gov (United States)

    Neves, S.; Leal, C. R.; Cidade, M. T.

    2008-07-01

    The electrorheological (ER) effect is known as the enhancement of the apparent viscosity upon application of an external electric field. Suspensions of polarizable particles in non-conducting solvents are the most studied electrorheological fluids, however, liquid crystalline materials may also present ER effect as long as their dielectric anisotropy is positive. In the liquid crystalline state of a positive dielectric anisotropy, the application of the electric field makes the director align perpendicular to the flow direction, thus increasing the apparent viscosity. In this work results of two liquid crystalline polymer solutions, acetoxypropylcellulose (APC) in dimethylacetamide (DMAc) and poly-γ-benzyl-L-glutamate (PBLG) in 1,4-dioxane, presenting opposite behavior upon application of the electric field, will be presented. APC/DMAc (negative dielectric anisotropy) presents a decrease of the apparent viscosity upon application of the electric field, as expected, while PBLG/1,4-dioxane (positive dielectric anisotropy) presents the opposite behavior. For this last solution we will present the shear flow curves for different electric fields in function of polymer molecular weight and solution concentration.

  7. Gigantic enhancement in the dielectric properties of polymer-based composites using core/shell MWCNT/amorphous carbon nanohybrids

    Science.gov (United States)

    Guo, Qikai; Xue, Qingzhong; Sun, Jin; Dong, Mingdong; Xia, Fujun; Zhang, Zhongyang

    2015-02-01

    Novel core/shell structured multi-walled carbon nanotube/amorphous carbon (MWCNT@AC) nanohybrids were successfully prepared using a simple and novel method. Subsequently, the MWCNT@AC nanohybrids were used as fillers to enhance the dielectric properties of poly(vinylidene fluoride) (PVDF) based composites. It is found that the dielectric constant of the MWCNT@AC/PVDF composites can reach 5910 (the dielectric loss is ~2), which is considerably better than that of MWCNT/PVDF composites. The uniform amorphous carbon shell provides an insulative layer between adjacent MWCNTs in the polymer matrix, which not only prevents the direct contact of MWCNTs but also improves the dispersibility of the MWCNTs. Therefore, a surprising number of microcapacitors could be formed in the composites before the formation of a conductive network, leading to a gigantic enhancement in the dielectric properties. Our strategy provides a new approach to fabricate excellent dielectric materials for energy storage capacitors. In addition, the design concept used in this work can be extended to other carbon materials.

  8. On the thermodynamically stable amorphous phase of polymer-derived silicon oxycarbide.

    Science.gov (United States)

    Yu, Liping; Raj, Rishi

    2015-01-01

    A model for the thermodynamic stability of amorphous silicon oxycarbide (SiCO) is presented. It builds upon the reasonably accepted model of SiCO which is conceived as a nanodomain network of graphene. The domains are expected to be filled with SiO2 molecules, while the interface with graphene is visualized to contain mixed bonds described as Si bonded to C as well as to O atoms. Normally these SiCO compositions would be expected to crystallize. Instead, calorimetric measurements have shown that the amorphous phase is thermodynamically stable. In this article we employ first-principles calculations to estimate how the interfacial energy of the graphene networks is favorably influenced by having mixed bonds attached to them. We analyze the ways in which this reduction in interfacial energy can stabilize the amorphous phase. The approach highlights how density functional theory computations can be combined with the classical analysis of phase transformations to explain the behavior of a complex material. In addition we discover a two-dimensional lattice structure, with the composition Si2C4O3 that is constructed from a single layer of graphene congruent with silicon and oxygen bonds on either side. PMID:26419962

  9. Solution and Melt Rheology of Polypropylene Comb and Star Polymers

    Science.gov (United States)

    Ghosh, Arnav; Colby, Ralph H.; Rose, Jeffrey M.; Cherian, Anna E.; Coates, Geoffrey W.

    2006-03-01

    Syndiotactic polypropylene macromonomer arms have been prepared by coordination-insertion polymerization. These arms have been made into polypropylene star polymers by the homopolymerization of the syndiotactic arms with a living alkene polymerization catalyst. The macromonomer arms have also been randomly copolymerized with propylene using rac-dimethylsilyl(2-methyl-4-phenylindenyl) zirconium dichloride catalysts to make polypropylene combs. Consequently we have star polymers and a series of comb polymers with different backbone lengths that are all made from the same macromonomer arms. We compare linear viscoelastic data on star and comb polypropylene melts and solutions in squalane to predictions of the tube dilation model and the tube model without tube dilation. The ratio of comb terminal relaxation time to star terminal relaxation time eliminates the friction coefficient and allows determination of the extent of tube dilation the backbone experiences when it relaxes. The concentration dependence of the comb/star terminal relaxation time ratio can be described by either model, owing to adjustable parameters that are not known apriori, so independent means to evaluate those parameters will be discussed.

  10. Spectral Properties of Substituted Coumarins in Solution and Polymer Matrices

    Directory of Open Access Journals (Sweden)

    Jana Donovalová

    2012-03-01

    Full Text Available The absorption and fluorescence spectra of substituted coumarins (2-oxo-2H-chromenes were investigated in solvents and in polymer matrices. The substitutions involved were: (1 by groups with varying electron donating ability such as CH3, OCH3 and N(CH32, mainly, but not exclusively, in positions 7 and (2, by either CHO or 4-PhNHCONHN=CH- in position 3. While the spectra of non-substituted coumarin-3-carbaldehyde has absorptions at approximately 305 and 350 nm, substitution at position 7 leads to remarkable changes in the shape of the absorption spectrum and shifts the absorption to a longer wavelength. Similarly, the replacement of the formyl group with a semicarbazide group substantially influences the shape of the absorption spectrum, and coumarins which have only N(CH32 in position 7 experience small changes. These changes are associated with the increasing intramolecular charge transfer (ICT character and increasing conjugation length of the chromophoric system, respectively, in the studied molecules. The fluorescence is almost negligible for derivatives which have H in this position. With increasing electron donating ability, and the possibility of a positive mesomeric (+M effect of the substituent in position 7 of the coumarin moiety, the fluorescence increases, and this increase is most intense when N(CH32 substitutes in this position, for both 3-substituted derivatives. Spectral measurements of the studied coumarins in polymer matrices revealed that the absorption and fluorescence maxima lay within the maxima for solvents, and that coumarins yield more intense fluorescence in polymer matrices than when they are in solution. The quantum yield of derivatives which have a dimethylamino group in position 7 in polymer matrices approaches 1, and the fluorescence lifetime is within the range of 0.5–4 ns. The high quantum yield of 7-dimethylamino derivatives qualifies them as laser dyes which have kF higher than knr in the given medium. This

  11. Study of the dosimetric properties using organometallic polymers in solution

    International Nuclear Information System (INIS)

    This work aimed to study the dosimetric characteristics of the polymer of the polymer ''poly-[ 1, l-bis (ethynyl) -4,4-biphenyl (bis-tributylphosphine) Pt (11)]'' (Pt-DEBP) compared to radiation gamma. The Pt-DEBP polymer, containing ten monomer units, was then dissolved in organic solvents as chloroform and toluene. The samples were irradiated at four concentrations (0.0500, 0.0375, 0.0250, 0.0113 mg / mL) in duplicate, with radiation doses ranging from 1 to 90 Gy. The results were evaluated based on spectroscopic techniques such as optical absorption spectroscopy (UV -Vis), fluorescence (emission), time resolved fluorescence (FRT) and Fourier transform infrared (FTIR). For DEBP-Pt solutions in chloroform, there is a shift in the position of the main optical absorption band (πt - π*) to lower wavelength (blue-shift), allied to a decreasing absorption intensity with increasing radiation dose. In fluorescence spectroscopy, there was a shift to longer wavelengths (redshift) allied to an increasing emission intensity with increasing radiation dose. FRT experiments on irradiated samples dissolved in chloroform indicated the presence of a new emitter center. FTIR spectra show the incorporation of chlorine in the polymer chain, justifying the blue-shift observed in the absorption spectra and the new emission center. In addition, the behavior of linear results in the absorption and fluorescence studies was investigated based on the relationship between the wavelength of maximum absorption/emission and the radiation dose. For both cases, a linear behavior was observed in relation to the sample concentration. Repeatability and stability tests were also performed. For the samples dissolved in toluene, there was no significant shift of the spectrum of absorption or fluorescence for all doses. The results show that the Pt-DEBP polymer dissolved in chloroform can be used as a dosimeter for x-ray doses between 1 - 30 Gy based on the changes in absorption and/or emission

  12. Solid solution or amorphous phase formation in TiZr-based ternary to quinternary multi-principal-element films

    Institute of Scientific and Technical Information of China (English)

    Mariana Braic; Viorel Braic; Alina Vladescu; Catalin N. Zoita; Mihai Balaceanu

    2014-01-01

    TiZr-based multicomponent metallic films composed of 3-5 constituents with almost equal atomic concentrations were prepared by co-sputtering of pure metallic targets in an Ar atmosphere. X-ray diffraction was employed to determine phase composition, crystalline structure, lattice parameters, texture and crystallite size of the deposited films. The deposited films exhibited only solid solution (fcc, bcc or hcp) or amorphous phases, no intermetallic components being detected. It was found that the hcp structure was stabilized by the presence of Hf or Y, bcc by Nb or Al and fcc by Cu. For the investigated films, the atomic size difference, mixing enthalpy, mixing entropy, Gibbs free energy of mixing and the electronegativity difference for solid solution and amorphous phases were calculated based on Miedema's approach of the regular solution model. It was shown that the atomic size difference and the ratio between the Gibbs free energies of mixing of the solid solution and amorphous phases were the most significant parameters controlling the film crystallinity.

  13. PHOTOINDUCED BIREFRINGENCE AND NUMERICAL SOLUTION OF A NEW DYNAMIC MODEL IN AN AMORPHOUS COPOLYMER CONTAINING AZOBENZENE GROUPS

    Institute of Scientific and Technical Information of China (English)

    Ling-zhi Zhang; Zhi-gang Cai; Valerica Ninulescu; Ke Jin; Zhao-xi Liang

    2001-01-01

    Photoinduced birefringence is investigated in a new amorphous copolymer containing azobenzene groups. The levels of birefringence signal are found to depend on the polarization angle between the pump beam and the probe beam, and on the ellipticity of the pump beam. Both the growth and decay processes of the birefringence signal can be described by known biexponential equations. The rate constants and the amplitudes associated with the growth process of the photoinduced birefringence are observed to display a linear dependence with the pump beam intensity. A new dynamic model of the photoinduced birefringence is presented taking into account the contributions of both the trans and cis isomers ofazobenzene groups and the local polymer segments. The numerical treatment of this model shows good agreement with the experimental data in the whole writing-erasing processes of the photoinduced birefringence conducted in our polymer samples.

  14. A thermodynamic study of shear banding in polymer solutions

    Science.gov (United States)

    Hooshyar, Soroush; Germann, Natalie

    2016-06-01

    Although shear banding is a ubiquitous phenomenon observed in soft materials, the mechanisms that give rise to shear-band formation are not always the same. In this work, we develop a new two-fluid model for semi-dilute entangled polymer solutions using the generalized bracket approach of nonequilibrium thermodynamics. The model is based on the hypothesis that the direct coupling between polymer stress and concentration is the driving mechanism of steady shear-band formation. To obtain smooth banded profiles in the two-fluid framework, a new stress-diffusive term is added to the time evolution equation for the conformation tensor. The advantage of the new model is that the differential velocity is treated as a state variable. This allows a straightforward implementation of the additional boundary conditions arising from the derivative diffusive terms with respect to this new state variable. To capture the overshoot of the shear stress during the start of a simple shear flow, we utilize a nonlinear Giesekus relaxation. Moreover, we include an additional relaxation term that resembles the term used in the Rouse linear entangled polymer model to account for convective constraint release and chain stretch to generate the upturn of the flow curve at large shear rates. Numerical calculations performed for cylindrical Couette flow confirm the independency of the solution from the deformation history and initial conditions. Furthermore, we find that stress-induced migration is the responsible diffusive term for steady-state shear banding. Because of its simplicity, the new model is an ideal candidate for the use in the simulation of more complex flows.

  15. MECHANISM FOR VISCOELASTIC POLYMER SOLUTION PERCOLATING THROUGH POROUS MEDIA

    Institute of Scientific and Technical Information of China (English)

    ZHANG Li-juan; YUE Xiang-an

    2007-01-01

    The pore throat of porous media is modeled as a constricted channel or expanded channel. The flow of viscoelastic polymer solution in pore throat model is studied by numerical method. Relationship between pressure drop and flow rate is developed, viscoelasticity and throat size are found to be two main factors in high flow resistance. According to pore throat model, 2-D stochastic channel bundle is put forward to model porous media, which is composed of pore throat models in series - parallel connection with size and length accord to Haring - Greenkorn stochastic distribution. Percolation model of viscoelastic fluid is developed on the basis of Darcy equation and pressure drop vs. flow rate relation in 2-D stochastic channel bundle. Results indicate that the seepage ability of viscoelastic polymer solution decreases with the increase of viscoelasticity, injection rate, and heterogeneity as well as the decrease of mean pore size of porous media. The high pressure drop of viscoelastic fluid at the connection of pore to throat plays a great role in its anomalous high flow resistance through porous media.

  16. On the thermodynamically stable amorphous phase of polymer-derived silicon oxycarbide

    OpenAIRE

    Liping Yu; Rishi Raj

    2015-01-01

    A model for the thermodynamic stability of amorphous silicon oxycarbide (SiCO) is presented. It builds upon the reasonably accepted model of SiCO which is conceived as a nanodomain network of graphene. The domains are expected to be filled with SiO2 molecules, while the interface with graphene is visualized to contain mixed bonds described as Si bonded to C as well as to O atoms. Normally these SiCO compositions would be expected to crystallize. Instead, calorimetric measurements have shown t...

  17. Hot Melt Extruded Amorphous Solid Dispersion of Posaconazole with Improved Bioavailability: Investigating Drug-Polymer Miscibility with Advanced Characterisation

    Directory of Open Access Journals (Sweden)

    Ritesh Fule

    2014-01-01

    Full Text Available Invasive antifungal infections are reasons for morbidity and mortality in immunogenic patients worldwide. Posaconazole is a most promising antifungal agent against all types of invasive infections with high % of cure rate. The marketed suspension formulation has low bioavailability and is needed to be taken with food. In this paper, PCZ hot melt extruded amorphous solid dispersion (SD with immediate release and improved bioavailability was prepared using Soluplus (Sol as primary carrier for solubilization. Surfactants such as PEG 400, Lutrol F27, Lutrol F68, and TPGS are also used in combination with Soluplus to improve the physicochemical performance of the formulation when it comes in contact with GI (gastrointestinal fluid. Drug-polymer miscibility of SD was investigated using advanced techniques. In the in vivo study, the AUC(0–72 and Cmax of PCZ/Soluplus were 11.5 and 11.74 time higher than those of pure PCZ. The formulation of the extrudate SD had an AUC(0–72 and Cmax higher than those with the commercial capsule (Noxafil. Molecular dynamic (MD simulation studies were carried out using in silico molecular modelling to understand the drug-polymer intermolecular behaviour. The results of this research ensure enhanced dissolution and bioavailability of the solid dispersion of PCZ prepared by HME compared with the PCZ suspension.

  18. Hot melt extruded amorphous solid dispersion of posaconazole with improved bioavailability: investigating drug-polymer miscibility with advanced characterisation.

    Science.gov (United States)

    Fule, Ritesh; Amin, Purnima

    2014-01-01

    Invasive antifungal infections are reasons for morbidity and mortality in immunogenic patients worldwide. Posaconazole is a most promising antifungal agent against all types of invasive infections with high % of cure rate. The marketed suspension formulation has low bioavailability and is needed to be taken with food. In this paper, PCZ hot melt extruded amorphous solid dispersion (SD) with immediate release and improved bioavailability was prepared using Soluplus (Sol) as primary carrier for solubilization. Surfactants such as PEG 400, Lutrol F27, Lutrol F68, and TPGS are also used in combination with Soluplus to improve the physicochemical performance of the formulation when it comes in contact with GI (gastrointestinal) fluid. Drug-polymer miscibility of SD was investigated using advanced techniques. In the in vivo study, the AUC(0-72) and C(max) of PCZ/Soluplus were 11.5 and 11.74 time higher than those of pure PCZ. The formulation of the extrudate SD had an AUC(0-72) and C(max) higher than those with the commercial capsule (Noxafil). Molecular dynamic (MD) simulation studies were carried out using in silico molecular modelling to understand the drug-polymer intermolecular behaviour. The results of this research ensure enhanced dissolution and bioavailability of the solid dispersion of PCZ prepared by HME compared with the PCZ suspension.

  19. DIFFUSION COEFFICIENTS IN POLYMER-SOLVENT SYSTEMS FOR HIGHLY CONCENTRATED POLYMER SOLUTIONS

    Directory of Open Access Journals (Sweden)

    R.A. Reis

    2001-12-01

    Full Text Available The Vrentas/Duda proposal for the diffusion of polymer-solvent systems, which is based on the free-volume theory, was employed in correlating and predicting mutual diffusion coefficients in highly concentrated polymer solutions. It has been observed that the predictive version of the model is capable of qualitatively representing the experimental data, while the use of an adjustable parameter greatly improves the performance of the model. The systems studied were poly(vinyl acetate-toluene and Neoprene-acetone, and a comparison between experimental data and calculated values from the Vrentas/Duda model is reported. A new experimental apparatus based on the sorption technique was built to provide reliable diffusivity data on the Neoprene-acetone system.

  20. Theoretical analysis of microscopic oil displacement mechanism by viscoelastic polymer solution

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    The microscopic oil displacement mechanism in viscoelastic polymer flooding is theoretically analyzed with mechanical method.The effects of viscoelasticity of polymer solution on such three kinds of residual oil as in pore throat,in sudden expansion pore path,and in dead end are analyzed.Results show that the critical radius of mobile residual oil for viscoelastic polymer solution is larger than that for viscous polymer solution,which makes the oil that is immobile in viscous polymer flooding displaced u...

  1. Method of solution preparation of polyolefin class polymers for electrospinning processing included

    Science.gov (United States)

    Rabolt, John F. (Inventor); Lee, Keun-Hyung (Inventor); Givens, Steven R. (Inventor)

    2011-01-01

    A process to make a polyolefin fiber which has the following steps: mixing at least one polyolefin into a solution at room temperature or a slightly elevated temperature to form a polymer solution and electrospinning at room temperature said polymer solution to form a fiber.

  2. Development of amorphous dispersions of artemether with hydrophilic polymers via spray drying: Physicochemical and in silico studies

    Directory of Open Access Journals (Sweden)

    Jaywant N. Pawar

    2016-06-01

    Full Text Available Artemether (ARM is a poorly water soluble and poorly permeable drug effective against acute and severe falciparum malaria, hence there is a strong need to improve its solubility. The objective of the study was to enhance the solubility and dissolution rate of ARM by preparation of solid dispersions using spray-drying technique. Solid dispersions of ARM were prepared with Soluplus, Kollidon VA 64, HPMC and Eudragit EPO at weight ratios of 1:1, 1:2, 1:3 using spray drying technology, and characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry (DSC, and X-ray powder diffraction (XRD to identify the physicochemical interaction between drug and carrier, as well as effect on dissolution. The prepared solid dispersion of ARM with polymers showed reduced crystallinity as compared to neat ARM, which was confirmed by DSC and XRD. Drug/polymer interactions were studied in-silico by docking and molecular dynamics which indicated formation of van der Waals type of interactions of ARM with the polymers. Based on solubility studies, the optimum drug/Soluplus ratio was found to be 1:3. The dissolution studies of formulation SD3 showed highest drug release up to 82% compared to neat ARM giving only 20% at 60 minutes. The spray-dried products were free of crystalline ARM; possessed higher dissolution rates, and were stable over a period according to ICH guidelines. These findings suggest that an amorphous solid dispersion of ARM could be a viable option for enhancing the dissolution rate of ARM.

  3. Phosphorylcholine substituted polyolefins: New syntheses, solution assemblies, and polymer vesicles

    Science.gov (United States)

    Kratz, Katrina A.

    This thesis describes the synthesis and applications of a new series of amphiphilic homopolymers and copolymers consisting of hydrophobic polyolefin backbone and hydrophilic phosphorylcholine (PC) pendant groups. These polymers are synthesized by ring opening metathesis polymerization (ROMP) of a novel PC- cyclooctene monomer, and copolymerization of various functionalized cyclooctene comonomers. Incorporation of different comonomers into the PC-polyolefin backbone affords copolymers with different functionalities, including crosslinkers, fluorophores, and other reactive groups, that tune the range of applications of these polymers, and their hydrophobic/hydrophilic balance. The amphiphilic nature of PC-polyolefins was exploited in oil-water interfacial assembly, providing robust polymer capsules to encapsulate and deliver nanoparticles to damaged regions of a substrate in a project termed `repair-and-go.' In repair-and-go, a flexible microcapsule filled with a solution of nanoparticles probes an imperfection-riddled substrate as it rolls over the surface. The thin capsule wall allows the nanoparticles to escape the capsules and enter into the cracks, driven in part by favorable interactions between the nanoparticle ligands and the cracked surface (i.e., hydrophobic-hydrophobic interactions). The capsules then continue their transport along the surface, filling more cracks and depositing particles into them. The amphiphilic nature of PC-polyolefins was also exploited in aqueous assembly, forming novel polymer vesicles in water. PC-polyolefin vesicles ranged in size from 50 nm to 30 µm. The mechanical properties of PC-polyolefin vesicles were measured by micropipette aspiration techniques, and found to be more robust than conventional liposomes or polymersomes prepared from block copolymers. PC-polyolefin vesicles have potential use in drug delivery; it was found that the cancer drug doxorubicin could be encapsulated efficiently in PC-polyolefin vesicles. In

  4. Novel technique for phosphorus recovery from aqueous solutions using amorphous calcium silicate hydrates (A-CSHs).

    Science.gov (United States)

    Okano, Kenji; Uemoto, Masahide; Kagami, Jumpei; Miura, Keiichi; Aketo, Tsuyoshi; Toda, Masaya; Honda, Kohsuke; Ohtake, Hisao

    2013-05-01

    A novel technique for phosphorus (P) recovery from aqueous solutions was developed using amorphous calcium silicate hydrates (A-CSHs). A-CSHs, which have a high Ca/Si molar ratio of 2.0 or greater, could be synthesized using unlimitedly available, inexpensive materials such as siliceous shale and calcium hydroxide. A-CSHs showed high performance for P recovery from an anaerobic sludge digestion liquor (ASDL) and the synthetic model liquor (s-ASDL) containing 89 mg PO4-P/L. After 20 min mixing, 1.5 g/L A-CSHs could remove approximately 69 and 73% PO4-P from ASDL and s-ASDL, respectively. By contrast, autoclaved lightweight concrete particles, which contained crystalline calcium silicate hydrates as a principal component, removed only 10 and 6% PO4-P from ASDL and s-ASDL, respectively, under the same experimental conditions. When A-CSHs were washed with deionized water to remove free Ca(OH)2, P removability was significantly improved (up to 82%) despite the reduction in the amount of Ca(2+) released. Unlike in the case of Ca(OH)2, no significant carbonate inhibition was observed with P removal by A-CSHs. Moreover, P removed by A-CSHs showed better settleability, filterability, and dewaterability than P precipitated with conventional CaCl2 and Ca(OH)2. The present study demonstrated that A-CSHs have great potential as a novel, beneficial material for P recovery and recycling. PMID:23497975

  5. Simple solution-processed titanium oxide electron transport layer for efficient inverted polymer solar cells

    International Nuclear Information System (INIS)

    Titanium oxide (TiOX) is an effective electron transport layer (ETL) in polymer solar cells (PSCs). We report efficient inverted PSCs with a simple solution-processed amorphous TiOX (s-TiOX) film as an ETL. The s-TiOX film with high light transmittance was prepared by spin-coating titanium (IV) isopropoxide isopropanol solution on indium tin oxide coated glass in inert and then placed in air under room temperature for 60 min. The introduction of s-TiOX ETL greatly improved the short circuit current density of the devices. PSCs based on poly(3-hexylthiophene):[6,6]-phenyl-C61-butyric acid methyl ester and poly(4,8-bis-alkyloxy-benzo[1,2-b:4,5-b′]dithiophene-alt-alkylcarbonyl -thieno[3,4-b]thiophene):[6,6]-phenyl- C71-butyric acid methyl ester using s-TiOX film as ETL shows high power conversion efficiency of 4.29% and 6.7% under the illumination of AM 1.5G, 100 mW/cm2, which shows enhancements compared to the conventional PSCs with poly(styrenesulfonate)-doped poly(ethylenedioxythiophene) as anode buffer layer. In addition, the device exhibits good stability in a humid ambient atmosphere without capsulation. The results indicate that the annealing-free, simple solution processed s-TiOX film is an efficient ETL for high-performance PSCs. - Highlights: • High quality s-TiOX films were prepared by a simple, solution method without thermal treatment. • The s-TiOX films with high transmittance are very smooth. • The organic photovoltaic performance with s-TiOX film improved greatly and exhibited good stability. • The annealing-free, simple prepared s-TiOX film will be much compatible with flexible substrates

  6. Microscopic theory of light-induced deformation in amorphous side-chain azobenzene polymers.

    Science.gov (United States)

    Toshchevikov, V; Saphiannikova, M; Heinrich, G

    2009-04-16

    We propose a microscopic theory of light-induced deformation of side-chain azobenzene polymers taking into account the internal structure of polymer chains. Our theory is based on the fact that interaction of chromophores with the polarized light leads to the orientation anisotropy of azobenzene macromolecules which is accompanied by the appearance of mechanical stress. It is the first microscopic theory which provides the value of the light-induced stress larger than the yield stress. This result explains a possibility for the inscription of surface relief gratings in glassy side-chain azobenzene polymers. For some chemical architectures, elongation of a sample demonstrates a nonmonotonic behavior with the light intensity and can change its sign (a stretched sample starts to be uniaxially compressed), in agreement with experiments. Using a viscoplastic approach, we show that the irreversible strain of a sample, which remains after the light is switched off, decreases with increasing temperature and can disappear at certain temperature below the glass transition temperature. This theoretical prediction is also confirmed by recent experiments.

  7. Early turbulence in von Karman swirling flow of polymer solutions

    Science.gov (United States)

    Burnishev, Yuri; Steinberg, Victor

    2015-01-01

    We present quantitative experimental results on the transition to early turbulence in von Karman swirling flow of water- and water-sugar-based polymer solutions compared to the transition to turbulence in their Newtonian solvents by measurements of solely global quantities as torque Γ(t) and pressure p(t) with large statistics as a function of Re. For the first time the transition values of Re_c\\textit{turb} to fully developed turbulence and turbulent drag reduction regime Re_c\\textit{TDR} are obtained as functions of elasticity El by using the solvents with different viscosities and polymer concentrations ϕ. Two scaling regions for fundamental turbulent characteristics are identified and they correspond to the turbulent and TDR regimes. Both Re_c\\textit{turb} and Re_c\\textit{TDR} are found via the dependence of the friction coefficient Cf and Cp, defined through scaled average torque \\barΓ and rms pressure fluctuations p\\textit{rms} , respectively, on Re for different El and ϕ and via the limits of the two scaling regions.

  8. Characterization of Hyaluronan-Protein Microstructures and Polymer Solutions

    Science.gov (United States)

    Curtis, J. E.; McLane, L.; Bedoya, M.; Beatty, R.; Kramer, A.; Boehm, H.; Scrimgeour, J.

    2010-03-01

    Evidence is mounting that mechanical and topographical features of biomaterials can be as critical for cellular behavior as chemical properties. A case in point is hyaluronan (HA), a large polysaccharide with unique mechanical and hydrodynamic properties, found in many tissues and bodily fluids. Thanks to a large variety of accessible conformations and aggregation states, this remarkable polymer can impart on its biological environment a diverse range of structural and viscoelastic properties with far-reaching consequences for cell physiology (migration, inflammation, cancer). Supramolecular assembly of HA is typically mediated by HA-binding proteins. These specialized molecules are known to assist the formation of organized structures, such as cross-linked bundles, gels, or the all-important pericellular coat, a polymer network anchored to many cell surfaces. Precisely how the material properties of HA-rich matrices and aggregates are modified by the associated proteins, however, is largely a matter of speculation. We will present new insights concerning the cell coat and HA-protein solutions characterized using passive microrheology, fluorescence recovery after photobleaching (FRAP), and optical force probe microscopy.

  9. SOLUTION PROPERTIES OF LADDER-LIKE POLYMER POLYPHENYLSILSESQUIOXANES

    Institute of Scientific and Technical Information of China (English)

    SHI Lianghe; ZHANG Xinsheng; SI Yuandong; YE Meiling; LI Dingcai

    1987-01-01

    Solution properties of ladder-like polymer polyphenylsilsesquioxane (PPS) were studied by measurement of intrinsic viscosity, small angle laser light scattering and gel permeation chromatography. It was found that PPS can be modeled with a wormlike continuous cylinder rather than a wormlike coil. A plot of (M2/[η])1/3 vs. M1/2 was employed in obtaining the persistence length (2λ)-1 and effective hydrodynamic diameter. When MW≤5 × 105, Mark-Houwink equation is adequate in describing the relationship between MW and [η] with α about unity. This implies that PPS chain is semi-stiff. For GPC experiments, it was shown that universal calibration can be applied in PPS. When molecular weights of PPS are sufficiently high, their molecular weight distributions are often very broad.

  10. Calculation of thermal conductivity of polymer solutions in a wide range of temperatures and pressure

    International Nuclear Information System (INIS)

    Present article is devoted to calculation of thermal conductivity of polymer solutions in a wide range of temperatures and pressure. The dependence of thermal conductivity of polymers on temperature and pressure was studied. The dependence of thermal conductivity of polymers on molar mass was studied as well.

  11. Engineering solutions for polymer composites solar water heaters production

    Science.gov (United States)

    Frid, S. E.; Arsatov, A. V.; Oshchepkov, M. Yu.

    2016-06-01

    Analysis of engineering solutions aimed at a considerable decrease of solar water heaters cost via the use of polymer composites in heaters construction and solar collector and heat storage integration into a single device representing an integrated unit results are considered. Possibilities of creating solar water heaters of only three components and changing welding, soldering, mechanical treatment, and assembly of a complicate construction for large components molding of polymer composites and their gluing are demonstrated. Materials of unit components and engineering solutions for their manufacturing are analyzed with consideration for construction requirements of solar water heaters. Optimal materials are fiber glass and carbon-filled plastics based on hot-cure thermosets, and an optimal molding technology is hot molding. It is necessary to manufacture the absorbing panel as corrugated and to use a special paint as its selective coating. Parameters of the unit have been optimized by calculation. Developed two-dimensional numerical model of the unit demonstrates good agreement with the experiment. Optimal ratio of daily load to receiving surface area of a solar water heater operating on a clear summer day in the midland of Russia is 130‒150 L/m2. Storage tank volume and load schedule have a slight effect on solar water heater output. A thermal insulation layer of 35‒40 mm is sufficient to provide an efficient thermal insulation of the back and side walls. An experimental model layout representing a solar water heater prototype of a prime cost of 70‒90/(m2 receiving surface) has been developed for a manufacturing volume of no less than 5000 pieces per year.

  12. Molecular Dynamics Study of Stability of Solid Solutions and Amorphous Phase in the Cu-Al System

    Institute of Scientific and Technical Information of China (English)

    YANG Bin; LAI Wen-Sheng

    2009-01-01

    The relative stability of fcc and bcc solid solutions and amorphous phase with different compositions in the Cu-Al system is studied by molecular dynamics simulations with n-body potentials.For Cu1-xAlx alloys,the calculations show that the fcc solid solution has the lowest energies in the composition region with x<0.32 or x>0.72,while the bcc solid solution has the lowest energies in the central composition range,in agreement with the ball-milling experiments that a single bcc solid solution with 0.30<x< 0.70 is obtained.The evolution of structures in solid solutions and amorphous phase is studied by the coordination number (CN) and bond-length analysis so as to unveil the underlying physics.It is found that the energy sequence among three phases is determined by the competition in energy change originating from the bond length and CNs (or the number of bonds).

  13. Preparation and characterization of spray-dried co-amorphous drug-amino acid salts

    DEFF Research Database (Denmark)

    Jensen, Katrine Birgitte Tarp; Blaabjerg, Lasse Ingerslev; Lenz, Elisabeth;

    2016-01-01

    OBJECTIVES: Recently, co-amorphous drug-amino acid mixtures were introduced as a promising alternative to other amorphous stabilization approaches such as the use of polymers to form glass solutions. So far, these co-amorphous mixtures have been mainly prepared via vibrational ball milling on a lab...... hand, IND-LYS and IND-HIS revealed no significant improvement in the intrinsic dissolution rate of IND due to recrystallization of IND during dissolution. CONCLUSIONS: It could be shown that strong intermolecular interactions between drug and co-amorphous coformer that persist during the dissolution...... are crucial to prevent recrystallization and to enhance dissolution of a co-amorphous formulation....

  14. On the origin of the Vogel–Fulcher–Tammann law in the thermo-responsive shape memory effect of amorphous polymers

    International Nuclear Information System (INIS)

    All amorphous shape memory polymers (SMPs) are featured by their relaxation behavior above and below the switching transition temperature (TSW). Above TSW, the glass transition and secondary transition merge together, resulting in the cooperative (α) movement in polymer macromolecules. Below TSW, movement is non-cooperative (β). In this study, three thermodynamic constitutive frameworks for the shape recovery behavior in amorphous SMPs are proposed based on the Arrhenius, Vogel–Fulcher–Tammann (VFT) and Bässler laws, respectively, and incorporated with parameters (stress, strain and relaxation time) as functions of temperature. The relaxation times of α and β movements satisfy the VFT and Arrhenius laws, respectively. The simulation is compared with the available experimental results reported in the literature for verification. The VFT law is found to be better than the other models, and is able to provide an accurate prediction for the temperature dependent relaxation behavior, from the Arrhenius behavior below, to the Williams–Landel–Ferry behavior above TSW. (paper)

  15. Dynamic coupling between stress and composition in polymer solutions and blends

    OpenAIRE

    Doi, Masao; Onuki, Akira

    1992-01-01

    Phenomenological hydrodynamic equations are proposed for entangled polymer blends as generalization of those for polymer solutions. They can describe coupling between macroscopic flow and relative diffusion. The key concept we use is the “tube velocity” introduced by Brochard in the problem of mutual diffusion in polymer blends. As applications, (i) we give a general expression for the time-correlation function of the polymer concentration around equilibrium and examine its relaxation in some...

  16. Performance of SuSi: a method for generating atomistic models of amorphous polymers based on a random search of energy minima.

    Science.gov (United States)

    Curcó, David; Alemán, Carlos

    2004-04-30

    The performance of a recently developed method to generate representative atomistic models of amorphous polymers has been investigated. This method, which is denoted SuSi, can be defined as a random generator of energy minima. The effects produced by different parameters used to define the size of the system and the characteristics of the generation algorithm have been examined. Calculations have been performed on poly(L,D-lactic) acid (rho = 1.25 g/cm3) and nylon 6 (rho = 1.084 g/cm(3)), which are important commercial polymers.

  17. Solvent-shift strategy to identify suitable polymers to inhibit humidity-induced solid-state crystallization of lacidipine amorphous solid dispersions.

    Science.gov (United States)

    Sun, Mengchi; Wu, Chunnuan; Fu, Qiang; Di, Donghua; Kuang, Xiao; Wang, Chao; He, Zhonggui; Wang, Jian; Sun, Jin

    2016-04-30

    The solvent-shift strategy was used to identify appropriate polymers that inhibit humidity-induced solid-state crystallization of amorphous solid dispersions (ASDs). Lacidipine with the polymers, PVP-K30, HPMC-E5 or Soluplus, were combined to form amorphous solid dispersions prepared by solvent evaporation. The formulations were characterized by differential scanning calorimetry (DSC), powder X-ray diffraction (PXRD), and Fourier-transform infrared spectroscopy (FT-IR) and were subjected to in vitro dissolution testing. The moisture had a significant impact on the amount dissolved for the solid dispersions. Molecular docking studies established that hydrogen bonding was critical for the stabilization of the solid dispersions. The rank order of the binding energy of the drug-polymer association was Soluplus (-6.21 kcal/mol)>HPMC-E5 (-3.21 kcal/mol)>PVP-K30 (-2.31 kcal/mol). PVP-K30 had the highest water uptake among the polymers, as did ASD system of lacidipine-PVP-K30 ASDs. In the Soluplus ASDs, with its strong drug-polymer interactions and low water uptake, moisture-induced solid-state crystallization was not observed.

  18. Transparent, amorphous and organics-free ZnO thin films produced by chemical solution deposition at 150 {sup o}C

    Energy Technology Data Exchange (ETDEWEB)

    Tellier, J. [Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia); Kuscer, D., E-mail: danjela.kuscer@ijs.s [Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia); Malic, B.; Cilensek, J.; Skarabot, M.; Kovac, J. [Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia); Goncalves, G. [CEMOP Uninova, CEMAT I3N, FCT-UNL, Caparica 2829-516 (Portugal); Musevic, I.; Kosec, M. [Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia)

    2010-07-01

    We have studied the low-temperature processing of ZnO by chemical solution deposition. A transparent, stable precursor solution prepared from zinc acetate dihydrate dissolved in 2-methoxyethanol was spin-coated on SiO{sub x}/Si, soda-lime glass and polymer substrates and heated at 150 {sup o}C. Selected thin films deposited on SiO{sub x}/Si were additionally heated at 450 {sup o}C. Microstructural and chemical analyses showed that the thin films heated at 150 {sup o}C in air were amorphous, contained no organic residues and had a root mean square roughness of 0.7 nm. The films deposited on SiO{sub x}/Si and heated at 450 {sup o}C were crystallised and consisted of randomly oriented grains with a diameter of about 20 nm. All thin films were transparent, exhibiting a transmission of over 80% in the visible range. The resistivity of the 120-nm thick ZnO films processed at 150 {sup o}C was 57 M{Omega} cm and upon heating at 450 {sup o}C it decreased to 1.9 k{Omega} cm.

  19. Electrostatics of polymer translocation events in electrolyte solutions.

    Science.gov (United States)

    Buyukdagli, Sahin; Ala-Nissila, T

    2016-07-01

    We develop an analytical theory that accounts for the image and surface charge interactions between a charged dielectric membrane and a DNA molecule translocating through the membrane. Translocation events through neutral carbon-based membranes are driven by a competition between the repulsive DNA-image-charge interactions and the attractive coupling between the DNA segments on the trans and the cis sides of the membrane. The latter effect is induced by the reduction of the coupling by the dielectric membrane. In strong salt solutions where the repulsive image-charge effects dominate the attractive trans-cis coupling, the DNA molecule encounters a translocation barrier of ≈10 kBT. In dilute electrolytes, the trans-cis coupling takes over image-charge forces and the membrane becomes a metastable attraction point that can trap translocating polymers over long time intervals. This mechanism can be used in translocation experiments in order to control DNA motion by tuning the salt concentration of the solution. PMID:27394120

  20. Electrostatics of polymer translocation events in electrolyte solutions.

    Science.gov (United States)

    Buyukdagli, Sahin; Ala-Nissila, T

    2016-07-01

    We develop an analytical theory that accounts for the image and surface charge interactions between a charged dielectric membrane and a DNA molecule translocating through the membrane. Translocation events through neutral carbon-based membranes are driven by a competition between the repulsive DNA-image-charge interactions and the attractive coupling between the DNA segments on the trans and the cis sides of the membrane. The latter effect is induced by the reduction of the coupling by the dielectric membrane. In strong salt solutions where the repulsive image-charge effects dominate the attractive trans-cis coupling, the DNA molecule encounters a translocation barrier of ≈10 kBT. In dilute electrolytes, the trans-cis coupling takes over image-charge forces and the membrane becomes a metastable attraction point that can trap translocating polymers over long time intervals. This mechanism can be used in translocation experiments in order to control DNA motion by tuning the salt concentration of the solution.

  1. Electrostatics of polymer translocation events in electrolyte solutions

    Science.gov (United States)

    Buyukdagli, Sahin; Ala-Nissila, T.

    2016-07-01

    We develop an analytical theory that accounts for the image and surface charge interactions between a charged dielectric membrane and a DNA molecule translocating through the membrane. Translocation events through neutral carbon-based membranes are driven by a competition between the repulsive DNA-image-charge interactions and the attractive coupling between the DNA segments on the trans and the cis sides of the membrane. The latter effect is induced by the reduction of the coupling by the dielectric membrane. In strong salt solutions where the repulsive image-charge effects dominate the attractive trans-cis coupling, the DNA molecule encounters a translocation barrier of ≈10 kBT. In dilute electrolytes, the trans-cis coupling takes over image-charge forces and the membrane becomes a metastable attraction point that can trap translocating polymers over long time intervals. This mechanism can be used in translocation experiments in order to control DNA motion by tuning the salt concentration of the solution.

  2. Improving battery safety by reducing the formation of Li dendrites with the use of amorphous silicon polymer anodes.

    Science.gov (United States)

    Maruyama, Hitoshi; Nakano, Hideyuki; Ogawa, Masahiro; Nakamoto, Masaaki; Ohta, Toshiaki; Sekiguchi, Akira

    2015-01-01

    To provide safe lithium-ion batteries (LIBs) at low cost, battery materials which lead to reduced Li dendrite formation are needed. The currently used anode materials have low redox voltages that are very close to the redox potential for the formation of Li metal, which leads to severe short circuiting. Herein, we report that when the three-dimensional amorphous silicon polymers poly(methylsilyne) and poly(phenylsilyne) are used as anode materials, dendritic Li formation on the anode surface is avoided up to a practical current density of 10 mA·g(-1) at 5 °C. Equally as significant, poly(methylsilyne) and poly(phenylsilyne) are capable of reacting with 0.45 and 0.9 Li atoms per formula unit, respectively, at an average voltage of approximately 1.0 V, affording reversible capacities of 244 mAh·g(-1) and 180 mAh·g(-1). Moreover, noteworthy is the fact that polysilynes are suitable for practical applications because they can be prepared through a simple and low-cost process and are easy to handle. PMID:26249325

  3. Microfluidics Meets Dilute Solution Viscometry: An Undergraduate Laboratory to Determine Polymer Molecular Weight Using a Microviscometer

    Science.gov (United States)

    Pety, Stephen J.; Lu, Hang; Thio, Yonathan S.

    2011-01-01

    This paper describes a student laboratory experiment to determine the molecular weight of a polymer sample by measuring the viscosity of dilute polymer solutions in a PDMS microfluidic viscometer. Sample data are given for aqueous solutions of poly(ethylene oxide) (PEO). A demonstration of shear thinning behavior using the microviscometer is…

  4. The missing link between the extensional dynamics of polymer melts and solutions

    DEFF Research Database (Denmark)

    Rasmussen, Henrik K.; Huang, Qian

    2014-01-01

    Based on extensional viscosities measured on narrow molecular weight distributed (NMMD) polystyrenes and polystyrene oligomer dilutions thereof, we discuss the relation between the flow physics of polymer solutions and melts. A polymer solution is here characterized as a dilution where the diluen...

  5. Strong stabilization of liquid amorphous calcium carbonate by ovalbumin: gaining insight into the mechanism of ‘polymer-induced liquid precursor’ processes

    Science.gov (United States)

    Leiterer, Jork; Pipich, Vitaliy; Barrea, Raul; Tremel, Wolfgang

    2011-01-01

    The impact of the ovo-proteins ovalbumin and lysozyme—present in the first stage of egg shell formation—on the homogeneous formation of the liquid-amorphous calcium carbonate (LACC) precursor, was studied by a combination of complementing methods: in situ WAXS, SANS, XANES, TEM, and immunogold labeling. Lysozyme (pI = 9.3) destabilizes the LACC emulsion whereas the glycoprotein ovalbumin (pI = 4.7) extends the lifespan of the emulsified state remarkably. In the light of the presented data: (a) Ovalbumin is shown to behave commensurable to the ‘polymer-induced liquid precursor’ (PILP) process proposed by Gower et al. Ovalbumin can be assumed to take a key role during eggshell formation where it serves as an effective stabilization agent for transient precursors and prevents undirected mineralization of the eggshell. (b) It is further shown that the emulsified LACC carries a negative surface charge and is electrostatically stabilized. (c) We propose that the liquid amorphous calcium carbonate is affected by polymers by depletion stabilization and de-emulsification rather than ‘induced’ by acidic proteins and polymers during a polymer-induced liquid-precursor process. The original PILP coating effect, first reported by Gower et al., appears to be a result of a de-emulsification process of a stabilized LACC phase. The behavior of the liquid amorphous carbonate phase and the polymer-induced liquid-precursor phase itself can be well described by colloid chemical terms: electrostatic and depletion stabilization and de-emulsification by depletion destabilization. PMID:21736300

  6. Strong stabilization of amorphous calcium carbonate emulsion by ovalbumin: gaining insight into the mechanism of 'polymer-induced liquid precursor' processes.

    Science.gov (United States)

    Wolf, Stephan E; Leiterer, Jork; Pipich, Vitaliy; Barrea, Raul; Emmerling, Franziska; Tremel, Wolfgang

    2011-08-17

    The impact of the ovo proteins ovalbumin and lysozyme--present in the first stage of egg shell formation--on the homogeneous formation of the liquid amorphous calcium carbonate (LACC) precursor, was studied by a combination of complementing methods: in situ WAXS, SANS, XANES, TEM, and immunogold labeling. Lysozyme (pI = 9.3) destabilizes the LACC emulsion whereas the glycoprotein ovalbumin (pI = 4.7) extends the lifespan of the emulsified state remarkably. In the light of the presented data: (a) Ovalbumin is shown to behave commensurable to the 'polymer-induced liquid precursor' (PILP) process proposed by Gower et al. Ovalbumin can be assumed to take a key role during eggshell formation where it serves as an effective stabilization agent for transient precursors and prevents undirected mineralization of the eggshell. (b) It is further shown that the emulsified LACC carries a negative surface charge and is electrostatically stabilized. (c) We propose that the liquid amorphous calcium carbonate is affected by polymers by depletion stabilization and de-emulsification rather than 'induced' by acidic proteins and polymers during a so-called polymer-induced liquid-precursor process. The original PILP coating effect, first reported by Gower et al., appears to be a result of a de-emulsification process of a stabilized LACC phase. The behavior of the liquid amorphous carbonate phase and the polymer-induced liquid-precursor phase itself can be well described by colloid chemical terms: electrostatic and depletion stabilization and de-emulsification by depletion destabilization. PMID:21736300

  7. Nanoscale Concentration Quantification of Pharmaceutical Actives in Amorphous Polymer Matrices by Electron Energy-Loss Spectroscopy.

    Science.gov (United States)

    Ricarte, Ralm G; Lodge, Timothy P; Hillmyer, Marc A

    2016-07-26

    We demonstrated the use of electron energy-loss spectroscopy (EELS) to evaluate the composition of phenytoin:hydroxypropyl methylcellulose acetate succinate (HPMCAS) spin-coated solid dispersions (SDs). To overcome the inability of bright-field and high-angle annular dark-field TEM imaging to distinguish between glassy drug and polymer, we used the π-π* transition peak in the EELS spectrum to detect phenytoin within the HPMCAS matrix of the SD. The concentration of phenytoin within SDs of 10, 25, and 50 wt % drug loading was quantified by a multiple least-squares analysis. Evaluating the concentration of 50 different regions in each SD, we determined that phenytoin and HPMCAS are intimately mixed at a length scale of 200 nm, even for drug loadings up to 50 wt %. At length scales below 100 nm, the variance of the measured phenytoin concentration increases; we speculate that this increase is due to statistical fluctuations in local concentration and chemical changes induced by electron irradiation. We also performed EELS analysis of an annealed 25 wt % phenytoin SD and showed that the technique can resolve concentration differences between regions that are less than 50 nm apart. Our findings indicate that EELS is a useful tool for quantifying, with high accuracy and sub-100 nm spatial resolution, the composition of many pharmaceutical and soft matter systems. PMID:27419264

  8. Elasticity and Extensibility Determine Printability and Spinnability of Polymer Solutions

    Science.gov (United States)

    Dinic, Jelena; Jimenez, Leidy; Sharma, Vivek

    Many advanced manufacturing technologies like inkjet and 3D printing, nano-fiber spinning involve complex free-surface flows, and the formation of columnar necks that undergo spontaneous capillary-driven thinning and pinch-off. The progressive self-thinning of neck is often characterized by self-similar profiles and scaling laws that depend on the relative magnitude of capillary, inertial and viscous stresses for simple (Newtonian and inelastic) fluids. Stream-wise velocity gradients that arise within the thinning columnar neck create an extensional flow field that can orient and stretch macromolecules, contributing extra elastic stresses and extensional viscosity that change thinning and pinch-off dynamics for polymeric complex fluids. Characterizing the filament thinning and break-up kinetics in jetting, dripping and stretching liquid bridge provides invaluable insight into the interplay of elastic, viscous, capillary and inertial stresses relevant for these applications. We elucidate how polymer composition, flexibility and molecular weight determine the thinning and pinch-off kinetics in our experiments. Both effective relaxation time and transient extensional viscosity are found to be strongly concentration dependent even for dilute solutions.

  9. Modeling of Dilute Polymer Solutions in Confined Space

    DEFF Research Database (Denmark)

    Wang, Yanwei

    2009-01-01

    to macromolecules is critical to the design and application of those devices. Our primary interest is to provide an understanding of the separation principle of polymers in size exclusion chromatography (SEC), where under ideal conditions the polymer concentration is low, and detailed enthalpic interactions......This thesis deals with modeling of a polymer chain subject to spatial confinement. The properties of confined macromolecules are both of fundamental interest in polymer physics and of practical importance in a variety of applications including chromatographic separation of polymers, and the use......-dimensional confining geometries (such as a square channel of cross-section d x d and a cubic box of length d), polymers with the same Rs possess the same partition coefficient Ko regardless of details in molecular structure (unless K o approaches 0). By imitating classical approaches to study the separation principle...

  10. Solidification Behavior of Polymer Solution during Membrane Preparation by Thermally Induced Phase Separation

    OpenAIRE

    Toru Ishigami; Yoko Nii; Yoshikage Ohmukai; Saeid Rajabzadeh; Hideto Matsuyama

    2014-01-01

    The solidification behavior of poly(vinylidene fluoride) (PVDF) solution during membrane preparation by thermally induced phase separation (TIPS) was investigated. Apparatus newly developed in our laboratory was used to quantitatively measure membrane stiffness during phase separation. In this apparatus, a cooling polymer solution, placed on a stage, is moved upwards and the surface of the polymer solution contacts a sphere attached to the tip of a needle. The displacement of a blade spring ...

  11. Side Chain Engineering in Solution-Processable Conjugated Polymers

    KAUST Repository

    Mei, Jianguo

    2014-01-14

    Side chains in conjugated polymers have been primarily utilized as solubilizing groups. However, these side chains have roles that are far beyond. We advocate using side chain engineering to tune a polymer\\'s physical properties, including absorption, emission, energy level, molecular packing, and charge transport. To date, numerous flexible substituents suitable for constructing side chains have been reported. In this Perspective article, we advocate that the side chain engineering approach can advance better designs for next-generation conjugated polymers. © 2013 American Chemical Society.

  12. Aspects récents de la thermodynamique des solutions de polymères Recent Aspects of the Thermodynamics of Polymer Solutions

    Directory of Open Access Journals (Sweden)

    Dayantis J.

    2006-11-01

    Full Text Available On examine dans cet article différentes approches de la thermodynamique des solutions de polymères placées dans leur contexte historique. On rappelle d'abord le modèle du réseau de Flory-Huggins et on en souligne les déficiences. On traite ensuite brièvement de la mécanique statistique des solutions de polymères introduite par Prigogine en 1957 et on montre qu'elle constitue un progrès qualitatif par rapport à la théorie du réseau, mais qu'elle ne prévoit cependant pas de manière quantitative les propriétés de ces solutions. On montre ensuite que le concept de volume libre, qui permet un traitement simplifié de certaines quantités, permet également d'expliquer tout naturellement l'existence d'une deuxième température de séparation en phase lorsque l'on élève la température, propriété qui différencie les solutions de polymères des mélanges de liquidés simples. Enfin, dans une dernière partie, on mentionne brièvement les travaux récents de l'École de Paris, qui traite les solutions de polymères par analogie avec les transitions magnétiques. This article examines différent approaches ta the thermodynamics of polymer solutions set in their historical context. First of all, the Flory-Huggins network model is described and ifs deficiencies are pointed out. Then attention is briefly drawn to the statistical mechanics of polymer solutions as introduced by Prigogine in 1957, and this mechanics is shown to be a qualitative advance compared with the network theory, but it nonetheless does not quantitatively predict the properties of such solutions. It is then shown that the concept of free volume, enabling some quantifies to be treated in a simplified way, also serves to provide a quite natural explanation for the existence of a second phase separation temperature when the temperature is raised, i. e. a property that differentiates polymer solutions from simple liquid mixtures. In the final part, brief mention is made

  13. High performance solution-deposited amorphous indium gallium zinc oxide thin film transistors by oxygen plasma treatment

    KAUST Repository

    Nayak, Pradipta K.

    2012-05-16

    Solution-deposited amorphous indium gallium zinc oxide (a-IGZO) thin film transistors(TFTs) with high performance were fabricated using O2-plasma treatment of the films prior to high temperature annealing. The O2-plasma treatment resulted in a decrease in oxygen vacancy and residual hydrocarbon concentration in the a-IGZO films, as well as an improvement in the dielectric/channel interfacial roughness. As a result, the TFTs with O2-plasma treated a-IGZO channel layers showed three times higher linear field-effect mobility compared to the untreated a-IGZO over a range of processing temperatures. The O2-plasma treatment effectively reduces the required processing temperature of solution-deposited a-IGZO films to achieve the required performance.

  14. Toward a Mesoscale Model for the Dynamics of Polymer Solutions

    Energy Technology Data Exchange (ETDEWEB)

    Miller, G H; Trebotich, D

    2006-10-02

    To model entire microfluidic systems containing solvated polymers we argue that it is necessary to have a numerical stability constraint governed only by the advective CFL condition. Advancements in the treatment of Kramers bead-rod polymer models are presented to enable tightly-coupled fluid-particle algorithms in the context of system-level modeling.

  15. Variation of persistence length with concentration in a hydrogen bonding polymer solution

    Science.gov (United States)

    Sukumaran, S.; Beaucage, G.

    2000-03-01

    Miscibility of some polymers in water is usually attributed to the ability of the polymer to hydrogen bond with water. Hydrogen bonding contributes a strong interaction component to the free energy that enhances mixing between the polymer and water. It is widely known that certain conformations of the polymer have significantly higher dipole moment and consequently higher affinity for water. If the solvent alters the bond rotation energetics of the polymer it is natural to expect the average local structure of the chain to be affected leading to a change in the persistence length. Small angle neutron scattering experiments were performed on aqueous (D2O) solutions of a polymer (PEO or PVME) at different concentrations to investigate the microscopic structure of these solutions. The persistence length was strongly dependent on concentration. A simple physical explanation for this phenomenon will be provided. Possible ramifications of such a phenomenon in understanding phase behavior will be indicated.

  16. Preparation of CdTe nanocrystal-polymer composite microspheres in aqueous solution by dispersing method

    Institute of Scientific and Technical Information of China (English)

    LI Minjie; WANG Chunlei; HAN Kun; YANG Bai

    2005-01-01

    Highly fluorescent CdTe nanocrystals were synthesized in aqueous solution, and then processible CdTe nanocrystal-polymer composites were fabricated by coating the aqueous nanocrystals with copolymers of styrene and octadecyl-p-vinyl-benzyldimethylammonium chloride (SOV- DAC) directly. A dichloromethane solution of CdTe nano- crystal-polymer composites was dispersed in the aqueous solution of poly (vinyl alcohol) (PVA) generating highly fluorescent microspheres. Experimental parameters such as the concentration of nanocrystal-polymer composites, the concentration of PVA, and stirring speed which had important effect on the preparation of the microspheres were investigated in detail with fluorescent microscope characterization.

  17. EFFECT OF ANIONIC SURFACTANT UPON THE VISCOSITY OF POLYMER GUAR GUM SOLUTIONS

    Institute of Scientific and Technical Information of China (English)

    Xiao-ming Chen; Hai-yang Yang; Xian You; Ping-ping Zhu; Ping-sheng Hea

    2006-01-01

    The reduced viscosity of polymer guar gum solutions containing a certain concentration of sodium dodecyl benzene sulfonate (SDBS) was measured. It has been found that the Huggins coefficient kH of polymer solutions is verysensitive to the concentration of the surfactant, cSDBS, in solutions. If cSDBS is lower than CMC, the critical micelle concentration of SDBS, kH increases rapidly with cSDBS. On the other hand, if cSDBS is larger than CMC, kH decreases rapidly with cSDBS. Comparatively, the intrinsic viscosity of polymer solution does not show a notable change with cSDBS. The experimental results indicate that the interchain association of polymer guar gum in solution is greatly associated with SDBS interacted with polymer chains through hydrogen bonds. However, the effect of SDBS upon the intrachain association of polymer guar gum solution is negligible, presumably due to the fact that guar gum is a slightly stiffened random-coil chain polymer.

  18. Universal aspects of macromolecules in polymer blends, solutions, and supercritical mixtures

    OpenAIRE

    Melnichenko, Y. B.; Wignall, G. D.; Schwahn, D.

    2002-01-01

    We demonstrate that macromolecules in miscible polymer blends may behave as good, Theta, and poor polymeric solvents for each other. We construct a conceptual phase diagram, delineating the range of validity of the random-phase approximation, outside of which polymers contract or expand beyond their unperturbed dimensions, contrary to common assumptions. Remarkably, the correlation length for polymer blends, solutions, and supercritical mixtures collapses onto a master curve, reflecting unive...

  19. Simple solution-processed titanium oxide electron transport layer for efficient inverted polymer solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Liang [CAS Key Laboratory of Bio-based Materials, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Shen, Wenfei [CAS Key Laboratory of Bio-based Materials, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Institute of Hybrid Materials, Laboratory of New Fiber Materials and Modern Textile—The Growing Base for State Key Laboratory, Qingdao University, Qingdao 266071 (China); Chen, Weichao [CAS Key Laboratory of Bio-based Materials, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Bao, Xichang, E-mail: baoxc@qibebt.ac.cn [CAS Key Laboratory of Bio-based Materials, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); Wang, Ning; Dou, Xiaowei; Han, Liangliang; Wen, Shuguang [CAS Key Laboratory of Bio-based Materials, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China)

    2014-12-31

    Titanium oxide (TiO{sub X}) is an effective electron transport layer (ETL) in polymer solar cells (PSCs). We report efficient inverted PSCs with a simple solution-processed amorphous TiO{sub X} (s-TiO{sub X}) film as an ETL. The s-TiO{sub X} film with high light transmittance was prepared by spin-coating titanium (IV) isopropoxide isopropanol solution on indium tin oxide coated glass in inert and then placed in air under room temperature for 60 min. The introduction of s-TiO{sub X} ETL greatly improved the short circuit current density of the devices. PSCs based on poly(3-hexylthiophene):[6,6]-phenyl-C61-butyric acid methyl ester and poly(4,8-bis-alkyloxy-benzo[1,2-b:4,5-b′]dithiophene-alt-alkylcarbonyl -thieno[3,4-b]thiophene):[6,6]-phenyl- C71-butyric acid methyl ester using s-TiO{sub X} film as ETL shows high power conversion efficiency of 4.29% and 6.7% under the illumination of AM 1.5G, 100 mW/cm{sup 2}, which shows enhancements compared to the conventional PSCs with poly(styrenesulfonate)-doped poly(ethylenedioxythiophene) as anode buffer layer. In addition, the device exhibits good stability in a humid ambient atmosphere without capsulation. The results indicate that the annealing-free, simple solution processed s-TiO{sub X} film is an efficient ETL for high-performance PSCs. - Highlights: • High quality s-TiO{sub X} films were prepared by a simple, solution method without thermal treatment. • The s-TiO{sub X} films with high transmittance are very smooth. • The organic photovoltaic performance with s-TiO{sub X} film improved greatly and exhibited good stability. • The annealing-free, simple prepared s-TiO{sub X} film will be much compatible with flexible substrates.

  20. Sorption of Ochratoxin A from aqueous solutions using beta-cyclodextrin-polyurethane polymer

    Science.gov (United States)

    The ability of a cyclodextrin-polyurethane polymer to remove ochratoxin A from aqueous solutions, including wine, was examined by batch rebinding assays and equilibrium sorption isotherms. The results were fit to two parameter models. Freundlich analysis of the sorption isotherm indicates the polyme...

  1. All solution processed tandem polymer solar cells based on thermocleavable materials

    DEFF Research Database (Denmark)

    Hagemann, Ole; Bjerring, Morten; Nielsen, Niels Chr.;

    2008-01-01

    Multilayer tandem polymer solar cells were prepared by solution processing using thermocleavable polymer materials that allow for conversion to an insoluble state through a short thermal treatment. The problems associated with solubility during application of subsequent layers in the stack were e...

  2. POLYMER COLLOIDS FORMED BY POLYELECTROLYTE COMPLEXATION OF VINYL POLYMERS AND POLYSACCHARIDES IN AQUEOUS SOLUTION

    Institute of Scientific and Technical Information of China (English)

    Hui-dan Liu; Takahiro Sato

    2013-01-01

    The polyelectrolyte complex formed from the polyanion and polycation was studied by turbidimetry,static and electrophoretic light scattering,and elementary analysis.Sodium salts of polyacrylate (PA) and heparin (Hep) were chosen as the polyanion,and hydrochloric salts of poly(vinyl amine) (PVA) and chitosan (Chts) as the polycation.Although these vinyl polymers and polysaccharides have remarkably different backbone chemical structures and linear charge densities,all the four combinations PA-PVA,PA-Chts,Hep-PVA,and Hep-Chts provide almost stoichiometric polyelectrolyte complexes which are slightly charged owing to the adsorption of the excess polyelectrolyte component onto the neutral complex.The charges stabilize the complex colloids in aqueous solution of a non-stoichiometric mixture,and the aggregation number of the complex colloids increases with approaching to the stoichiometric mixing ratio.The mixing ratio dependence of the aggregation number for the four complexes is explained by the model proposed in the previous study.

  3. Elastic Energy Transfer in Turbulence of Dilute Polymer Solution

    Science.gov (United States)

    Xi, Heng-Dong; Bodenschatz, Eberhard; Xu, Haitao

    2012-11-01

    We present an experimental study of the energy transfer in the bulk of a turbulent flow with small amount long-chain polymer additives. By varying the Reynolds numbers Rλ, Wissenberg number Wi and polymer concentration φ. We test quantitively the elastic theory proposed by de Gennes and Tabor (Europhys. Lett., 1986; Physica A, 1986). The rate of energy transfer by polymer elasticity as inferred from the theory is consistent with that measured from the second order Eulerian structure functions. The unknown parameter n in the theory, which represents the flow topology of the stretching field, is found to be nearly 1. Based on energy transfer rate balance, We propose an elastic length scale, rɛ, which describes the effect of polymer elasticity on turbulence energy cascade and captures the scale dependence of the elastic energy transfer rate. We are grateful to the Max Planck Society, the Alexander von Humboldt Foundation and the Deutsche Forschungsgemeinschaft for their support.

  4. A NOVEL INTERPRETATION OF CONCENTRATION DEPENDENCE OF VISCOSITY OF DILUTE POLYMER SOLUTION

    Institute of Scientific and Technical Information of China (English)

    Yan Pan; Rong-shi Cheng

    2000-01-01

    The concentration dependence of the reduced viscosity of dilute polymer solution is interpreted in the light of a new concept of the self-association of polymer chains in dilute solution. The apparent self-association constant is defined as the molar association constant divided by the molar mass of individual polymer chain and is numerically interconvertible with the Huggins coefficient. The molar association constant is directly proportional to the effective hydrodynamic volume of the polymer chain in solution and is irrespective of the chain architecture. The effective hydrodynamic volume accounts for the non-spherical conformation of a short polymer chain in solution and is a product of a shape factor and hydrodynamic volume. The observed enhancement of Huggins coefficient for short chain and branched polymer is satisfactorily interpreted by the concept of self-association. The concept of self-association allows us to predict the existence of a boundary concentration Cs (dynamic contact concentration) which divides the dilute polymer solution into two regions.

  5. Synthesis and Evaluation of Cyclodextrin-based Polymers for Patulin Extraction from Aqueous Solutions

    Science.gov (United States)

    Patulin is a mycotoxin produced by fungi that contaminate fruits, juices, and other agricultural commodities. Sorption properties of polyurethane-beta-cyclodextrin polymers were evaluated for the ability to remove patulin from solutions, including apple juice. Freundlich isotherm analysis determin...

  6. Determination of solute-polymer interaction properties and their application to parenteral product container compatibility evaluations.

    Science.gov (United States)

    Kenley, R A; Jenke, D R

    1990-09-01

    Kinetic and thermodynamic interaction properties between dialkyl phthalate test compounds and a polyolefin polymer were examined via a permeation-cell experimental design. Disappearance and appearance rates of solute in the receptor and donor solutions, as well as the equilibrium composition of the test system, are used to determine sorption and diffusion coefficients and the solute/polymer equilibrium binding constant. Sorption rate constants and diffusion coefficients exhibit Arrenhius-type behavior. The binding constants obtained correlate well with the solute's octanol-water partition coefficient. The kinetic and thermodynamic data generated combine with proposed interaction models to identify solute/polymer interactions (binding and leaching) pertinent to evaluating container/solution compatibility for parenteral products. PMID:2235889

  7. Polymer solution and lattice theory applications for modeling of asphaltene precipitation in petroleum mixtures

    OpenAIRE

    S. A. Mousavi-Dehghani; Mirzayi, B.; M. Vafaie-Sefti

    2008-01-01

    Here asphaltene precipitation in petroleum reservoirs during natural depletion and miscible gas injection is modeled via two distinct and new methods (polymer solution and lattice theories). The first model is based on the polymer solution theory, which is a combination of Miller's combinatorial term with a modified residual term of the original Flory-Huggins theory. The second one is the application of the well-known Sanchez-Lacombe equation of state (SL EOS) to describe the phase behavior o...

  8. Mathematical modeling of methoxyanabasine C11H16N2O polymer solution ultrafiltration

    Science.gov (United States)

    Satayev, Marat; Shakirov, Birzhan; Mutaliyeva, Botagoz; Satayeva, Lazzat; Altynbekov, Rustem; Baiysbay, Omirbek; Alibekov, Ravshanbek

    2012-06-01

    This work covers the mathematical modeling of ultrafiltration with immobile membranes for physiologically-active of methoxyanabasine C11H16N2O polymer solution. Methoxyanabasine is used as low toxic antineoplastic drug. On the basis of theoretical and experimental analysis of mass transfer and hydrodynamics, it is offered the mathematical model of permeability of membranes at an ultrafiltration of polymer solutions. Further the formulas for determination of factor of concentration polarization and ultrafiltration selectivity are calculated.

  9. Application of the van der Waals equation of state to polymers .4. Correlation and prediction of lower critical solution temperatures for polymer solutions

    DEFF Research Database (Denmark)

    Goncalves, Ana Saraiva; Kontogeorgis, Georgios; Harismiadis, Vassilis I.;

    1996-01-01

    The van der Waals equation of state is used for the correlation and the prediction of the lower critical solution behavior or mixtures including a solvent and a polymer. The equation of state parameters for the polymer are estimated from experimental volumetric data at low pressures. The equation...... of state parameters for the solvent are estimated via the classical Soave method, i.e. using the critical properties and a generalized equation for the energy parameter. When extended to mixtures, the van der Waals one-fluid mixing rules along with the Berthelot combining rule for the molecular cross...... energy parameter are used. The arithmetic mean combining rule is used for the cross co-volume parameter. The deviations from the Berthelot combining rule are taken into account via a simple expression which has been previously obtained from vapor-liquid equilibrium data of athermal polymer solutions...

  10. Block copolymer micelle coronas as quasi-two-dimensional dilute or semidilute polymer solutions

    DEFF Research Database (Denmark)

    Svaneborg, C.; Pedersen, J.S.

    2001-01-01

    Chain-chain interactions in a corona of polymers tethered to a spherical core under good solvent conditions are studied using Monte Carlo simulations. The total scattering function of the corona as well as different partial contributions are sampled. By combining the different contributions...... in a self-consistent approach, it is demonstrated that the corona can be regarded as a quasi-two-dimensional polymer solution, with a concentration dependence analogous to that of an ordinary polymer solution. Scattering due to the corona profile and density fluctuation correlations are separated...

  11. Sub-100 °C solution processed amorphous titania nanowire thin films for high-performance perovskite solar cells

    Science.gov (United States)

    Wu, Wu-Qiang; Chen, Dehong; Huang, Fuzhi; Cheng, Yi-Bing; Caruso, Rachel A.

    2016-10-01

    The present work demonstrates a facile one-step process to fabricate thin films of amorphous titania nanowires on transparent conducting oxide substrates via hydrolysis of potassium titanium oxide oxalate in an aqueous solution at 90 °C. The resultant titania nanowire thin films (that have not undergone further annealing) are efficient electron transport layers in CH3NH3PbI3 perovskite solar cells, yielding full sun solar-to-electricity conversion efficiencies of up to 14.67% and a stabilized efficiency of 14.00% under AM 1.5G one sun illumination, comparable to high temperature sintered TiO2 counterparts. The high photovoltaic performance is attributed to the porous nanowire network that facilitates perovskite infiltration, its unique 1D geometry and excellent surface coverage for efficient electron transport, as well as suppressed charge recombination between FTO and perovskite.

  12. Effect of polymer matrix on structure of Se particles formed in aqueous solutions during redox process

    Energy Technology Data Exchange (ETDEWEB)

    Suvorova, E. I., E-mail: suvorova@ns.crys.ras.ru; Klechkovskaya, V. V. [Shubnikov Institute of Crystallography of Russian Academy of Sciences (Russian Federation)

    2010-12-15

    Transmission electron microscopy and X-ray energy dispersive microanalysis study of the structure of particles formed during the reduction of Se(IV) to Se(0) in aqueous solutions in the presence of amphiphilic polymers showed the formation of Se/polymer composite particles. The content of carbon inside the particles can be as large as 80 at %. Polymers deeply influence the structure of particles. Depending on polymers, the composite particles may be unstable with time and they spontaneously evolve from Se/polymer composite particles to crystalline particles of monoclinic Se. For the stable ones, addition of bacterial cellulose Acetobacter xylinum gel-film can induce crystallization in the particles which expel the polymeric material. The Se/polymer composite particles and Se crystalline particles exhibit different sensitivity to electron irradiation and stiffness.

  13. Hybrid light emitting diodes based on solution processed polymers, colloidal quantum dots, and colloidal metal nanoparticles

    Science.gov (United States)

    Ma, Xin

    This dissertation focuses on solution-processed light-emitting devices based on polymer, polymer/PbS quantum dot, and polymer/silver nanoparticle hybrid materials. Solution based materials and organic/inorganic hybrid light emitting diodes attracted significant interest recently due to many of their advantages over conventional light emitting diodes (LEDs) including low fabrication cost, flexible, high substrate compatibility, as well as tunable emission wavelength of the quantum dot materials. However, the application of these novel solution processed materials based devices is still limited due to their low performances. Material properties and fabrication parameters need to be carefully examined and understood for further device improvement. This thesis first investigates the impact of solvent property and evaporation rate on the polymer molecular chain morphology and packaging in device structures. Solvent is a key component to make the active material solution for spin coating fabrication process. Their impacts are observed and examined on both polymer blend system and mono-polymer device. Secondly, PbS colloidal quantum dot are introduced to form hybrid device with polymer and to migrate the device emission into near-IR range. As we show, the dithiol molecules used to cross-link quantum dots determine the optical and electrical property of the resulting thin films. By choosing a proper ligand for quantum dot ligand exchange, a high performance polymer/quantum dot hybrid LED is fabricated. In the end, the interaction of polymer exciton with surface plasmon mode in colloidal silver nanoparticles and the use of this effect to enhance solution processed LEDs' performances are investigated.

  14. Solubility in Compressible Polymers: Beyond the Regular Solution Theory

    OpenAIRE

    Smith, Albert A.; Gujrati, P. D.

    2006-01-01

    The age-old idea of "like dissolves like" requires a notion of "likeness" that is hard to quantify for polymers. We revisit the concepts of pure component cohesive energy density $c^{\\text{P}}$ and mutual cohesive energy density $c_{12}$ so that they can be extended to polymers. We recognize the inherent limitations of $c_{12}$ due to its very definition, which is based on the assumption of no volume of mixing (true for incompressible systems), one of the assumptions in the random mixing appr...

  15. Liquid-liquid equilibria for polymer solutions and blends, including copolymers

    Energy Technology Data Exchange (ETDEWEB)

    Song, Y.; Hino, T.; Lambert, S.M.; Prausnitz, J.M.

    1995-02-01

    A simplified perturbed hard-sphere-chain (PHSC) theory is applied to interpret, correlate, and (in part) predict liquid-liquid equilibria (LLE) for polymer solutions and blends, including copolymers. The PHSC equation of state uses a hard-sphere-chain reference system plus a van der Waals attractive perturbation. Three pure-component parameters are obtained from readily available thermodynamic properties. Mixture parameters are obtained using pure-component parameters, conventional combining rules, and one or two binary constants. Theoretical and experimental coexistence curves and miscibility maps show good agreement for selected blends containing polymers and copolymers. For LLE of dilute or semi-dilute solvent/polymer solutions, it is necessary to decrease the pure-component polymer chain length, probably because the mean-field approximation is not suitable for such solutions.

  16. Tribocorrosion Behavior of Fe-Based Amorphous Composite Coating Reinforced by Al2O3 in 3.5% NaCl Solution

    Science.gov (United States)

    Yasir, Muhammad; Zhang, Cheng; Wang, Wei; Zhang, Zhi-Wei; Liu, Lin

    2016-09-01

    Although corrosion and friction/wear behavior of Fe-based amorphous coatings and their composites has been extensively studied during the past decade, there is very limited work related to tribocorrosion behavior. In this paper, the tribocorrosion behavior of a Fe-based amorphous composite coating reinforced with 20 wt.% Al2O3 particles was investigated in a 3.5% NaCl solution on a ball-on-disk tester and was compared to the monolithic amorphous coating and 316L stainless steel (SS). The results showed that the amorphous composite coating exhibited the highest tribocorrosion resistance among the three materials tested, as evidenced by the lowest coefficient of friction (~0.3) and tribocorrosion wear rate (~1.2 × 10-5 mm3/N·m). In addition, potentiodynamic polarization measurements before and during tribocorrosion testing demonstrated that corrosion resistance of the amorphous composite coating was not influenced so much by mechanical loading compared to the amorphous coating and the 316L SS. Observations on the worn surface revealed a corrosion-wear- and oxidational-wear-dominated tribocorrosion mechanism for the composite coatings. The excellent tribocorrosion resistance of the composite coating results from the effect of chemically stable Al2O3 phase which resists oxidation and delamination during sliding, along with poor wettability with corrosive NaCl droplets.

  17. Improvement of Physico-mechanical Properties of Partially Amorphous Acetaminophen Developed from Hydroalcoholic Solution Using Spray Drying Technique

    Directory of Open Access Journals (Sweden)

    Fatemeh Sadeghi

    2013-10-01

    Full Text Available   Objective(s: This study was performed aiming to investigate the effect of particle engineering via spray drying of hydroalcoholic solution on solid states and physico-mechanical properties of acetaminophen.   Materials and Methods: Spray drying of hydroalcoholic solution (25% v/v ethanol/water of acetaminophen (5% w/v in the presence of small amounts of polyninylpyrrolidone K30 (PVP (0, 1.25, 2.5 and 5% w/w based on acetaminophen weight was carried out. The properties of spray dried particles namely morphology, surface characteristics, particle size, crystallinity, dissolution rate and compactibility were evaluated. Results: Spray drying process significantly changed the morphology of acetaminophen crystals from acicular (rod shape to spherical microparticle. Differential scanning calorimetery (DSC and x-ray powder diffraction (XRPD studies ruled out any polymorphism in spray dried samples, however, a major reduction in crystallinity up to 65%, especially for those containing 5% w/w PVP was observed. Spray dried acetaminophen particles especially those obtained in the presence of PVP exhibited an obvious improvement of the dissolution and compaction properties. Tablets produced from spray dried samples exhibited excellent crushing strengths and no tendency to cap. Conclusions: The findings of this study revealed that spray drying of acetaminophen from hydroalcoholic solution in the presence of small amount of PVP produced partially amorphous particles with improved dissolution and excellent compaction properties.

  18. Communication: Polarizable polymer chain under external electric field in a dilute polymer solution

    International Nuclear Information System (INIS)

    We study the conformational behavior of polarizable polymer chain under an external homogeneous electric field within the Flory type self-consistent field theory. We consider the influence of electric field on the polymer coil as well as on the polymer globule. We show that when the polymer chain conformation is a coil, application of external electric field leads to its additional swelling. However, when the polymer conformation is a globule, a sufficiently strong field can induce a globule-coil transition. We show that such “field-induced” globule-coil transition at the sufficiently small monomer polarizabilities goes quite smoothly. On the contrary, when the monomer polarizability exceeds a certain threshold value, the globule-coil transition occurs as a dramatic expansion in the regime of first-order phase transition. The developed theoretical model can be applied to predicting polymer globule density change under external electric field in order to provide more efficient processes of polymer functionalization, such as sorption, dyeing, and chemical modification

  19. Communication: Polarizable polymer chain under external electric field in a dilute polymer solution

    Science.gov (United States)

    Budkov, Yu. A.; Kolesnikov, A. L.; Kiselev, M. G.

    2015-11-01

    We study the conformational behavior of polarizable polymer chain under an external homogeneous electric field within the Flory type self-consistent field theory. We consider the influence of electric field on the polymer coil as well as on the polymer globule. We show that when the polymer chain conformation is a coil, application of external electric field leads to its additional swelling. However, when the polymer conformation is a globule, a sufficiently strong field can induce a globule-coil transition. We show that such "field-induced" globule-coil transition at the sufficiently small monomer polarizabilities goes quite smoothly. On the contrary, when the monomer polarizability exceeds a certain threshold value, the globule-coil transition occurs as a dramatic expansion in the regime of first-order phase transition. The developed theoretical model can be applied to predicting polymer globule density change under external electric field in order to provide more efficient processes of polymer functionalization, such as sorption, dyeing, and chemical modification

  20. On the origin of Gaussian network theory in the thermo/chemo-responsive shape memory effect of amorphous polymers undergoing photo-elastic transition

    Science.gov (United States)

    Lu, Haibao; Huang, Wei Min; Leng, Jinsong

    2016-06-01

    Amorphous polymers are normally isotropic in their physical properties, however, upon stress their structural randomness is disturbed and they become anisotropic. There is a close connection between the optical anisotropy and the elastic (or mechanical) anisotropy, since both are related to the type of symmetry exhibited by the molecular structure. On the origin of Gaussian network theory, a phenomenological constitutive framework was proposed to study the photo-elastic transition and working mechanism of the thermo-/chemo-responsive shape-memory effect (SME) in amorphous shape memory polymers (SMPs). Optically refractive index was initially employed to couple the stress, strain and the anisotropy of the random link in macromolecule chain. Based on the Arrhenius law, a constitutive framework was then applied for the temperature dependence of optical (or elastic or mechanical) anisotropy according to the fictive temperature parameter. Finally, the phenomenological photo-elastic model was proposed to quantitatively identify the influential factors behind the thermo-/chemo-responsive SME in SMPs, of which the shape recovery behavior is predicted and verified by the available experimental data reported in the literature.

  1. Impact of sodium polyacrylate on the amorphous calcium carbonate formation from supersaturated solution.

    Science.gov (United States)

    Liu, J; Pancera, S; Boyko, V; Gummel, J; Nayuk, R; Huber, K

    2012-02-21

    A detailed in situ scattering study has been carried out on the formation of amorphous calcium carbonate (ACC) particles modulated by the presence of small amounts of sodium polyacrylate chains. The work is aiming at an insight into the modulation of ACC formation by means of two polyacrylate samples differing in their molecular weight by a factor of 50. The ACC formation process was initiated by an in situ generation of CO(3)(2-) ions via hydrolysis of 10 mM dimethylcarbonate in the presence of 10 mM CaCl(2). Analysis of the formation process by means of time-resolved small-angle X-ray and light scattering in the absence of any additives provided evidence for a monomer addition mechanism for the growth of ACC particles. ACC formation under these conditions sets in after a lag-period of some 350 s. In the presence of sodium polyacrylate chains, calcium polyacrylate aggregates are formed during the lag-period, succeeded by a modulated ACC growth in a second step. The presence of anionic polyacrylate chains changed the shape of the growing particles toward loose and less homogeneous entities. In the case of low amounts (1.5-7.5 mg/L) of the long chain additive with 97 kDa, the size of the aggregates is comparable to the size of the successively formed hybrid particles. No variation of the lag-period has been observed in this case. Use of the short chain additive with 2 kDa enabled increase of the additive concentration up to 100 mg/L and resulted in a significant increase of the lag-period. This fact, together with the finding that the resulting hybrid particles remained stable in the latter case, identified short chain sodium polyacrylates as more efficient modulators than long chain polyacrylates. PMID:22256962

  2. Elastic turbulence in a shell model of polymer solution

    CERN Document Server

    Ray, Samriddhi Sankar

    2016-01-01

    We show that, at low inertia and large elasticity, shell models of viscoelastic fluids develop a chaotic behaviour with properties similar to those of elastic turbulence. The low dimensionality of shell models allows us to explore a wide range both in polymer concentration and in Weissenberg number. Our results demonstrate that the physical mechanisms at the origin of elastic turbulence do not rely on the boundary conditions or on the geometry of the mean flow.

  3. SANS structural characterization of fullerenol-derived star polymers in solutions

    CERN Document Server

    Jeng, U S; Wang, L Y; Chiang, L Y; Ho, D L; Han, C C

    2002-01-01

    We have studied the chain conformations of fullerenol-derived star polymers in two organic solvents using small-angle neutron scattering (SANS). The SANS results indicate that the six poly(urethane-ether) arms, chemically bonded on the fullerenol of the C sub 6 sub 0 -based star polymer, have a Gaussian chain conformation in toluene. However, these arms exhibit a pronounced excluded-volume effect in dimethylformamide solutions. We use a scattering model, with the polydispersity of the polymer taken into account, and a fractal model to extract the radius of gyration R sub g values and the persistence lengths of the C sub 6 sub 0 -star polymers in these two organic solutions. (orig.)

  4. Ultrafast photogeneration of charged polarons on conjugated polymer chains in dilute solution

    Science.gov (United States)

    Miranda, Paulo B.; Moses, Daniel; Heeger, Alan J.

    2004-08-01

    Ultrafast photoinduced absorption by infrared-active vibrational modes is used to study the photogeneration of polarons on semiconducting polymer chains in dilute solutions and in solid films of a soluble derivative of poly(para-phenylene vinylene). In dilute solutions, polaron pairs are photogenerated on the conjugated polymer within less than 250fs with quantum efficiencies ϕch˜3% , about one-third of that for solid films of the same polymer. The excitation spectra of ϕch for both solutions and films show that ϕch is weakly dependent on photon energy between 2.2eV (the onset of absorption) and 4.7eV . The recombination dynamics of polarons is very fast and highly dependent on the excitation density for polymer films, but it is significantly slower and less sensitive to pump intensity for the semiconducting polymer in dilute solution. We conclude that the positive and negative polarons on a single chain in solution are typically separated by hundreds of monomer repeat units and that their one-dimensional diffusion along the chain is inhibited by the intervening excitons. This, together with the suppression of interchain recombination, explains the surprisingly slower polaron recombination in isolated chains.

  5. On the formation of oriented nanometer scale patterns on amorphous polymer surfaces studied by atomic force microscopy

    NARCIS (Netherlands)

    Pickering, J.P.; Vancso, G.J.

    1999-01-01

    Nanometer scale patterns were formed on the surface of several amorphous polystyrenes by a scanning probe microscope (SPM) operating in the contact mode. In order to better understand the nature of their formation, samples of several molar masses were systematically examined at room temperature in a

  6. Interactions between ring polymers in dilute solution studied by Monte Carlo simulation

    Science.gov (United States)

    Suzuki, Jiro; Takano, Atsushi; Matsushita, Yushu

    2015-01-01

    The second virial coefficient, A2, for trivial-ring polymers in dilute condition was estimated from a Metropolis Monte Carlo (MC) simulation, and the temperature dependence of A2 has been discussed with their Flory's scaling exponent, ν, in Rg ∝ Nν, where Rg is radius of gyration of a polymer molecule. A limited but not too small number of polymer molecules were employed in the simulation, and the A2 values at various temperatures were calculated from the molecular density fluctuation in the solution. In the simulation, the topology of ring polymers was kept, since chain crossing was prohibited. The excluded volume effects can be screened by the attractive force between segments, which depends on the temperature, Tα, defined in the Metropolis MC method. Linear and trivial-ring polymers have the ν value of 1/2 at Tα = 10.605 and 10.504. At Tα = 10.504, the excluded volume effects are screened by the attractive force generated between segments in a ring polymer, but the A2 value for ring polymers is positive. Thus, the temperature at A2 = 0 for a ring polymer is lower than that at ν = 1/2, and this fact can be explained with the following two reasons. (a) Rg value for a ring polymer is much smaller than that for a linear polymer at the same temperature and molecular weight, where interpenetration of a ring polymer chain into neighboring chains is apparently less than a linear chain. (b) The conformation of trivial rings can be statistically described as a closed random walk at ν = 1/2, but their topologies are kept, being produced topological constraints, which strongly relate not only to the long-distance interaction between segments in a molecule but also the inter-molecular interaction.

  7. Consistent and transferable coarse-grained model for semidilute polymer solutions in good solvent.

    Science.gov (United States)

    D'Adamo, Giuseppe; Pelissetto, Andrea; Pierleoni, Carlo

    2012-07-14

    We present a coarse-grained model for linear polymers with a tunable number of effective atoms (blobs) per chain interacting by intra- and intermolecular potentials obtained at zero density. We show how this model is able to accurately reproduce the universal properties of the underlying solution of athermal linear chains at various levels of coarse-graining and in a range of chain densities which can be widened by increasing the spatial resolution of the multiblob representation, i.e., the number of blobs per chain. The present model is unique in its ability to quantitatively predict thermodynamic and large scale structural properties of polymer solutions deep in the semidilute regime with a very limited computational effort, overcoming most of the problems related to the simulations of semidilute polymer solutions in good solvent conditions.

  8. Polymer solution and lattice theory applications for modeling of asphaltene precipitation in petroleum mixtures

    Directory of Open Access Journals (Sweden)

    S. A. Mousavi-Dehghani

    2008-09-01

    Full Text Available Here asphaltene precipitation in petroleum reservoirs during natural depletion and miscible gas injection is modeled via two distinct and new methods (polymer solution and lattice theories. The first model is based on the polymer solution theory, which is a combination of Miller's combinatorial term with a modified residual term of the original Flory-Huggins theory. The second one is the application of the well-known Sanchez-Lacombe equation of state (SL EOS to describe the phase behavior of asphaltene compounds in crude oil. The results of both models show an acceptable and good agreement between the real data (field and experimental and these two models. As it can be seen from the obtained results of these two models, it seems application of the lattice or polymer solution theories (based on The Miller's combinatorial term could give the better and more close to real data.

  9. Influence of Salts on Electrospinning of Aqueous and Nonaqueous Polymer Solutions

    Directory of Open Access Journals (Sweden)

    Fatma Yalcinkaya

    2015-01-01

    Full Text Available A roller electrospinning system was used to produce nanofibres by using different solution systems. Although the process of electrospinning has been known for over half a century, knowledge about spinning behaviour is still lacking. In this work, we investigated the effects of salt for two solution systems on spinning performance, fibre diameter, and web structure. Polyurethane (PU and polyethylene oxide (PEO were used as polymer, and tetraethylammonium bromide and lithium chloride were used as salt. Both polymer and salt concentrations had a noteworthy influence on the spinning performance, morphology, and diameter of the nanofibres. Results indicated that adding salt increased the spinnability of PU. Salt created complex bonding with dimethylformamide solvent and PU polymer. Salt added to PEO solution decreased the spinning performance of fibres while creating thin nanofibres, as explained by the leaky dielectric model.

  10. Thermal analysis of frozen solutions: multiple glass transitions in amorphous systems.

    Science.gov (United States)

    Sacha, Gregory A; Nail, Steven L

    2009-09-01

    Frozen aqueous solutions of sucrose exhibit two "glass transition-like" thermal events below the melting endotherm of ice when examined by DSC, but the physical basis of these events has been a source of some disagreement. In this study, a series of sugars, including sucrose, lactose, trehalose, maltose, fructose, galactose, fucose, mannose, and glucose were studied by modulated DSC and freeze-dry microscopy in order to better understand whether sucrose is unique in any way with respect to this behavior, as well as to explore the physical basis, and the pharmaceutical significance of these multiple transitions. Double transitions were found to be a common feature of all sugars examined. The results are consistent with both thermal events being glass transitions in that (1) both events have second-order characteristics that appear in the reversing signals, (2) annealing experiments reveal that enthalpy recovery is associated with each transition, and (3) Lissajous plots indicate that no detectable latent heat of melting is associated with either transition. The data in this study are consistent with the idea that the lower temperature transition arises from a metastable glassy mixture containing more water than that in the maximally freeze-concentrated solute. Freeze-dry microscopy observations show that for all of the sugars examined, it is the higher temperature transition that is associated with structural collapse during freeze-drying. There is no apparent pharmaceutical significance associated with the lower-temperature transition. PMID:19384925

  11. Bridging the Gap between Polymer Melts and Solutions in Extensional Rheology

    DEFF Research Database (Denmark)

    Huang, Qian; Hengeller, Ludovica; Alvarez, Nicolas J.;

    2015-01-01

    Since its inception, the tube model of polymer dynamics has undergone several modifications to account for observed experimental trends. One trend that has yet to be captured by a modified version of the tube model is the observed experimental difference between concentrated polymer solutions and...... per chain and are diluted in the same solvent (oligomeric styrene). We show that the difference in nonlinear rheological behavior between polystyrene melts reported by Bach et al.1 and polystyrene solutions reported by Bhattacharjee et al.2 and Sridhar et al.3 can be bridged by changing the...... polystyrene concentration. The results presented represent a unique benchmark for all future modifications to the tube model....

  12. Impact of soft annealing on the performance of solution-processed amorphous zinc tin oxide thin-film transistors

    KAUST Repository

    Nayak, Pradipta K.

    2013-05-08

    It is demonstrated that soft annealing duration strongly affects the performance of solution-processed amorphous zinc tin oxide thin-film transistors. Prolonged soft annealing times are found to induce two important changes in the device: (i) a decrease in zinc tin oxide film thickness, and (ii) an increase in oxygen vacancy concentration. The devices prepared without soft annealing exhibited inferior transistor performances, in comparison to devices in which the active channel layer (zinc tin oxide) was subjected to soft annealing. The highest saturation field-effect mobility - 5.6 cm2 V-1 s-1 with a drain-to-source on-off current ratio (Ion/Ioff) of 2 × 108 - was achieved in the case of devices with 10-min soft-annealed zinc tin oxide thin films as the channel layer. The findings of this work identify soft annealing as a critical parameter for the processing of chemically derived thin-film transistors, and it correlates device performance to the changes in material structure induced by soft annealing. © 2013 American Chemical Society.

  13. CISM Course on Fluid Mechanics of Surfactant and Polymer Solutions

    CERN Document Server

    Ivanov, Ivan

    2004-01-01

    Colloidal systems and dispersions are of great importance in oil recovery, waist water treatment, coating, food and beverage industry, pharmaceutical industry, medicine, environmental protection etc. Colloidal systems and dispersions are always multi-component and multiphase systems. In these systems at least one dimension is in a range of colloidal forces action: colloidal dispersions/emulsions are examples of three dimensional colloidal systems, while thin liquid films are examples of one dimensional colloidal systems. The contribution presented in this issue deals with flow, distribution and redistribution, coating and deposition of surfactant and polymer molecules in colloidal systems. The book presents reviews of recent advances and trends by well-know scientists and engineers in this area.

  14. Pseudo-one-dimensional nucleation in dilute polymer solutions

    Science.gov (United States)

    Zhang, Lingyun; Schmit, Jeremy D.

    2016-06-01

    Pathogenic protein fibrils have been shown in vitro to have nucleation-dependent kinetics despite the fact that one-dimensional structures do not have the size-dependent surface energy responsible for the lag time in classical theory. We present a theory showing that the conformational entropy of the peptide chains creates a free-energy barrier that is analogous to the translational entropy barrier in higher dimensions. We find that the dynamics of polymer rearrangement make it very unlikely for nucleation to succeed along the lowest free-energy trajectory, meaning that most of the nucleation flux avoids the free-energy saddle point. We use these results to construct a three-dimensional model for amyloid nucleation that accounts for conformational entropy, backbone H bonds, and side-chain interactions to compute nucleation rates as a function of concentration.

  15. INFLUENCE OF SOLVENT AND POLYMER SORT ON ANOMALOUS RHEOLOGICAL BEHAVIOR OF POLYMER SOLUTION AT HIGH DILUTION

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The rheological behavior of polyvinyl acetate (PVAc) in N,N'-dimethylformamide (DMF), methyl ethyl ketone (MEK), 1,2-dichloroethane (DCE), tetrahydrofuran (THF) and toluene (TOL), polystyrene (PS) in DMF, MEK, DCE, THF and cyclohexane (CYH), and random ethylene-vinyl acetate (EVA) copolymer in DCE, TOL, CYH with and without surfactant of Span80 and in the DCE/CYH solvent mixtures with surfactant of Span80 was examined at high dilution. It was shown that the extent and type of the upsweep or downsweep (anomalous rheological behavior) of the reduced viscosity-concentration curves of these different polymers at high dilution are markedly dependent on the dielectric constant of the solvent and the polarity of the polymer used. The experimental results indicated that the anomalous rheological behavior of EVA copolymer, widely used as a flow improver, is related to its efficiency in reducing viscosity and depressing pour point of crude oil and waxy solvents.

  16. Hybrid materials from organic polymers and inorganic salts

    OpenAIRE

    Köberle, Peter; Laschewsky, André

    2008-01-01

    The prepaparation of amorphous, homogeneous blends of zwitterionic polymers and transition metal salts was investigated. Homogeneous miscibility was achieved in many cases up to equimolar amounts of salt, depending on the anion and cation chosen. Various analytical techniques point to a solid state solution of the inorganic ions in the polymer matrix.

  17. Particle manipulation through polymer solutions in microfluidic processes

    Science.gov (United States)

    Del Giudice, F.; D'Avino, G.; Villone, M. M.; Greco, F.; Maffettone, P. L.

    2015-12-01

    Manipulation of particles suspended in fluids flowing in microfluidic channels is required in a variety of biological, diagnostic and therapeutic applications. For instance, alignment of particles into a tight stream is a necessary step prior to counting, detecting, and sorting. Generally, this task is accomplished by using a Newtonian fluid as suspending medium and by properly fabricating a complex device aimed to displace particle trajectories. In the last years, however, the use of polymeric liquids in microfluidic processes has received a growing interest. Indeed, the addition of a small amount of polymer in a Newtonian suspension flowing in a channel promotes "internal" forces that can be exploited to manipulate the trajectories of suspended particles in simple devices. In this work, we show the possibility to align particles in simple square-shaped microfluidic channels by exploiting viscoelastic forces in flowing suspending liquids. Experiments have been performed to investigate the effect of the channel length, flow rate, confinement ratio (i.e., the ratio between the particle and channel size) and fluid rheology on the particle alignment. Finally, we present experimental results where particle alignment induced by fluid viscoelasticity is combined with magnetophoresis to deflect magnetic beads in a H-shaped channel. High-efficiency separation of magnetic and non-magnetic beads is demonstrated.

  18. Tuning the critical solution temperature of polymers by copolymerization

    OpenAIRE

    Schulz, Bernhard; Chudoba, Richard; Heyda, Jan; Dzubiella, Joachim

    2015-01-01

    We study statistical copolymerization effects on the upper critical solution temperature (CST) of generic homopolymers by means of coarse-grained Langevin dynamics computer simulations and mean-field theory. Our systematic investigation reveals that the CST can change monotonically or non-monotonically with copolymerization, as observed in experimental studies, depending on the degree of non-additivity of the monomer (A-B) cross-interactions. The simulation findings are confirmed and qualitat...

  19. Prediction of Solution Properties of Flexible-Chain Polymers: A Computer Simulation Undergraduate Experiment

    Science.gov (United States)

    de la Torre, Jose Garcia; Cifre, Jose G. Hernandez; Martinez, M. Carmen Lopez

    2008-01-01

    This paper describes a computational exercise at undergraduate level that demonstrates the employment of Monte Carlo simulation to study the conformational statistics of flexible polymer chains, and to predict solution properties. Three simple chain models, including excluded volume interactions, have been implemented in a public-domain computer…

  20. Liquid-liquid equilibria for binary and ternary polymer solutions with PC-SAFT

    DEFF Research Database (Denmark)

    Lindvig, Thomas; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2004-01-01

    Two algorithms for evaluating liquid-liquid equilibria (LLE) for binary and ternary polymer solutions are presented. The binary algorithm provides the temperature versus concentration cloud-point curve at fixed pressure, whereas the ternary algorithm provides component 1 versus component 2...... accuracy, even by using interaction parameters obtained from binary vapor-liquid equlibrium data....

  1. Tension, rigidity and preferential curvature of interfaces between coexisting polymer solutions

    NARCIS (Netherlands)

    Tromp, R.H.; Blokhuis, E.M.

    2013-01-01

    The properties of the interface in a phase-separated solution of polymers with different degrees of polymerization and Kuhn segment lengths are calculated. The starting point is the planar interface, the profile of which is calculated in the so-called “blob model”, which incorporates the solvent in

  2. Skin formation and bubble growth during drying process of polymer solution.

    Science.gov (United States)

    Arai, S; Doi, M

    2012-07-01

    When a polymer solution with volatile solvent is dried, skins are often formed at the surface of the solution. It has been observed that after the skin is formed, bubbles often appear in the solution. We conducted experiments to clarify the relation between the skin formation and the bubble formation. We measured the time dependence of the thickness of the skin layer, the size of the bubbles, and the pressure in the solution. From our experiments, we concluded that i) the gas in the bubble is a mixture of solvent vapor and air dissolved in the solution, ii) the bubble nucleation is assisted by the pressure decrease in the solution covered by the skin layer, and iii) the growth of the bubbles is diffusion limited, mainly limited by the diffusion of air molecules dissolved in the solution.

  3. Phase behavior and second osmotic virial coefficient for competitive polymer solvation in mixed solvent solutions.

    Science.gov (United States)

    Dudowicz, Jacek; Freed, Karl F; Douglas, Jack F

    2015-11-21

    We apply our recently developed generalized Flory-Huggins (FH) type theory for the competitive solvation of polymers by two mixed solvents to explain general trends in the variation of phase boundaries and solvent quality (quantified by the second osmotic virial coefficient B2) with solvent composition. The complexity of the theoretically predicted miscibility patterns for these ternary mixtures arises from the competitive association between the polymer and the solvents and from the interplay of these associative interactions with the weak van der Waals interactions between all components of the mixture. The main focus here lies in determining the influence of the free energy parameters for polymer-solvent association (solvation) and the effective FH interaction parameters {χαβ} (driving phase separation) on the phase boundaries (specifically the spinodals), the second osmotic virial coefficient B2, and the relation between the positions of the spinodal curves and the theta temperatures at which B2 vanishes. Our classification of the predicted miscibility patterns is relevant to numerous applications of ternary polymer solutions in industrial formulations and the use of mixed solvent systems for polymer characterization, such as chromatographic separation where mixed solvents are commonly employed. A favorable comparison of B2 with experimental data for poly(methyl methacrylate)/acetonitrile/methanol (or 1-propanol) solutions only partially supports the validity of our theoretical predictions due to the lack of enough experimental data and the neglect of the self and mutual association of the solvents.

  4. Current applications of foams formed from mixed surfactant-polymer solutions.

    Science.gov (United States)

    Bureiko, Andrei; Trybala, Anna; Kovalchuk, Nina; Starov, Victor

    2015-08-01

    Foams cannot be generated without the use of special foaming agents, as pure liquids do not foam. The most common foaming agents are surfactants, however often for foam stability one active agent is not enough, it is necessary to add other component to increase foam lifetime. Foams on everyday use are mostly made from mixture of different components. Properly chosen combinations of two active ingredients lead to a faster foam formation and increased foam stability. During the last decade polymers (mainly polyelectrolytes and proteins) have become frequently used additives to foaming solutions. Mixtures of surfactants and polymers often demonstrate different foaming properties in comparison to surfactant only or polymer only solutions. The nature of surfactant-polymer interactions is complicated and prediction of resulting foaming properties of such formulations is not straightforward. Properties and foaming of surfactant-polymer mixtures are discussed as well as current applications of foams and foaming agents as foams are widely used in cosmetics, pharmaceutics, medicine and the food industry.

  5. Removal of Parabens from Aqueous Solution Using β-Cyclodextrin Cross-Linked Polymer

    Directory of Open Access Journals (Sweden)

    Mhd Radzi Bin Abas

    2010-09-01

    Full Text Available The removal of four parabens, methyl-, ethyl-, propyl-, and benzyl-paraben, by β-cyclodextrin (β-CD polymer from aqueous solution was studied. Different β-CD polymers were prepared by using two cross-linkers, i.e., hexamethylene diisocyanate (HMDI and toluene-2,6-diisocyanate (TDI, with various molar ratios of cross-linker. β-CD-HMDI polymer with molar ratio of 1:7 and β-CD-TDI polymer with ratio 1:4 gave the highest adsorption of parabens among the β-CD-HMDI and β-CD-TDI series, and were subsequently used for further studies. The adsorption capacity of β-CD-HMDI is 0.0305, 0.0376, 0.1854 and 0.3026 mmol/g for methyl-, ethyl-, propyl-, and benzyl-paraben, respectively. β-CD-TDI have higher adsorption capacities compared with β-CD-HMDI, the adsorption capacity are 0.1019, 0.1286, 0.2551, and 0.3699 mmol/g methyl-, ethyl-, propyl-, and benzyl-paraben respectively. The parameters studied were adsorption capacity, water retention, and reusability. Role of both cross-linker in adsorption, hydrophobicity of polymers, and adsorption capacity of different parabens were compared and discussed. All experiments were conducted in batch adsorption technique. These polymers were applied to real samples and showed positive results.

  6. The relevance of molecular weight in the design of amorphous biodegradable polymers with optimized shape memory effect.

    Science.gov (United States)

    Petisco-Ferrero, S; Fernández, J; Fernández San Martín, M M; Santamaría Ibarburu, P A; Sarasua Oiz, J R

    2016-08-01

    The shape memory effect (SME) has long been the focus of interest of many research groups that have studied many facets of it, yet to the authors' knowledge some molecular parameters, such as the molecular weight, have been skipped. Thus, the aim of this work is to offer further insight into the shape memory effect, by disclosing the importance of the molecular weight as the relevant parameter dictating the extension of the rubbery plateau, which is the scenario where the entropic network of entanglements manifests. For this, a set of biodegradable amorphous poly(rac-d,l)lactides have been synthesised by ring opening copolymerization of a racemic mixture of L-and D-lactide. The analysis performed on the synthesised enantiomeric copolylactides includes the determination of molecular weights by means of Gel Permeation Chromatography (GPC), thermal properties by Differential Scanning Calorimetry (DSC), dynamic mechanical analysis (DMA) and rheological tests using small amplitude oscillatory flow analysis. Shape memory properties have been determined by means of specific cyclic thermo-mechanic test protocol. It has been shown that the recovery capacity of amorphous PDLLA is linked to the disentanglement time through an exponential law. PMID:27136090

  7. The relevance of molecular weight in the design of amorphous biodegradable polymers with optimized shape memory effect.

    Science.gov (United States)

    Petisco-Ferrero, S; Fernández, J; Fernández San Martín, M M; Santamaría Ibarburu, P A; Sarasua Oiz, J R

    2016-08-01

    The shape memory effect (SME) has long been the focus of interest of many research groups that have studied many facets of it, yet to the authors' knowledge some molecular parameters, such as the molecular weight, have been skipped. Thus, the aim of this work is to offer further insight into the shape memory effect, by disclosing the importance of the molecular weight as the relevant parameter dictating the extension of the rubbery plateau, which is the scenario where the entropic network of entanglements manifests. For this, a set of biodegradable amorphous poly(rac-d,l)lactides have been synthesised by ring opening copolymerization of a racemic mixture of L-and D-lactide. The analysis performed on the synthesised enantiomeric copolylactides includes the determination of molecular weights by means of Gel Permeation Chromatography (GPC), thermal properties by Differential Scanning Calorimetry (DSC), dynamic mechanical analysis (DMA) and rheological tests using small amplitude oscillatory flow analysis. Shape memory properties have been determined by means of specific cyclic thermo-mechanic test protocol. It has been shown that the recovery capacity of amorphous PDLLA is linked to the disentanglement time through an exponential law.

  8. Solution Behavior of Modified Polyethylenimine (PEI) Polymers by Light Scattering Investigations

    Energy Technology Data Exchange (ETDEWEB)

    Sonny A. Ekhorutomwen; Samuel P. Sawan; Barbara F. Smith; Thomas W. Robison; Kennard V. Wilson

    2004-03-18

    The eight average molecular weights, as well as other characteristics such as the second virial coefficients and root-mean-square (RMS) radii of gyration of poly (ethyleneimine) (PEI) and various derivatives, have been determined in solution light scattering studies. The solution dynamics of PEI and carboxylated and phosphorylated derivatives were studied a pH of 3.3, 7.0 and 10.0. Measurements were made in freshly distilled and de-ionized water as well as in 0.1 M, 1 M and 5-M solutions of sodium chloride in water. Molecular weights were calculated from Berry plots. The purified polymer, PEI-1, gave a molecular weight of 39,600 g/mol., while the same polymer, which was not purified, PEI-2, has MW of 43,100 g/mol.

  9. Diffusion in Evaporating Polymer Solutions: A Model in the Dissipative Formalism of Nonequilibrium Thermodynamics

    CERN Document Server

    Es-haghi, Siamak Shams

    2012-01-01

    In this paper, diffusion in polymer solutions undergoing evaporation of solvent is modeled as a coupled heat and mass transfer problem with moving boundary condition within the framework of nonequilibrium thermodynamics. The proposed governing equations derived from the fundamental equation of classical thermodynamics using the local equilibrium hypothesis display more complex connection between heat and non-convective mass fluxes than what has been presented in the previous research works. Numerical computations, performed using an explicit finite difference scheme, indicate that the model is able to capture the effect of thermal diffusion in polymer solutions. This effect manifests itself as an increase in local concentration of solvent near warm substrates during solution casting process.

  10. Preparation of Laminin-apatite-polymer Composites Using Metastable Calcium Phosphate Solutions

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    A synthetic polymer with a laminin-apatite composite layer on its surface would be useful as a percutaneous device. The preparation of such a composite was attempted in the present study using poly ( ethylene terephthalate ) (PET) and polyethylene ( PE ) as the synthetic polymer. PET and PE plates and those pretreated with an oxygen plasma were alternately dipped in calcium and phosphate ion solutions, and then immersed in a metastable ealcium phosphate solution supplemented with laminin ( LCP solution ). The PET and PE plates pretreated with an oxygen plasma formed a uniform and continuous layer of a laminin- apatite composite on their surfaces. In contrast, the PET and PE plates that had not been pretreated with an oxygen plasma did not form a continuous layer of a laminin-apatite composite on their surfaces. The hydrophilic functional groups on the PET and PE surfaces introduced by the plasma treatment were responsible for the successful laminin-apatite composite coating.

  11. Hydrophilic molecularly imprinted polymers for bisphenol A prepared in aqueous solution

    International Nuclear Information System (INIS)

    We have prepared a hydrophilic molecularly imprinted polymer (MIP) for the hydrophobic compound bisphenol A (BPA) in aqueous solution using 3-acrylamido-N,N,N-trimethylpropan-1-aminium chloride (AMTC) as the functional monomer. Under redox-polymerization conditions, BPA forms an ion-pair with AMTC, which was confirmed by 1H-NMR titration. The imprinting effect in aqueous solution was evaluated by comparison of this material with the corresponding non-imprinted polymer (NIP) and with a control polymer (CP) bearing no AMTC. The MIP showed the highest activity among the three polymers, and the imprinting factors as calculated from the amount of BPA bound to the MIP divided by the amounts bound to NIP and CP, respectively, are 1.8 and 6.0. The MIP was selective for BPA in aqueous solution, while structurally related compounds are not recognized. Such a selectivity for a hydrophobic compound is rarely observed in aqueous medium because non-specific binding of BPA inevitably leads to hydrophobic interaction. (author)

  12. AN UNSTEADY SEEPAGE FLOW MODEL OF VISCO-ELASTIC POLYMER SOLUTION

    Institute of Scientific and Technical Information of China (English)

    YIN Hong-jun; FU Chun-quan; LV Yan-ping

    2004-01-01

    With the consideration of the visco-elasticity,the adsorption effect and the variation of rheological parameters, a seepage flow model of visco-elastic polymer solutions was established. The model was numerically treated with the finite difference method. Then curves of Bottom Hole Pressure (BHP) and formation pressure were drawn. The influences of the relaxation time, the injection rate, the permeability reduction co efficient, the consistency coefficient and the power-law exponent of the injected fluid on pressure performance were analyzed. This study shows that it is necessary to consider the visco-elasticity of non-Newtonian fluid in analyzing of pressure performance in the polymer flooding.

  13. Solution-processed cathode interfacial layer materials for high-efficiency polymer solar cells

    Directory of Open Access Journals (Sweden)

    Biao Xiao

    2015-09-01

    Full Text Available Polymer solar cells (PSCs are a new type of renewable energy source currently being extensively investigated due to perceived advantages; such as being lightweight, low-cost and because of the unlimited materials resource. The power conversion efficiency of state-of-the-art PSCs has increased dramatically in the past few years, obtained mainly through the development of new electron donor polymers, acceptors, and novel device structures through the use of various electrode interfacial materials. In this short review, recent progress in solution-processed cathode interfacial layers that could significantly improve device performances is summarized and highlighted.

  14. Quasi-Immiscible Spreading of Aqueous Surfactant Solutions on Entangled Aqueous Polymer Solution Subphases

    OpenAIRE

    Sharma, Ramankur; Corcoran, Timothy E.; Garoff, Stephen; Przybycien, Todd M.; Swanson, Ellen R.; Tilton, Robert D.

    2013-01-01

    Motivated by the possibility of enhancing aerosol drug delivery to mucus-obstructed lungs, the spreading of a drop of aqueous surfactant solution on a physically entangled aqueous poly(acrylamide) solution subphase that mimics lung airway surface liquid was investigated. Sodium dodecyl sulfate was used as the surfactant. To visualize spreading of the drop and mimic the inclusion of a drug substance, fluorescein, a hydrophilic and non-surface active dye, was added to the surfactant solution. T...

  15. Henry constants in polymer solutions with the van der Waals equation of state

    DEFF Research Database (Denmark)

    Bithas, Sotiris; Kalospiros, Nikolaos; Kontogeorgis, Georgios;

    1996-01-01

    The simple der Waals equation of state, as extended to polymer systems, is applied to the correlation and prediction of Henry constants in polymer solutions comprising five polymers and many nonpolar and polar solvents, including supercritical gases. The correlation achieved with one adjustable...... parameter is satisfactory, with typical errors within the experimental uncertainty and comparable to those with the more complex Perturbed Hard Chain Theory-based equations of state with the same number of adjustable parameters. A predictive scheme for calculating Henry constants is also presented, which is...... a corresponding-states correlation for a dimensionless Henry constant defined based on the van der Waals equation of state. Satisfactory results-often close to the ones from the one-parameter correlation-are obtained for all systems investigated in this work. Compared with literature models that...

  16. Sodium chloride methanol solution spin-coating process for bulk-heterojunction polymer solar cells

    Science.gov (United States)

    Liu, Tong-Fang; Hu, Yu-Feng; Deng, Zhen-Bo; Li, Xiong; Zhu, Li-Jie; Wang, Yue; Lv, Long-Feng; Wang, Tie-Ning; Lou, Zhi-Dong; Hou, Yan-Bing; Teng, Feng

    2016-08-01

    The sodium chloride methanol solution process is conducted on the conventional poly(3-hexylthiophene) (P3HT)/[6,6]-phenyl-C61-butyric acid methyl ester (PC61BM) polymer bulk heterojunction solar cells. The device exhibits a power conversion efficiency of up to 3.36%, 18% higher than that of the device without the solution process. The measurements of the active layer by x-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), and ultraviolet photoelectron spectroscopy (UPS) indicate a slight phase separation in the vertical direction and a sodium chloride distributed island-like interface between the active layer and the cathode. The capacitance–voltage (C–V) and impedance spectroscopy measurements prove that the sodium chloride methanol process can reduce the electron injection barrier and improve the interfacial contact of polymer solar cells. Therefore, this one-step solution process not only optimizes the phase separation in the active layers but also forms a cathode buffer layer, which can enhance the generation, transport, and collection of photogenerated charge carriers in the device simultaneously. This work indicates that the inexpensive and non-toxic sodium chloride methanol solution process is an efficient one-step method for the low cost manufacturing of polymer solar cells. Project supported by the Fundamental Research Funds for the Central Universities, China (Grant No. 2014JBZ009) and the National Natural Science Foundation of China (Grant Nos. 61274063, 61377028, 61475014, and 61475017).

  17. Sodium chloride methanol solution spin-coating process for bulk-heterojunction polymer solar cells

    Science.gov (United States)

    Liu, Tong-Fang; Hu, Yu-Feng; Deng, Zhen-Bo; Li, Xiong; Zhu, Li-Jie; Wang, Yue; Lv, Long-Feng; Wang, Tie-Ning; Lou, Zhi-Dong; Hou, Yan-Bing; Teng, Feng

    2016-08-01

    The sodium chloride methanol solution process is conducted on the conventional poly(3-hexylthiophene) (P3HT)/[6,6]-phenyl-C61-butyric acid methyl ester (PC61BM) polymer bulk heterojunction solar cells. The device exhibits a power conversion efficiency of up to 3.36%, 18% higher than that of the device without the solution process. The measurements of the active layer by x-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), and ultraviolet photoelectron spectroscopy (UPS) indicate a slight phase separation in the vertical direction and a sodium chloride distributed island-like interface between the active layer and the cathode. The capacitance-voltage (C-V) and impedance spectroscopy measurements prove that the sodium chloride methanol process can reduce the electron injection barrier and improve the interfacial contact of polymer solar cells. Therefore, this one-step solution process not only optimizes the phase separation in the active layers but also forms a cathode buffer layer, which can enhance the generation, transport, and collection of photogenerated charge carriers in the device simultaneously. This work indicates that the inexpensive and non-toxic sodium chloride methanol solution process is an efficient one-step method for the low cost manufacturing of polymer solar cells. Project supported by the Fundamental Research Funds for the Central Universities, China (Grant No. 2014JBZ009) and the National Natural Science Foundation of China (Grant Nos. 61274063, 61377028, 61475014, and 61475017).

  18. Bubble fractionation of enantiomers from solution using molecularly imprinted polymers as collectors.

    Science.gov (United States)

    Armstrong, D W; Schneiderheinze, J M; Hwang, Y S; Sellergren, B

    1998-09-01

    Adsorptive bubble separation methods have been used to enrich components from both heterogeneous and homogeneous solutions. These methods are particularly effective for processing large solution volumes at low cost. Previous work demonstrated that chiral, surface-active collectors could be used to enrich enantiomers from homogeneous solution in a foam fractionation process. In a significant extension of this work, the use of highly selective molecularly imprinted polymers (MIPs) and heterogeneous solutions for the bubble flotation of enantiomers was evaluated. The high selectivity and ease of recycling of the MIP make this a potentially powerful approach for process-scale separations from large-volume bulk solutions. New MIPs were produced with low swelling properties which allowed them to retain enantioselectivity after numerous recyclings. PMID:9737214

  19. Coarse-graining polymer solutions: A critical appraisal of single- and multi-site models

    Science.gov (United States)

    D'Adamo, G.; Menichetti, R.; Pelissetto, A.; Pierleoni, C.

    2015-09-01

    We critically discuss and review the general ideas behind single- and multi-site coarse-grained (CG) models as applied to macromolecular solutions in the dilute and semi-dilute regime. We first consider single-site models with zero-density and density-dependent pair potentials. We highlight advantages and limitations of each option in reproducing the thermodynamic behavior and the large-scale structure of the underlying reference model. As a case study we consider solutions of linear homopolymers in a solvent of variable quality. Secondly, we extend the discussion to multi-component systems presenting, as a test case, results for mixtures of colloids and polymers. Specifically, we found the CG model with zero-density potentials to be unable to predict fluid-fluid demixing in a reasonable range of densities for mixtures of colloids and polymers of equal size. For larger colloids, the polymer volume fractions at which phase separation occurs are largely overestimated. CG models with density-dependent potentials are somewhat less accurate than models with zero-density potentials in reproducing the thermodynamics of the system and, although they present a phase separation, they significantly underestimate the polymer volume fractions along the binodal. Finally, we discuss a general multi-site strategy, which is thermodynamically consistent and fully transferable with the number of sites, and that allows us to overcome most of the limitations discussed for single-site models.

  20. Multiresolution Modeling of Polymer Solutions: Wavelet-Based Coarse-Graining and Reverse-Mapping

    Science.gov (United States)

    Ismail, Ahmed; Adorf, Carl Simon; Agarwal, Animesh; Iacovella, Christopher R.

    2014-03-01

    Unlike multiscale methods, which encompass multiple simulation techniques, multiresolution models uses one modeling technique at different length and time scales. We present a combined coarse-graining and reverse-mapping framework for modeling of semidilute polymer solutions, based on the wavelet-accelerated Monte Carlo (WAMC) method, which forms a hierarchy of resolutions to model polymers at length scales that cannot be reached via atomistic or even ``standard'' coarse-grained simulations. A universal scaling function is obtained so that potentials do not need to be recomputed as the scale of the system is changed. We show that coarse-grained polymer solutions can reproduce results obtained from the simulations of the more detailed atomistic system to a reasonable degree of accuracy. Reverse mapping proceeds similarly: using probability distributions obtained from coarse-graining the bond lengths, angles, torsions, and the non-bonded potentials, we can reconstruct a more detailed polymer consistent with both geometric constraints and energetic considerations. Using a ``convergence factor'' within a Monte Carlo-based energy optimization scheme, we can successfully reconstruct entire atomistic configurations from coarse-grained descriptions.

  1. Solute induced relaxation in glassy polymers: Experimental measurements and nonequilibrium thermodynamic model

    Energy Technology Data Exchange (ETDEWEB)

    Minelli, Matteo; Doghieri, Ferruccio [Dipartimento di Ingegneria Civile, Chimica, Ambientale e dei Materiali (DICAM), Centro Interdipartimentale per la Ricerca Industriale - Meccanica Avanzata e Materiali (CIRI-MAM), Alma Mater Studiorum - Università di Bologna, via Terracini 28 - (Italy)

    2014-05-15

    Data for kinetics of mass uptake from vapor sorption experiments in thin glassy polymer samples are here interpreted in terms of relaxation times for volume dilation. To this result, both models from non-equilibrium thermodynamics and from mechanics of volume relaxation contribute. Different kind of sorption experiments have been considered in order to facilitate the direct comparison between kinetics of solute induced volume dilation and corresponding data from process driven by pressure or temperature jumps.

  2. The Kinetic Theory of Dilute Solutions of Flexible Polymers: Hydrodynamic Interaction

    OpenAIRE

    Prakash, J. Ravi

    1998-01-01

    The development of a coherent conceptual basis for the treatment of non-linear microscopic phenomena, such as, hydrodynamic interaction, finite extensibility, excluded volume and internal viscosity, in molecular theories of dilute polymer solutions, is discussed. In particular, recent advances in the treatment of hydrodynamic interaction are reviewed, and the successive refinements which have ultimately led to the prediction of universal viscometric functions in theta solvents are highlighted.

  3. Emerging trends in the stabilization of amorphous drugs

    DEFF Research Database (Denmark)

    Laitinen, Riikka; Löbmann, Korbinian; Strachan, Clare J.;

    2013-01-01

    water-soluble drugs can be increased by the formation of stabilized amorphous forms. Currently, formulation as solid polymer dispersions is the preferred method to enhance drug dissolution and to stabilize the amorphous form of a drug. The purpose of this review is to highlight emerging alternative...... methods to amorphous polymer dispersions for stabilizing the amorphous form of drugs. First, an overview of the properties and stabilization mechanisms of amorphous forms is provided. Subsequently, formulation approaches such as the preparation of co-amorphous small-molecule mixtures and the use...... of mesoporous silicon and silica-based carriers are presented as potential means to increase the stability of amorphous pharmaceuticals....

  4. Dynamics of associative polymer solutions: Capillary break-up, jetting and rheology

    Science.gov (United States)

    Sharma, Vivek; Serdy, James G.; Threfall-Holmes, Phil; McKinley, Gareth H.

    2011-11-01

    Associative polymer solutions are used in extensively in the formulations for water-borne paints, food, inks, cosmetics, etc to control the rheology and processing behavior of multi-component dispersions. These complex dispersions are processed and used over a broad range of shear and extensional rates. Furthermore, the commercially relevant formulations use dilute solutions of associative polymers, which have low viscosity and short relaxation times, and hence their non-Newtonian response is not apparent in a conventional rheometer. In this talk, we explore several methods for systematically exploring the linear and nonlinear solution rheology of associative polymer dispersions, including: fractional model description of physical gelation, high frequency oscillatory tests at frequencies up to 10 kHz, microfluidic shear rheometry at deformation rates up to 1000000 /s and the influence of transient extensional rheology in the jet breakup. We show that high deformation rates can be obtained in jetting flows, and the growth and evolution of instability during jetting and break-up of these viscoelastic fluids shows the influence of both elasticity and extensibility.

  5. Theory of DNA electrophoresis in physical gels and entangled polymer solutions

    Science.gov (United States)

    Duke, Thomas; Viovy, Jean Louis

    1994-03-01

    A scaling theory is presented for the electrophoretic mobility of DNA in sieving media that form dynamically evolving meshworks, such as physical gels and solutions of entangled polymers. In such media, the topological constraints on the DNA's motion are perpetually changing as cross links break and rejoin or as the polymers diffuse. It is shown that if the rate of constraint release falls within a certain range (which depends on the field strength), fractionation can be extended to higher molecular weights than would be feasible using a permanent gel of equivalent pore size. This improvement is a consequence of the disruptive effect that constraint release has on the mechanism of molecular orientation. Numerical simulations support the predictions of the theory. The possibility of realizing such a system in practice, with the aim of improving on current electrophoresis methods, is commented upon. It is suggested that semidilute polymer solutions may be a versatile medium for the rapid separation of long single-stranded DNA molecules, and the particular quality of solution required is identified.

  6. Solution-based single molecule imaging of surface-immobilized conjugated polymers.

    Science.gov (United States)

    Dalgarno, Paul A; Traina, Christopher A; Penedo, J Carlos; Bazan, Guillermo C; Samuel, Ifor D W

    2013-05-15

    The photophysical behavior of conjugated polymers used in modern optoelectronic devices is strongly influenced by their structural dynamics and conformational heterogeneity, both of which are dependent on solvent properties. Single molecule studies of these polymer systems embedded in a host matrix have proven to be very powerful to investigate the fundamental fluorescent properties. However, such studies lack the possibility of examining the relationship between conformational dynamics and photophysical response in solution, which is the phase from which films for devices are deposited. By developing a synthetic strategy to incorporate a biotin moiety as a surface attachment point at one end of a polyalkylthiophene, we immobilize it, enabling us to make the first single molecule fluorescence measurements of conjugated polymers for long periods of time in solution. We identify fluctuation patterns in the fluorescence signal that can be rationalized in terms of photobleaching and stochastic transitions to reversible dark states. Moreover, by using the advantages of solution-based imaging, we demonstrate that the addition of oxygen scavengers improves optical stability by significantly decreasing the photobleaching rates.

  7. The effect of heat developed during high strain rate deformation on the constitutive modeling of amorphous polymers

    Science.gov (United States)

    Safari, Keivan H.; Zamani, Jamal; Guedes, Rui M.; Ferreira, Fernando J.

    2016-02-01

    An adiabatic constitutive model is proposed for large strain deformation of polycarbonate (PC) at high strain rates. When the strain rate is sufficiently high such that the heat generated does not have time to transfer to the surroundings, temperature of material rises. The high strain rate deformation behavior of polymers is significantly affected by temperature-dependent constants and thermal softening. Based on the isothermal model which first was introduced by Mulliken and Boyce et al. (Int. J. Solids Struct. 43:1331-1356, 2006), an adiabatic model is proposed to predict the yield and post-yield behavior of glassy polymers at high strain rates. When calculating the heat generated and the temperature changes during the step by step simulation of the deformation, temperature-dependent elastic constants are incorporated to the constitutive equations. Moreover, better prediction of softening phenomena is achieved by the new definition for softening parameters of the proposed model. The constitutive model has been implemented numerically into a commercial finite element code through a user material subroutine (VUMAT). The experimental results, obtained using a split Hopkinson pressure bar, are supported by dynamic mechanical thermal analysis (DMTA) and Decompose/Shift/Reconstruct (DSR) method. Comparison of adiabatic model predictions with experimental data demonstrates the ability of the model to capture the characteristic features of stress-strain curve of the material at very high strain rates.

  8. Photovoltaic manufacturing technology monolithic amorphous silicon modules on continuous polymer substrates: Final technical report, July 5, 1995--December 31, 1999

    Energy Technology Data Exchange (ETDEWEB)

    Jeffrey, F.

    2000-03-28

    Iowa Thin Film Technologies is completing a three-phase program that has increased throughput and decreased costs in nearly all aspects of its thin-film photovoltaic manufacturing process. The overall manufacturing costs have been reduced by 61 percent through implementation of the improvements developed under this program. Development of the ability to use a 1-mil substrate, rather than the standard 2-mil substrate, results in a 50 percent cost-saving for this material. Process development on a single-pass amorphous silicon deposition system has resulted in a 37 percent throughput improvement. A wide range of process and machine improvements have been implemented on the transparent conducting oxide deposition system. These include detailed parameter optimization of deposition temperatures, process gas flows, carrier gas flows, and web speeds. An overall process throughput improvement of 275 percent was achieved based on this work. The new alignment technique was developed for the laser scriber and printer systems, which improved registration accuracy from 100 microns to 10 microns. The new technique also reduced alignment time for these registration systems significantly. This resulted in a throughput increase of 75 percent on the scriber and 600 percent on the printer. Automated techniques were designed and implemented for the module assembly processes. These include automated busbar attachment, roll-based lamination, and automated die cutting of finished modules. These processes were previously done by hand labor. Throughput improvements ranged from 200 percent to 1200 percent, relative to hand labor rates. A wide range of potential encapsulation materials were evaluated for suitability in a roll lamination process and for cost-effectiveness. A combination material was found that has a cost that is only 10 percent of the standard EVA/Tefzel cost and is suitable for medium-lifetime applications. The 20-year lifetime applications still require the more expensive

  9. Continuum theory of critical phenomena in polymer solutions: Formalism and mean field approximation

    Science.gov (United States)

    Goldstein, Raymond E.; Cherayil, Binny J.

    1989-06-01

    A theoretical description of the critical point of a polymer solution is formulated directly from the Edwards continuum model of polymers with two- and three-body excluded-volume interactions. A Hubbard-Stratonovich transformation analogous to that used in recent work on the liquid-vapor critical point of simple fluids is used to recast the grand partition function of the polymer solution as a functional integral over continuous fields. The resulting Landau-Ginzburg-Wilson (LGW) Hamiltonian is of the form of a generalized nonsymmetric n=1 component vector model, with operators directly related to certain connected correlation functions of a reference system. The latter is taken to be an ensemble of Gaussian chains with three-body excluded-volume repulsions, and the operators are computed in three dimensions by means of a perturbation theory that is rapidly convergent for long chains. A mean field theory of the functional integral yields a description of the critical point in which the power-law variations of the critical polymer volume fraction φc, critical temperature Tc, and critical amplitudes on polymerization index N are essentially identical to those found in the Flory-Huggins theory. In particular, we find φc ˜N-1/2, Tθ-Tc˜N-1/2 with (Tθ the theta temperature), and that the composition difference between coexisting phases varies with reduced temperature t as N-1/4t1/2. The mean field theory of the interfacial tension σ between coexisting phases near the critical point, developed by considering the LGW Hamiltonian for a weakly inhomogeneous solution, yields σ˜N-1/4t3/2, with the correlation length diverging as ξ˜N1/4t-1/2 within the same approximation, consistent with the mean field limit of de Gennes' scaling form. Generalizations to polydisperse systems are discussed.

  10. Entanglements in Marginal Solutions: A Means of Tuning Pre-Aggregation of Conjugated Polymers with Positive Implications for Charge Transport

    KAUST Repository

    Hu, Hanlin

    2015-06-17

    The solution-processing of conjugated polymers, just like commodity polymers, is subject to solvent and molecular weight-dependent solubility, interactions and chain entanglements within the polymer, all of which can influence the crystallization and microstructure development in semi-crystalline polymers and consequently affect charge transport and optoelectronic properties. Disentanglement of polymer chains in marginal solvents was reported to work via ultrasonication, facilitating the formation of photophysically ordered polymer aggregates. In this contribution, we explore how a wide range of technologically relevant solvents and formulations commonly used in organic electronics influence chain entanglement and the aggregation behaviour of P3HT using a combination of rheological and spectrophotometric measurements. The specific viscosity of the solution offers an excellent indication of the degree of entanglements in the solution, which is found to be related to the solubility of P3HT in a given solvent. Moreover, deliberately disentangling the solution in the presence of solvophobic driving forces, leads consistently to formation of photophysically visible aggregates which is indicative of local and perhaps long range order in the solute. We show for a broad range of solvents and molecular weights that disentanglement ultimately leads to significant ordering of the polymer in the solid state and a commensurate increase in charge transport properties. In doing so we demonstrate a remarkable ability to tune the microstructure which has important implications for transport properties. We discuss its potential implications in the context of organic photovoltaics.

  11. Carrier Transport Enhancement in Conjugated Polymers through Interfacial Self-Assembly of Solution-State Aggregates

    KAUST Repository

    Zhao, Kui

    2016-07-13

    We demonstrate that local and long range orders of poly(3-hexylthiophene) (P3HT) semicrystalline films can be synergistically improved by combining chemical functionalization of the dielectric surface with solution-state disentanglement and pre-aggregation of P3HT in a theta solvent, leading to a very significant enhancement of the field effect carrier mobility. The pre-aggregation and surface functionalization effects combine to enhance the carrier mobility nearly 100-fold as compared with standard film preparation by spin-coating, and nearly 10-fold increase over the benefits of pre-aggregation alone. In situ quartz crystal microbalance with dissipation (QCM-D) experiments reveal enhanced deposition of pre-aggregates on surfaces modified with an alkyl-terminated self-assembled monolayer (SAM) in comparison to un-aggregated polymer chains. Additional investigations reveal the combined pre-aggregation and surface functionalization significantly enhances local order of the conjugated polymer through planarization and extension of the conjugated backbone of the polymer which clearly translate to significant improvements of carrier transport at the semiconductor-dielectric interface in organic thin film transistors. This study points to opportunities in combining complementary routes, such as well-known pre-aggregation with substrate chemical functionalization, to enhance the polymer self-assembly and improve its interfacial order with benefits for transport properties.

  12. Polymer Diffusion in Microgels with Upper Critical Solution Temperature as Studied by Incoherent Neutron Scattering

    Science.gov (United States)

    Serrano Ruiz, D.; Alonso Cristobal, P.; Laurenti, M.; Rubio Retama, J.; Lopez-Cabarcos, E.

    2014-11-01

    Poly(acrylic-acrylamide) interpenetrated microgels present continuous phase transition from collapsed to swollen state around 42 °C. The upper critical solution temperature (UCST) of this polymeric system has prompted scientists to consider them candidates for its use in biological applications such as smart drug delivery devices since the swelling of the polymer matrix would permit the release of the drug previously entrapped within the microgels. In these systems the increment of the temperature can break inter-chain interactions, mainly hydrogen bonds, which reduce the elastic tension that stabilizes the microgel, favoring the polymer swelling. The microgel molecular dynamics at the UCST can be investigated using Incoherent Elastic (IENS) and Quasielastic Neutron Scattering (IQNS). From the analysis of the IQNS data we obtained that the diffusion coefficient of the polymer segments depends on the composition of the interpenetrated matrix. Thus, at room temperature, microgels with a polymer composition of 50% of each component present a diffusion coefficient 1·10-12 m2/s, while for the microgels formed by only one component the diffusion coefficient is 5.10-10 m2/s. This huge difference in the diffusion coefficient is conspicuously reduced when temperature increases, and we attribute this effect to the breaking of the inter-chain interaction. By means of FTIR-ATR analysis we have identified the groups that are involved in this phenomenon and we associate the breaking of the polyacrylic-polyacrylamide interactions with the swelling of the microgels.

  13. The application of polymer inclusive membranes for removal of heavy metal ions from waste solutions

    Directory of Open Access Journals (Sweden)

    B. Gajda

    2012-12-01

    Full Text Available Purpose: The aim of the conducted studies was to determine the possibility of selective separation and precipitation of metal ions from polimetalic solution containing nickel(II, cobalt(II, cadmium(II and zinc(II cations using polymer inclusive membranes. 1-decylimidazole was used in membrane as a carrier of ions. The influence of chloride anions concentration on the process has also been investigated.Design/methodology/approach: Polymer inclusive membranes (PIM containing cellulose acetate as a matrix, orto-nitrophenyl octyl ether (ONPOE as a plasticizer and 1-decylimidazole as a carrier were used in investigations. The membrane processes were carried out in a membrane module for 24 hours.Findings: The results obtained point out a significant influence of chloride anions concentration on separation process of certain metal ions. It was observed that zinc(II ions are isolated most effectively from the solution containing 2M of chloride anions. About 88% of Zn(II, 5.5% of Co(II, 6.5% of Cd(II and below 1% of Ni(II were separated from such a solution.Research limitations/implications: The obtained results show that it is possibility of the selective extraction of heavy metal ions from polymetallic chloride solutions in membrane processes. The aqueous solution containing 2M of chloride ions was used in the investigation.Practical implications: The results show that Zn(II can be effectively recovered from solutions containing Co(II, Cd(II and Ni(II. This process would allow the utilization of waste solutions containing the heavy metal ions. The results of the study presented in the paper can be used in the utilization process of the spent batteries and accumulators.Originality/value: The innovative issue shown in this paper concerns the usage of 1-decylimidazole in selective separation of nickel(II, cobalt(II, cadmium(II and zinc(II ions in membrane process using PIM.

  14. Recent Developments in Fully Fluctuating Field-Theoretic Simulations of Polymer Melts and Solutions.

    Science.gov (United States)

    Delaney, Kris T; Fredrickson, Glenn H

    2016-08-11

    We review the latest developments in computational methods for direct simulation of fully fluctuating field theories of polymeric assemblies. In this context, we describe a newly developed theoretical and computational framework for accurately computing fluctuation-corrected phase diagrams of mesostructured polymer systems and report the first such complete phase diagram for a diblock copolymer melt. The method is based on complex Langevin sampling of a UV regularized field-theoretic model, with Helmholtz free energies computed using thermodynamic integration. UV regularization ensures that the free energies do not have an arbitrary reference; they can be compared between incommensurate phases, permitting for the first time the computation of order-order transitions with fluctuation corrections. We further demonstrate that computed free energies are accurate in the disordered phase by comparison to perturbation theory on the one-loop level. Importantly, we note that our method uses no uncontrolled approximations beyond the initial definition of a coarse-grained molecular model for the polymer melt or solution. The method can be applied straightforwardly to melts and solutions containing multiple species with diverse polymer architectures. PMID:27414265

  15. Solution-Processed p-Dopant as Interlayer in Polymer Solar Cells.

    Science.gov (United States)

    Guillain, F; Endres, J; Bourgeois, L; Kahn, A; Vignau, L; Wantz, G

    2016-04-13

    We report here an original approach to dope the semiconducting polymer-metal interface in an inverted bulk-heterojunction (BHJ) organic solar cell. Solution-processed 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4-TCNQ), is deposited on top of a P3HT:PC61BM layer before deposition of the top electrode. Doping of P3HT by F4-TCNQ occurs after thermally induced diffusion at 100 °C of the latter into the BHJ. Diffusion and doping are evidenced by XPS and UV-vis-NIR absorption. XPS highlights the decrease in Fluorine concentration on top of the BHJ after annealing. In the same time, a charge transfer band attributed to doping is observed in the UV-vis-NIR absorption spectrum. Inverted polymer solar cells using solution-processed F4-TCNQ exhibit power conversion efficiency of nearly 3.5% after annealing. This simple and efficient approach, together with the low annealing temperature required to allow diffusion and doping, leads to standard efficiency P3HT:PC61BM polymer solar cells, which are suitable for printing on plastic flexible substrate.

  16. Application of X-ray microtomography for the characterisation of hollow polymer-stabilised spray dried amorphous dispersion particles.

    Science.gov (United States)

    Gamble, John F; Terada, Masako; Holzner, Christian; Lavery, Leah; Nicholson, Sarah J; Timmins, Peter; Tobyn, Mike

    2016-08-20

    The aim of this study was to investigate the capability of X-ray microtomography to obtain information relating to powder characteristics such as wall thickness and solid volume fraction for hollow, polymer-stabilised spray dried dispersion (SDD) particles. SDDs of varying particle properties, with respect to shell wall thickness and degree of particle collapse, were utilised to assess the capability of the approach. The results demonstrate that the approach can provide insight into the morphological characteristics of these hollow particles, and thereby a means to understand/predict the processability and performance characteristics of the bulk material. Quantitative assessments of particle wall thickness, particle/void volume and thereby solid volume fraction were also demonstrated to be achievable. The analysis was also shown to be able to qualitatively assess the impact of the drying rate on the morphological nature of the particle surfaces, thus providing further insight into the final particle shape. The approach demonstrated a practical means to access potentially important particle characteristics for SDD materials which, in addition to the standard bulk powder measurements such as particle size and bulk density, may enable a better understanding of such materials, and their impact on downstream processability and dosage form performance.

  17. Application of X-ray microtomography for the characterisation of hollow polymer-stabilised spray dried amorphous dispersion particles.

    Science.gov (United States)

    Gamble, John F; Terada, Masako; Holzner, Christian; Lavery, Leah; Nicholson, Sarah J; Timmins, Peter; Tobyn, Mike

    2016-08-20

    The aim of this study was to investigate the capability of X-ray microtomography to obtain information relating to powder characteristics such as wall thickness and solid volume fraction for hollow, polymer-stabilised spray dried dispersion (SDD) particles. SDDs of varying particle properties, with respect to shell wall thickness and degree of particle collapse, were utilised to assess the capability of the approach. The results demonstrate that the approach can provide insight into the morphological characteristics of these hollow particles, and thereby a means to understand/predict the processability and performance characteristics of the bulk material. Quantitative assessments of particle wall thickness, particle/void volume and thereby solid volume fraction were also demonstrated to be achievable. The analysis was also shown to be able to qualitatively assess the impact of the drying rate on the morphological nature of the particle surfaces, thus providing further insight into the final particle shape. The approach demonstrated a practical means to access potentially important particle characteristics for SDD materials which, in addition to the standard bulk powder measurements such as particle size and bulk density, may enable a better understanding of such materials, and their impact on downstream processability and dosage form performance. PMID:27262271

  18. Interpolymer reactions of nonionic polymers with polyacrylic acid in aqueous solutions

    Directory of Open Access Journals (Sweden)

    E. Shaikhutdinov

    2012-03-01

    Full Text Available Results of fundamental investigations in the intermacromolecular reactions and interpolymer complexes to be performed by authors with co-workes within last 20 years have been intergrated and summarized in the present review. The raw of fundamental regularities in the effect of factors of different nature (pH, ionic strength, temperature, hydrophilic-hydrophobic balance of macrochain, etc. on the complexation of nonionic polymers with polycarboxylic acids in aqueous solutions has been revealed. Critical pH upon complexation (pHcrit. has been used for evaluation of the complexing ability of the polymers. It was shown tha tdepending on pHcrit. all systems can be divided into 2 groups, namely, weak complexing and strongly complexing. The existence of two critical pH upon complexation responsible for formation typical interpolymer complexes and hydrophilic associations has been demonstrated by the method of luminescence spectroscopy.

  19. A Solution-Doped Polymer Semiconductor:Insulator Blend for Thermoelectrics

    KAUST Repository

    Kiefer, David

    2016-09-01

    Poly(ethylene oxide) is demonstrated to be a suitable matrix polymer for the solution-doped conjugated polymer poly(3-hexylthiophene). The polarity of the insulator combined with carefully chosen processing conditions permits the fabrication of tens of micrometer-thick films that feature a fine distribution of the F4TCNQ dopant:semiconductor complex. Changes in electrical conductivity from 0.1 to 0.3 S cm−1 and Seebeck coefficient from 100 to 60 μV K−1 upon addition of the insulator correlate with an increase in doping efficiency from 20% to 40% for heavily doped ternary blends. An invariant bulk thermal conductivity of about 0.3 W m−1 K−1 gives rise to a thermoelectric Figure of merit ZT ∼ 10−4 that remains unaltered for an insulator content of more than 60 wt%. Free-standing, mechanically robust tapes illustrate the versatility of the developed dopant:semiconductor:insulator ternary blends.

  20. Trehalose amorphization and recrystallization.

    Science.gov (United States)

    Sussich, Fabiana; Cesàro, Attilio

    2008-10-13

    The stability of the amorphous trehalose prepared by using several procedures is presented and discussed. Amorphization is shown to occur by melting (T(m)=215 degrees C) or milling (room temperature) the crystalline anhydrous form TRE-beta. Fast dehydration of the di-hydrate crystalline polymorph, TRE-h, also produces an amorphous phase. Other dehydration procedures of TRE-h, such as microwave treatment, supercritical extraction or gentle heating at low scan rates, give variable fractions of the polymorph TRE-alpha, that undergo amorphization upon melting (at lower temperature, T(m)=130 degrees C). Additional procedures for amorphization, such as freeze-drying, spray-drying or evaporation of trehalose solutions, are discussed. All these procedures are classified depending on the capability of the undercooled liquid phase to undergo cold crystallization upon heating the glassy state at temperatures above the glass transition temperature (T(g)=120 degrees C). The recrystallizable amorphous phase is invariably obtained by the melt of the polymorph TRE-alpha, while other procedures always give an amorphous phase that is unable to crystallize above T(g). The existence of two different categories is analyzed in terms of the transformation paths and the hypothesis that the systems may exhibit different molecular mobilities.

  1. Polymer-clay nanocomposites obtained by solution polymerization of vinyl benzyl triammonium chloride in the presence of advanced functionalized clay

    Indian Academy of Sciences (India)

    Raluca Ianchis; Dan Donescu; Ludmila Otilia Cinteza; Violeta Purcar; Cristina Lavinia Nistor; Critian Petcu; Cristian Andi Nicolae; Raluca Gabor; Silviu Preda

    2014-05-01

    Polymer-clay nanocomposites were synthesized by solution polymerization method using advanced functionalized clay and vinyl benzyl trimethyl ammonium chloride as monomer. First stage consisted in the silylation of a commercial organo-modified clay-Cl 20A using alkoxysilanes with different chain lengths. In the second step, the synthesis and characterization of polymer-nanocomposites were followed. To evaluate the clay functionalization process as well as the final polymer-clay products, thermogravimetric,X-ray diffraction, dynamic light scattering, Fourier transform infrared spectroscopy and three test liquid contact angles analyses were used. The loss of ammonium ions from commercial clay, the grafting degree, the lengths and the nature of alkyl chain influence the dispersion of the advanced modified clay into the polymer solution and, furthermore, the properties of the final polymer-clay nanocomposite film.

  2. Control of molecular rotor rotational frequencies in porous coordination polymers using a solid-solution approach.

    Science.gov (United States)

    Inukai, Munehiro; Fukushima, Tomohiro; Hijikata, Yuh; Ogiwara, Naoki; Horike, Satoshi; Kitagawa, Susumu

    2015-09-30

    Rational design to control the dynamics of molecular rotors in crystalline solids is of interest because it offers advanced materials with precisely tuned functionality. Herein, we describe the control of the rotational frequency of rotors in flexible porous coordination polymers (PCPs) using a solid-solution approach. Solid-solutions of the flexible PCPs [{Zn(5-nitroisophthalate)x(5-methoxyisophthalate)1-x(deuterated 4,4'-bipyridyl)}(DMF·MeOH)]n allow continuous modulation of cell volume by changing the solid-solution ratio x. Variation of the isostructures provides continuous changes in the local environment around the molecular rotors (pyridyl rings of the 4,4'-bipyridyl group), leading to the control of the rotational frequency without the need to vary the temperature. PMID:26368067

  3. A facile solution combustion synthesis of nanosized amorphous iron oxide incorporated in a carbon matrix for use as a high-performance lithium ion battery anode material

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Chunyu, E-mail: chunyu6zhu@gmail.com; Saito, Genki; Akiyama, Tomohiro

    2015-06-05

    Highlights: • Iron oxide–carbon composite was fabricated by facile solution combustion synthesis. • Iron oxide nanoparticles of about 5 nm were uniformly embedded in dense carbon matrix. • The composite exhibited enhanced cyclability and rate capability. • A high capacity of 687 mA h g{sup −1} after 200 cycles at a current rate of 0.5 A g{sup −1} were obtained. - Abstract: An amorphous iron oxide–carbon composite has been fabricated through an effective, inexpensive, and scalable method employing solution combustion synthesis. Amorphous iron oxide nanoparticles with diameters of about 5 nm were synthesized and uniformly embedded in a dense carbon matrix. The synthesized composite exhibits enhanced cyclability and rate capability, showing a high reversible capacity of 687 mA h g{sup −1} after 200 discharge/charge cycles at a current rate of 0.5 A g{sup −1}, compared to the 400 mA h g{sup −1} observed for Fe{sub 2}O{sub 3} nanoparticles. This enhanced performance was retained despite more demanding conditions, delivering a high capacity of about 525 mA h g{sup −1} and a nearly perfect coulombic efficiency even after 400 cycles at 1 A g{sup −1}. The easy production and superior electrochemical properties of this composite suggest that it is a promising material for use as an anode material in high performance lithium ion batteries.

  4. Decreased Interfacial Tension of Demixed Aqueous Polymer Solutions due to Charge

    Science.gov (United States)

    Vis, Mark; Peters, Vincent F. D.; Blokhuis, Edgar M.; Lekkerkerker, Henk N. W.; Erné, Ben H.; Tromp, R. Hans

    2015-08-01

    Electric charge at the water-water interface of demixed solutions of neutral polymer and polyelectrolyte decreases the already ultralow interfacial tension. This is demonstrated in experiments on aqueous mixtures of dextran (neutral) and nongelling fish gelatin (charged). Upon phase separation, electric charge and a potential difference develop spontaneously at the interface, decreasing the interfacial tension purely electrostatically in a way that can be accounted for quantitatively by Poisson-Boltzmann theory. Interfacial tension is a key property when it comes to manipulating the water-water interface, for instance to create novel water-in-water emulsions.

  5. Rheological Behavior Xanthan and SlurryPro Polymer Solutions Evaluated as Shear Thinning Delivery Fluids for Subsurface Remediation

    Science.gov (United States)

    Zhong, L.; Oostrom, M.; Truex, M.; Vermeul, V.

    2011-12-01

    Shear thinning fluids can be applied as a delivery means to enhance the uniformity of remedial amendment distribution in heterogeneous aquifers, thereby to improve remediation performance. The rheological behavior of biopolymer xanthan gum and synthetic polymer SlurryPro were tested, and their influence on the amendment delivery performance was evaluated. The impact of polymer concentration, basic water chemistry, salinity (e.g., Br-, Na+, Ca2+ concentrations), remedial amendments (phosphate, sodium lactate, ethyl lactate, lactate oil, whey), sediments, and the mixing approach on the rheological properties of the polymer solutions was determined. The SlurryPro polymer lost shear-thinning properties even at relatively low solution ionic strength. However, the xanthan gum polymer maintained shear-thinning properties under most of the tested conditions, though with some loss in absolute viscosity with increasing ionic strength. Xanthan appeared to be the better candidate for enhanced amendment delivery. Increasing in xanthan concentration not only increased the solution viscosity, but also increased degree of shear thinning. Addition of salt decreased the solution viscosity and the degree of shear thinning, while the influence was diminished when the polymer concentration was higher. After reaching a critical xanthan concentration, addition of salt increased solution viscosity. The degradation of xanthan and SlurryPro in the presence of site aquifer materials and microbes was studied in batch tests in which the field sediment/water ratio was simulated. The viscosity of the polymer solutions dropped 85% or more in the first week, while the solution chemical oxygen demand (COD) decreasing occurred at a much slower rate.

  6. Fabrication of conductive polymer nanofibers through SWNT supramolecular functionalization and aqueous solution processing

    Science.gov (United States)

    Naeem, Fahim; Prestayko, Rachel; Saem, Sokunthearath; Nowicki, Lauren; Imit, Mokhtar; Adronov, Alex; Moran-Mirabal, Jose M.

    2015-10-01

    Polymeric thin films and nanostructured composites with excellent electrical properties are required for the development of advanced optoelectronic devices, flexible electronics, wearable sensors, and tissue engineering scaffolds. Because most polymers available for fabrication are insulating, one of the biggest challenges remains the preparation of inexpensive polymer composites with good electrical conductivity. Among the nanomaterials used to enhance composite performance, single walled carbon nanotubes (SWNTs) are ideal due to their unique physical and electrical properties. Yet, a barrier to their widespread application is that they do not readily disperse in solvents traditionally used for polymer processing. In this study, we employed supramolecular functionalization of SWNTs with a conjugated polyelectrolyte as a simple approach to produce stable aqueous nanotube suspensions, that could be effortlessly blended with the polymer poly(ethyleneoxide) (PEO). The homogeneous SWNT:PEO mixtures were used to fabricate conductive thin films and nanofibers with improved conductivities through drop casting and electrospinning. The physical characterization of electrospun nanofibers through Raman spectroscopy and SEM revealed that the SWNTs were uniformly incorporated throughout the composites. The electrical characterization of SWNT:PEO thin films allowed us to assess their conductivity and establish a percolation threshold of 0.1 wt% SWNT. Similarly, measurement of the nanofiber conductivity showed that the electrospinning process improved the contact between nanotube complexes, resulting in conductivities in the S m-1 range with much lower weight loading of SWNTs than their thin film counterparts. The methods reported for the fabrication of conductive nanofibers are simple, inexpensive, and enable SWNT processing in aqueous solutions, and offer great potential for nanofiber use in applications involving flexible electronics, sensing devices, and tissue engineering

  7. Chemical solution deposition of YBCO thin film by different polymer additives

    Energy Technology Data Exchange (ETDEWEB)

    Wang, W.T.; Li, G.; Pu, M.H.; Sun, R.P.; Zhou, H.M.; Zhang, Y. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains, Ministry of Education of China, Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); Zhang, H. [Department of Physics, Peking University, Beijing 100871 (China); Yang, Y. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains, Ministry of Education of China, Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); Cheng, C.H. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains, Ministry of Education of China, Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); School of Materials Science and Engineering, University of New South Wale, Sydney, 2052 NSW (Australia); Zhao, Y. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains, Ministry of Education of China, Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); School of Materials Science and Engineering, University of New South Wale, Sydney, 2052 NSW (Australia)], E-mail: yzhao@swjtu.edu.cn

    2008-09-15

    A polymer-assisted chemical solution deposition approach has been proposed for the preparation of YBCO thin film. Different additives like PVB (polyvinyl butyral), PEG (polyethylene glycol) and PVP (polyvinylpyrrolidone) have been used to adjust the final viscosity of the precursor solution and thus the film formation. In this fluorine-free approach, YBCO has been deposited on single crystal substrates with metal acetates being starting materials. Biaxially textured YBCO thin films have been obtained. However, different additives lead to different microstructure. Dense, smooth and crack-free YBCO film prepared with PVB as additive yields sharp superconducting transition around T{sub c} = 90 K as well as high J{sub c} (0 T, 77 K) over 3 MA/cm{sup 2}.

  8. The corrosion effect of ozonated seawater solution on titanium in polymer generated crevice environments

    Energy Technology Data Exchange (ETDEWEB)

    Leveillee, S.Y.

    1998-01-01

    Two different tests were designed to evaluate the reaction of various polymers and grade-2 titanium in ozonated seawater in conjunction with a comparative analysis in an aerated seawater solution. The first was a weight loss test measuring the weight change of Polyvinyl chloride (PVC), Polyethylene and Teflon{trademark} in both ozonated and aerated artificial seawater baths. The second test was designed to induce crevice corrosion on the titanium test samples using various crevice generating materials in both ozonated and aerated solutions. The materials used to create the crevices were grade-2 titanium washers, PVC, Polyethylene, Saran and Teflon{trademark}. The weight loss test showed that all three polymers lost weight in the ozonated bath. The results of the titanium washer crevice test provided no indication of corrosion or surface discoloration in either the ozonated or aerated solutions. Energy dispersive spectrometry (EDS) analysis found no fluorine, chlorine or other corrosion product. The PVC samples in the aerated bath also showed no signs of corrosion, but the PVC samples in the ozonated tank had light brown rings of surface discoloration. One of the ozonated PVC samples did show evidence of chlorine in the corrosion product. The outer circumference of the ozonated PVC washers exhibited the same type bleaching effect as in the weight loss samples, but the whitening of these samples were more pronounced. The polyethylene samples under aeration showed no discoloration or presence of fluorine or chlorine. The polyethylene crevice samples in the ozonated solution all exhibited the distinct brilliant blue color of titanium oxide. Fluorine was found in the corrosion product on only one of the samples. Chlorine was found on the surface of one of the other corrosion coupons. The results of the Teflon{trademark} crevice samples substantiated the previous Rensselaer study.

  9. Hydrodynamic effects on phase separation morphologies in evaporating thin films of polymer solutions

    Science.gov (United States)

    Zoumpouli, Garyfalia A.; Yiantsios, Stergios G.

    2016-08-01

    We examine effects of hydrodynamics on phase separation morphologies developed during drying of thin films containing a volatile solvent and two dissolved polymers. Cahn-Hilliard and Flory-Huggins theories are used to describe the free energy of the phase separating systems. The thin films, considered as Newtonian fluids, flow in response to Korteweg stresses arising due to concentration non-uniformities that develop during solvent evaporation. Numerical simulations are employed to investigate the effects of a Peclet number, defined in terms of system physical properties, as well as the effects of parameters characterizing the speed of evaporation and preferential wetting of the solutes at the gas interface. For systems exhibiting preferential wetting, diffusion alone is known to favor lamellar configurations for the separated phases in the dried film. However, a mechanism of hydrodynamic instability of a short length scale is revealed, which beyond a threshold Peclet number may deform and break the lamellae. The critical Peclet number tends to decrease as the evaporation rate increases and to increase with the tendency of the polymers to selectively wet the gas interface. As the Peclet number increases, the instability moves closer to the gas interface and induces the formation of a lateral segregation template that guides the subsequent evolution of the phase separation process. On the other hand, for systems with no preferential wetting or any other property asymmetries between the two polymers, diffusion alone favors the formation of laterally separated configurations. In this case, concentration perturbation modes that lead to enhanced Korteweg stresses may be favored for sufficiently large Peclet numbers. For such modes, a second mechanism is revealed, which is similar to the solutocapillary Marangoni instability observed in evaporating solutions when interfacial tension increases with the concentration of the non-volatile component. This mechanism may lead

  10. Rheology resulting from shear-induced structure in associating polymer solutions

    International Nuclear Information System (INIS)

    Solutions of polyvinyl alcohol (PVA) and polysaccharide with sodium borate (SB) are investigated as a model system for associating polymers which exhibit shear-induced fluid structure and shear-thickening rheology. Certain combinations of PVA and SB concentrations are shown to result in fluids that exhibit a viscosity maximum followed by shear thinning as shear rate is increased. Stress saturation is often observed in the shear-thinning region. A significant hysteresis is also reported in which higher viscosities and lower shear rate for the viscosity maximum are observed in steady-state measurements made while decreasing shear rate in a stepwise manner. Boron nuclear magnetic resonance spectra are shown to be useful for elucidating the nature of the borate/hydroxyl dyad complexes, including their stereoselectivity. Boron resonance peaks allow quantitative determination of the number of complexes and confirmation that only crosslinking complexes are present in most of the solutions studied. Dynamic mechanical properties are included, and a physical picture of network structure building and breaking during flow of associating polymers is discussed

  11. Pore scale mixing and macroscopic solute dispersion regimes in polymer flows inside 2D model networks

    CERN Document Server

    D'Angelo, M V; Allain, C; Hulin, J P; Angelo, Maria Veronica D'; Auradou, Harold; Allain, Catherine; Hulin, Jean-Pierre

    2006-01-01

    A change of solute dispersion regime with the flow velocity has been studied both at the macroscopic and pore scales in a transparent array of capillary channels using an optical technique allowing for simultaneous local and global concentration mappings. Two solutions of different polymer concentrations (500 and 1000 ppm) have been used at different P\\'eclet numbers. At the macroscopic scale, the displacement front displays a diffusive spreading: for $Pe \\leq 10$, the dispersivity $l\\_d$ is constant with $Pe$ and increases with the polymer concentration; for $Pe > 10$, $l\\_d$ increases as $Pe^{1.35}$ and is similar for the two concentrations. At the local scale, a time lag between the saturations of channels parallel and perpendicular to the mean flow has been observed and studied as a function of the flow rate. These local measurements suggest that the change of dispersion regime is related to variations of the degree of mixing at the junctions. For $Pe \\leq 10$, complete mixing leads to pure geometrical di...

  12. A SLOW RELAXATION MODE OF POLYMER CHAINS IN A SEMIDILUTE SOLUTION

    Institute of Scientific and Technical Information of China (English)

    Jun-fang Li; Yi-jie Lu; Guang-zhao Zhang; Wei Li; Chi Wu

    2008-01-01

    Dust-free semidilute and concentrated polystyrene (PS) solutions in different solvents were prepared by slow evaporation and in situ anionic polymerization, which removes the effects of troublesome artifacts such as dust contamination and concentration gradient. The dynamics was reexamined by a combination of static and dynamic laser light scattering. In benzene and toluene (good solvents for PS), only one fast diffusive mode of polymer chains can be observed when the concentration (c) is up to 20%, which is attributed to thermally agitated fluctuation of "blobs" or chain segments.Static and dynamic correlation lengths (ξS and ξD) are scaled with c as ξSS(or ξD)~c-0.72±0.02. In cyclohexane, whose quality decreases with temperature in the range 32-50℃, an additional slow mode of polymer chains can be observed. Such a slow mode is viewed more obviously at a large scattering angle even in a concentrated solution with high chain entanglement. The present study indicates that the slow mode is due to the solvent quality.

  13. All solution processed tandem polymer solar cells based on thermocleavable materials

    Energy Technology Data Exchange (ETDEWEB)

    Hagemann, Ole; Krebs, Frederik C. [Risoe National Laboratory for Sustainable Energy, Polymer Department, Technical University of Denmark, Frederiksborgvej 399, DK-4000 Roskilde (Denmark); Bjerring, Morten; Nielsen, Niels Chr. [Center for Insoluble Protein Structures, Interdisciplinary Nanoscience Center (iNANO) and Department of Chemistry, University of Aarhus, DK-8000 Aarhus C (Denmark)

    2008-11-15

    Multilayer tandem polymer solar cells were prepared by solution processing using thermocleavable polymer materials that allow for conversion to an insoluble state through a short thermal treatment. The problems associated with solubility during application of subsequent layers in the stack were efficiently solved. Devices comprised a transparent front cathode based on solution processed zinc oxide nanoparticles, a large band gap active layer based on a bulk heterojunction between zinc oxide and poly(3-carboxydithiophene) (P3CT) followed by a layer of PEDOT:PSS processed from water. The second cell in the stack employed a zinc oxide front cathode processed on top of the PEDOT:PSS layer from an organic solvent, a low band gap active layer based on a bulk heterojunction between zinc oxide and the novel poly(carboxyterthiophene-co-diphenylthienopyrazine) (P3CTTP) followed by a layer of PEDOT:PSS again processed from water and finally a printed silver electrode. The devices were prepared without the use of fullerenes and vacuum steps and employ only thermal treatments and orthogonal solvents. The devices exhibited operational stability in air without any form of encapsulation. (author)

  14. Neutron spin echo spectroscopy. Its application to the study of the dynamics of polymers in solution

    International Nuclear Information System (INIS)

    This work focuses on Neutron Spin Echo (NSE) spectroscopy and on the NSE spectrometer MESS, which we have built at the L.L.B. (CE Saclay). After analyzing in detail the classical and quantum principles of this type of instrument, and illustrated them with optical analogies, we expound a simple formalism for the interpretation of polarized neutron experiments of the most general type. In a second part, we describe the MESS spectrometer extensively; its characteristics and performances as well as the first results obtained with this instrument. In particular, we include two papers showing how the neutron depolarization, spin rotation and echoes can be used to investigate high-Tc superconductors. The last part deals with the dynamics of Polymer-Polymer-Solvent ternary solutions and demonstrates how the Neutron Spin Echo technique becomes a privileged tool for such physico-chemical studies thanks to the joint use of NSE and contrast variation methods, coupled with the adequate ranges of time and scattering vectors accessible. Finally, we describe the specific case of partially deuterated polydimethyl-siloxane (PDMS) in semi-dilute solution in Toluene. We have experimentally and separately evidenced the cooperative and inter-diffusive diffusion modes predicted by the theory of Akcasu, Benoit, Benmouna et al. These results, obtained at the L.L.B. (CE Saclay) are the subject matter of the last paper included in this work. (author)

  15. Recent Advances in Characterization of Lignin Polymer by Solution-State Nuclear Magnetic Resonance (NMR Methodology

    Directory of Open Access Journals (Sweden)

    Run-Cang Sun

    2013-01-01

    Full Text Available The demand for efficient utilization of biomass induces a detailed analysis of the fundamental chemical structures of biomass, especially the complex structures of lignin polymers, which have long been recognized for their negative impact on biorefinery. Traditionally, it has been attempted to reveal the complicated and heterogeneous structure of lignin by a series of chemical analyses, such as thioacidolysis (TA, nitrobenzene oxidation (NBO, and derivatization followed by reductive cleavage (DFRC. Recent advances in nuclear magnetic resonance (NMR technology undoubtedly have made solution-state NMR become the most widely used technique in structural characterization of lignin due to its versatility in illustrating structural features and structural transformations of lignin polymers. As one of the most promising diagnostic tools, NMR provides unambiguous evidence for specific structures as well as quantitative structural information. The recent advances in two-dimensional solution-state NMR techniques for structural analysis of lignin in isolated and whole cell wall states (in situ, as well as their applications are reviewed.

  16. Polymer fractionation

    Energy Technology Data Exchange (ETDEWEB)

    Hadermann, A. F.

    1985-04-09

    Soluble polymers are fractionated according to molecular weight by cryogenically comminuting the polymer and introducing the polymer particles, while still in the active state induced by cryogenic grinding, into a liquid having a solvent power selected to produce a coacervate fraction containing high molecular weight polymer species and a dilute polymer solution containing lower molecular weight polymer species. The coacervate may be physically separated from the solution and finds use in the production of antimisting jet fuels and the like.

  17. The hydrogen generation from alkaline NaBH4 solution by using electroplated amorphous Co–Ni–P film catalysts

    International Nuclear Information System (INIS)

    The amorphous Co–Ni–P films were electroplating on Cu sheets. The effects of NiSO4 concentrations on the deposit plating rate and the catalytic activities for NaBH4 hydrolysis were investigated. The surface morphology and phase structure of the deposited Co–Ni–P films were characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD) analysis. The composition was analyzed by energy dispersive spectrometer (EDX). Experimental results showed that adding NiSO4 in Co–P bath could increase the deposition rate. When 0.01 M of NiSO4 was used, the highest deposition rate and the highest hydrogen generation rate of 3636 mL (min g-catalyst)−1 were obtained. The activation energy (Ea) for the NaBH4 hydrolysis was 38 kJ mol−1, which was comparable to the value of noble metal catalysts.

  18. Controlling solution-phase polymer aggregation with molecular weight and solvent additives to optimize polymer-fullerene bulk heterojunction solar cells

    KAUST Repository

    Bartelt, Jonathan A.

    2014-03-20

    The bulk heterojunction (BHJ) solar cell performance of many polymers depends on the polymer molecular weight (M n) and the solvent additive(s) used for solution processing. However, the mechanism that causes these dependencies is not well understood. This work determines how M n and solvent additives affect the performance of BHJ solar cells made with the polymer poly(di(2-ethylhexyloxy)benzo[1,2-b:4,5-b\\']dithiophene-co- octylthieno[3,4-c]pyrrole-4,6-dione) (PBDTTPD). Low M n PBDTTPD devices have exceedingly large fullerene-rich domains, which cause extensive charge-carrier recombination. Increasing the M n of PBDTTPD decreases the size of these domains and significantly improves device performance. PBDTTPD aggregation in solution affects the size of the fullerene-rich domains and this effect is linked to the dependency of PBDTTPD solubility on M n. Due to its poor solubility high M n PBDTTPD quickly forms a fibrillar polymer network during spin-casting and this network acts as a template that prevents large-scale phase separation. Furthermore, processing low M n PBDTTPD devices with a solvent additive improves device performance by inducing polymer aggregation in solution and preventing large fullerene-rich domains from forming. These findings highlight that polymer aggregation in solution plays a significant role in determining the morphology and performance of BHJ solar cells. The performance of poly(di(2-ethylhexyloxy) benzo[1,2-b:4,5-b\\']dithiophene-co-octylthieno[3,4-c]pyrrole-4,6-dione) (PBDTTPD) bulk heterojunction solar cells strongly depends on the polymer molecular weight, and processing these bulk heterojunctions with a solvent additive preferentially improves the performance of low molecular weight devices. It is demonstrated that polymer aggregation in solution significantly impacts the thin-film bulk heterojunction morphology and is vital for high device performance. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. High-pressure light scattering apparatus to study pressure-induced phase separation in polymer solutions

    Science.gov (United States)

    Xiong, Yan; Kiran, Erdogan

    1998-03-01

    A new high-pressure time- and angle-resolved light scattering apparatus has been developed to study the kinetics of phase separation in polymer solutions and other fluid mixtures under pressure at near- and supercritical conditions. The system consists of a high-pressure polymer loading chamber, a solvent charge line, a variable-volume scattering cell (with a built-in movable piston connected to a pressure generator, and an expansion rod driven by an air-actuated diaphragm), and a recirculation pump which are all housed in a temperature-controlled oven. The system is operable at pressures up to 70 MPa, and temperatures up to 473 K. The scattering cell is a short path-length cell made of two flat sapphire windows that are separated by 250 μm. It is designed to permit measurements of transmitted and scattered light intensities over an angle range from 0° to 30°. A linear image sensor with 256 elements is used to monitor the time evolution of the scattered light intensities at different angles. With this sensor, the angle range from 2° to 13° is scanned at a sampling rate of 3.2 ms/scan. The pressure quenches are achieved by movement of the air-actuated movable expansion rod, or by the movement of the piston with the aid of the pressure generator to bring about either rapid (at rates approaching 2000 MPa/s) or slow pressure changes in the system. Quench depth is also adjustable, and very deep (70 MPa) or very shallow (as low as 0.1 MPa) pressure quenches are readily achievable. The temperature and the pressure of the solution in the scattering cell, and the transmitted and scattered light intensities at different angles are recorded in real time through a computerized data acquisition system before and during phase separation. The experimental system is especially suited to follow the kinetics of phase separation in polymer solutions and to assess the metastable and unstable regions where phase separation proceeds by the nucleation and growth, and the spinodal

  20. Interaction of derived polymers from pyrrole with biocompatible solutions; Interaccion de polimeros derivados de pirrol con soluciones biocompatibles

    Energy Technology Data Exchange (ETDEWEB)

    Lopez G, O. G.

    2010-07-01

    This work presents a study about the synthesis by plasma, the electric properties and superficial interaction of polymers derived from pyrrole doped with Iodine with potential use as bio material. Poly-pyrrole is a semiconductor and biocompatible polymer with potential application in the development of artificial muscles and implants where the electric interaction between cells and material is an important variable. The syntheses were made at 13.5 MHz in a glass tubular reactor of 1500 cm{sup 3} with electrodes of 6.5 cm diameter and stainless steel flanges. An electrode was connected to the RF terminal of the power supply that is combined with a matching coupling resistance. The monomer and dopant used in this work were pyrrole and Iodine respectively, in closed containers. They were vaporized and injected separately into the reactor at room temperature and 0.1 mbar. The vapors of the reagents mixed freely in the reactor. The synthesis time was 240 min at 40, 60, 80 and 100 W. The polymers were obtained as thin films adhered to the reactor walls. The films were washed and swollen with distilled water and removed from the reactor walls with a small spatula. The polymers were irradiated with gamma rays at 18 and 22 KGy. Due to the fact that the doses are cumulative, the final dose applied was 40 KGy. The polymers characterization was carried out by Fourier Transform Infrared Spectroscopy, thermogravimetric analysis (TGA), scanning electron microscopy, contact angle, electrical conductivity and X-ray diffraction. The analyses indicates that the polymers have very similar structure in almost the entire power range, showing C-O, C=C, C-H, O-H, N-H bonds with a predominantly amorphous structure. The TGA analyses showed that the material has 4 or 5 loses of material. The first one starts after that 115 C except for the material irradiated at 40 KGy, this one begins in 87 C, the second one is in the interval of 196 and 295 C, the third one between 311 and 500 C, and the

  1. Inclusion of mPRISM potential for polymer-induced protein interactions enables modeling of second osmotic virial coefficients in aqueous polymer-salt solutions.

    Science.gov (United States)

    Herhut, Marcel; Brandenbusch, Christoph; Sadowski, Gabriele

    2016-01-01

    The downstream processing of therapeutic proteins is a challenging task. Key information needed to estimate applicable workup strategies (e.g. crystallization) are the interactions of the proteins with other components in solution. This information can be deduced from the second osmotic virial coefficient B22 , measurable by static light scattering. Thermodynamic models are very valuable for predicting B22 data for different process conditions and thus decrease the experimental effort. Available B22 models consider aqueous salt solutions but fail for the prediction of B22 if an additional polymer is present in solution. This is due to the fact that depending on the polymer concentration protein-protein interactions are not rectified as assumed within these models. In this work, we developed an extension of the xDLVO model to predict B22 data of proteins in aqueous polymer-salt solutions. To show the broad applicability of the model, lysozyme, γ-globulin and D-xylose ketol isomerase in aqueous salt solution containing polyethylene glycol were considered. For all proteins considered, the modified xDLVO model was able to predict the experimentally observed non-monotonical course in B22 data with high accuracy. When used in an early stage in process development, the model will contribute to an efficient and cost effective downstream processing development.

  2. Mechanisms behind injecting the combination of nano-clay particles and polymer solution for enhanced oil recovery

    Science.gov (United States)

    Khalili Nezhad, Seyyed Shahram; Cheraghian, Goshtasp

    2015-09-01

    Laboratory investigations and field applications have proved injection of polymer solution to be an effective means to improve oil recovery for reservoirs of medium oil viscosity. The incremental oil produced in this case is the result of an increase in areal and vertical sweep efficiencies. Biopolymers and synthetic polymers are the major categories used in the petroleum industry for specific reasons. Biopolymers like xanthan are limited in their application as they are more susceptible to biodegradation. Synthetic polymers like Hydrolyzed PolyAcrylaMide (HPAM) have a much wider application as they are less susceptible to biodegradation. Furthermore, development of nanotechnology has successfully provided technical and economical viable alternatives for present materials. The objective of this study is to investigate the effect of combining clay nanoparticles with polymer solution on oil recovery. This paper includes a history match of both one-dimensional and two-dimensional polymer floods using a three-dimensional numerical model for fluid flow and mass transport. Results indicated that the amount of polymer adsorption decreased when clay nanoparticles were added to the PolyAcrylaMide solution; however, mobility ratio improvement is believed to be the main contributor for the proposed method in order to enhance much oil recovery compared to xanthan flood and HPAM flood.

  3. Solvent-dependent self-assembly and ordering in slow-drying semi-crystalline conjugated polymer solutions

    KAUST Repository

    Zhao, Kui

    2015-09-07

    The mechanistic understanding of the intrinsic molecular self-assembly of conjugated polymers is of immense importance to controlling the microstructure development in organic semiconducting thin films, with meaningful impact on charge transport and optoelectronic properties. Yet, to date the vast majority of studies have focused on the fast solution process itself, with studies of slower intrinsic molecular self-assembly in formulations lagging behind. Here we have investigated molecular self-assembly during spontaneous organization and uncovered how changes in formulation influence the microstructure, morphology and transport properties of conjugated polymer thin films. Our results suggest that the polymer-solvent interaction is the key factor for the molecular self-assembly and changes in macroscopic charge transport, which is in contrast with most solution processes, such as spin-coating and blade coating, where solvent drying kinetics dominates the aggregation and crystallization processes. Energetically favourable interactions between the polymer and its solvent are shown to cause chain expansion, resulting in a large hydrodynamic volume and few chain entanglements in solution. This provides molecular freedom for self-assembly and is shown to greatly enhance the local and long range order of the polymer, intra-chain backbone planarity and crystallite size. These improvements, in turn, are shown to endow the conjugated polymer with high carrier transport, as demonstrated by organic thin film transistors.

  4. Mechanisms behind injecting the combination of nano-clay particles and polymer solution for enhanced oil recovery

    Science.gov (United States)

    Khalili Nezhad, Seyyed Shahram; Cheraghian, Goshtasp

    2016-08-01

    Laboratory investigations and field applications have proved injection of polymer solution to be an effective means to improve oil recovery for reservoirs of medium oil viscosity. The incremental oil produced in this case is the result of an increase in areal and vertical sweep efficiencies. Biopolymers and synthetic polymers are the major categories used in the petroleum industry for specific reasons. Biopolymers like xanthan are limited in their application as they are more susceptible to biodegradation. Synthetic polymers like Hydrolyzed PolyAcrylaMide (HPAM) have a much wider application as they are less susceptible to biodegradation. Furthermore, development of nanotechnology has successfully provided technical and economical viable alternatives for present materials. The objective of this study is to investigate the effect of combining clay nanoparticles with polymer solution on oil recovery. This paper includes a history match of both one-dimensional and two-dimensional polymer floods using a three-dimensional numerical model for fluid flow and mass transport. Results indicated that the amount of polymer adsorption decreased when clay nanoparticles were added to the PolyAcrylaMide solution; however, mobility ratio improvement is believed to be the main contributor for the proposed method in order to enhance much oil recovery compared to xanthan flood and HPAM flood.

  5. Free-radical-induced chain scission and cross-linking of polymers in aqueous solution - an overview

    International Nuclear Information System (INIS)

    In the radiolysis of N2O-saturated aqueous solutions the ·OH radicals in their reactions with polymers give rise to polymer-derived radicals. The kinetics of the formation and decay of these radicals are reviewed. Once a larger number of radicals are formed on one polymer molecule, e.g. upon pulse radiolysis, close-by radicals recombine more rapidly while the more distant ones survive for much longer times. Intermolecular cross-linking (between two polymer chains, increase in molecular weight) and intramolecular cross-linking (formation of small loops, no increase in polymer weight) are competing processes, and their relative yields thus depend on the dose rate and polymer concentration. Hydrogen-transfer reactions within the polymer, e.g. transformation of a secondary radical into a tertiary one, are common and facilitated by the high local density of reactive sites. Due to repulsive forces, the lifetime of radicals of charged polymers is substantially increased. This enables even relatively slow β-fragmentation reactions to become of importance. In the case of poly(methacrylic acid) this even leads to an unzipping, and the situation of equilibrium polymerisation is approached. Heterolytic β-fragmentation is possible when adequate leaving groups are available, e.g. in polynucleotides and DNA. In the presence of O2, chain scission occurs via oxyl radicals as intermediates

  6. Generation of multicomponent polymer blend microparticles using droplet evaporation technique and modeling evaporation of binary droplet containing nonvolatile solute

    Science.gov (United States)

    Rajagopalan, Venkat Narayan

    Recently, considerable attention has been focused on the generation of nano- and micrometer scale multicomponent polymer particles with specifically tailored mechanical, electrical and optical properties. As only a few polymer-polymer pairs are miscible, the set of multicomponent polymer systems achievable by conventional methods, such as melt blending, is severely limited in property ranges. Therefore, researchers have been evaluating synthesis methods that can arbitrarily blend immiscible solvent pairs, thus expanding the range of properties that are practical. The generation of blended microparticles by evaporating a co-solvent from aerosol droplets containing two dissolved immiscible polymers in solution seems likely to exhibit a high degree of phase uniformity. A second important advantage of this technique is the formation of nano- and microscale particulates with very low impurities, which are not attainable through conventional solution techniques. When the timescale of solvent evaporation is lower than that of polymer diffusion and self-organization, phase separation is inhibited within the atto- to femto-liter volume of the droplet, and homogeneous blends of immiscible polymers can be produced. We have studied multicomponent polymer particles generated from highly monodisperse micrordroplets that were produced using a Vibrating Orifice Aerosol Generator (VOAG). The particles are characterized for both external and internal morphology along with homogeneity of the blends. Ultra-thin slices of polymer particles were characterized by a Scanning Electron Microscope (SEM), and the degree of uniformity was examined using an Electron Dispersive X-ray Analysis (EDAX). To further establish the homogeneity of the polymer blend microparticles, differential scanning calorimeter was used to measure the glass transition temperature of the microparticles obtained. These results have its significance in the field of particulate encapsulation. Also, better control of the

  7. Removal of anionic azo dyes from aqueous solution by functional ionic liquid cross-linked polymer

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Hejun [Key Laboratory of Colloid and Interface Chemistry, Shandong University, Ministry of Education, Jinan 250100 (China); Chemical Synthesis and Pollution Control Key Laboratory of Sichuan Province, China West Normal University, Nanchong 637000 (China); Kan, Taotao [CNOOC Energy Technology and Services-oilfield Technology Services Co., Tanggu, Tianjin 300452 (China); Zhao, Siyuan; Qian, Yixia; Cheng, Xiyuan; Wu, Wenli [School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100 (China); Wang, Xiaodong [Shandong Provincial Analysis and Test Center, Jinan 250100 (China); Zheng, Liqiang, E-mail: lqzheng@sdu.edu.cn [Key Laboratory of Colloid and Interface Chemistry, Shandong University, Ministry of Education, Jinan 250100 (China)

    2013-10-15

    Highlights: • Equilibrium, kinetic and thermodynamic of adsorption of dyes onto PDVB-IL was investigated. • PDVB-IL has a high adsorption capacity to treat dyes solution. • Higher adsorption capacity is due to the functional groups of PDVB-IL. • Molecular structure of dyes influences the adsorption capacity. -- Abstract: A novel functional ionic liquid based cross-linked polymer (PDVB-IL) was synthesized from 1-aminoethyl-3-vinylimidazolium chloride and divinylbenzene for use as an adsorbent. The physicochemical properties of PDVB-IL were investigated by Fourier transform infrared spectroscopy, scanning electron microscopy and thermogravimetric analysis. The adsorptive capacity was investigated using anionic azo dyes of orange II, sunset yellow FCF, and amaranth as adsorbates. The maximum adsorption capacity could reach 925.09, 734.62, and 547.17 mg/g for orange II, sunset yellow FCF and amaranth at 25 °C, respectively, which are much better than most of the other adsorbents reported earlier. The effect of pH value was investigated in the range of 1–8. The result shows that a low pH value is found to favor the adsorption of those anionic azo dyes. The adsorption kinetics and isotherms are well fitted by a pseudo second-order model and Langmuir model, respectively. The adsorption process is found to be dominated by physisorption. The introduction of functional ionic liquid moieties into cross-linked poly(divinylbenzene) polymer constitutes a new and efficient kind of adsorbent.

  8. Removal of anionic azo dyes from aqueous solution by functional ionic liquid cross-linked polymer

    International Nuclear Information System (INIS)

    Highlights: • Equilibrium, kinetic and thermodynamic of adsorption of dyes onto PDVB-IL was investigated. • PDVB-IL has a high adsorption capacity to treat dyes solution. • Higher adsorption capacity is due to the functional groups of PDVB-IL. • Molecular structure of dyes influences the adsorption capacity. -- Abstract: A novel functional ionic liquid based cross-linked polymer (PDVB-IL) was synthesized from 1-aminoethyl-3-vinylimidazolium chloride and divinylbenzene for use as an adsorbent. The physicochemical properties of PDVB-IL were investigated by Fourier transform infrared spectroscopy, scanning electron microscopy and thermogravimetric analysis. The adsorptive capacity was investigated using anionic azo dyes of orange II, sunset yellow FCF, and amaranth as adsorbates. The maximum adsorption capacity could reach 925.09, 734.62, and 547.17 mg/g for orange II, sunset yellow FCF and amaranth at 25 °C, respectively, which are much better than most of the other adsorbents reported earlier. The effect of pH value was investigated in the range of 1–8. The result shows that a low pH value is found to favor the adsorption of those anionic azo dyes. The adsorption kinetics and isotherms are well fitted by a pseudo second-order model and Langmuir model, respectively. The adsorption process is found to be dominated by physisorption. The introduction of functional ionic liquid moieties into cross-linked poly(divinylbenzene) polymer constitutes a new and efficient kind of adsorbent

  9. Size-exclusion partitioning of neutral solutes in crosslinked polymer networks: A Monte Carlo simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Quesada-Pérez, Manuel; Maroto-Centeno, José Alberto [Departamento de Física, Escuela Politécnica Superior de Linares, Universidad de Jaén, 23700 Linares, Jaén (Spain); Adroher-Benítez, Irene [Grupo de Física de Fluidos y Biocoloides, Departamento de Física Aplicada, Facultad de Ciencias, Universidad de Granada, 18071 Granada (Spain)

    2014-05-28

    In this work, the size-exclusion partitioning of neutral solutes in crosslinked polymer networks has been studied through Monte Carlo simulations. Two models that provide user-friendly expressions to predict the partition coefficient have been tested over a wide range of volume fractions: Ogston's model (especially devised for fibrous media) and the pore model. The effects of crosslinking and bond stiffness have also been analyzed. Our results suggest that the fiber model can acceptably account for size-exclusion effects in crosslinked gels. Its predictions are good for large solutes if the fiber diameter is assumed to be the effective monomer diameter. For solutes sizes comparable to the monomer dimensions, a smaller fiber diameter must be used. Regarding the pore model, the partition coefficient is poorly predicted when the pore diameter is estimated as the distance between adjacent crosslinker molecules. On the other hand, our results prove that the pore sizes obtained from the pore model by fitting partitioning data of swollen gels are overestimated.

  10. Tuning the Microcavity of Organic Light Emitting Diodes by Solution Processable Polymer-Nanoparticle Composite Layers.

    Science.gov (United States)

    Preinfalk, Jan B; Schackmar, Fabian R; Lampe, Thomas; Egel, Amos; Schmidt, Tobias D; Brütting, Wolfgang; Gomard, Guillaume; Lemmer, Uli

    2016-02-01

    In this study, we present a simple method to tune and take advantage of microcavity effects for an increased fraction of outcoupled light in solution-processed organic light emitting diodes. This is achieved by incorporating nonscattering polymer-nanoparticle composite layers. These tunable layers allow the optimization of the device architecture even for high film thicknesses on a single substrate by gradually altering the film thickness using a horizontal dipping technique. Moreover, it is shown that the optoelectronic device parameters are in good agreement with transfer matrix simulations of the corresponding layer stack, which offers the possibility to numerically design devices based on such composite layers. Lastly, it could be shown that the introduction of nanoparticles leads to an improved charge injection, which combined with an optimized microcavity resulted in a maximum luminous efficacy increase of 85% compared to a nanoparticle-free reference device.

  11. Viscoelasticity and nonlinear simple shear flow behavior of an entangled asymmetric exact comb polymer solution

    KAUST Repository

    Snijkers, F.

    2016-03-31

    We report upon the characterization of the steady-state shear stresses and first normal stress differences as a function of shear rate using mechanical rheometry (both with a standard cone and plate and with a cone partitioned plate) and optical rheometry (with a flow-birefringence setup) of an entangled solution of asymmetric exact combs. The combs are polybutadienes (1,4-addition) consisting of an H-skeleton with an additional off-center branch on the backbone. We chose to investigate a solution in order to obtain reliable nonlinear shear data in overlapping dynamic regions with the two different techniques. The transient measurements obtained by cone partitioned plate indicated the appearance of overshoots in both the shear stress and the first normal stress difference during start-up shear flow. Interestingly, the overshoots in the start-up normal stress difference started to occur only at rates above the inverse stretch time of the backbone, when the stretch time of the backbone was estimated in analogy with linear chains including the effects of dynamic dilution of the branches but neglecting the effects of branch point friction, in excellent agreement with the situation for linear polymers. Flow-birefringence measurements were performed in a Couette geometry, and the extracted steady-state shear and first normal stress differences were found to agree well with the mechanical data, but were limited to relatively low rates below the inverse stretch time of the backbone. Finally, the steady-state properties were found to be in good agreement with model predictions based on a nonlinear multimode tube model developed for linear polymers when the branches are treated as solvent.

  12. Threshold-like complexation of conjugated polymers with small molecule acceptors in solution within the neighbor-effect model.

    Science.gov (United States)

    Sosorev, Andrey Yu; Parashchuk, Olga D; Zapunidi, Sergey A; Kashtanov, Grigoriy S; Golovnin, Ilya V; Kommanaboyina, Srikanth; Perepichka, Igor F; Paraschuk, Dmitry Yu

    2016-02-14

    In some donor-acceptor blends based on conjugated polymers, a pronounced charge-transfer complex (CTC) forms in the electronic ground state. In contrast to small-molecule donor-acceptor blends, the CTC concentration in polymer:acceptor solution can increase with the acceptor content in a threshold-like way. This threshold-like behavior was earlier attributed to the neighbor effect (NE) in the polymer complexation, i.e., next CTCs are preferentially formed near the existing ones; however, the NE origin is unknown. To address the factors affecting the NE, we record the optical absorption data for blends of the most studied conjugated polymers, poly(2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene) (MEH-PPV) and poly(3-hexylthiophene) (P3HT), with electron acceptors of fluorene series, 1,8-dinitro-9,10-antraquinone (), and 7,7,8,8-tetracyanoquinodimethane () in different solvents, and then analyze the data within the NE model. We have found that the NE depends on the polymer and acceptor molecular skeletons and solvent, while it does not depend on the acceptor electron affinity and polymer concentration. We conclude that the NE operates within a single macromolecule and stems from planarization of the polymer chain involved in the CTC with an acceptor molecule; as a result, the probability of further complexation with the next acceptor molecules at the adjacent repeat units increases. The steric and electronic microscopic mechanisms of NE are discussed. PMID:26799407

  13. Threshold-like complexation of conjugated polymers with small molecule acceptors in solution within the neighbor-effect model.

    Science.gov (United States)

    Sosorev, Andrey Yu; Parashchuk, Olga D; Zapunidi, Sergey A; Kashtanov, Grigoriy S; Golovnin, Ilya V; Kommanaboyina, Srikanth; Perepichka, Igor F; Paraschuk, Dmitry Yu

    2016-02-14

    In some donor-acceptor blends based on conjugated polymers, a pronounced charge-transfer complex (CTC) forms in the electronic ground state. In contrast to small-molecule donor-acceptor blends, the CTC concentration in polymer:acceptor solution can increase with the acceptor content in a threshold-like way. This threshold-like behavior was earlier attributed to the neighbor effect (NE) in the polymer complexation, i.e., next CTCs are preferentially formed near the existing ones; however, the NE origin is unknown. To address the factors affecting the NE, we record the optical absorption data for blends of the most studied conjugated polymers, poly(2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene) (MEH-PPV) and poly(3-hexylthiophene) (P3HT), with electron acceptors of fluorene series, 1,8-dinitro-9,10-antraquinone (), and 7,7,8,8-tetracyanoquinodimethane () in different solvents, and then analyze the data within the NE model. We have found that the NE depends on the polymer and acceptor molecular skeletons and solvent, while it does not depend on the acceptor electron affinity and polymer concentration. We conclude that the NE operates within a single macromolecule and stems from planarization of the polymer chain involved in the CTC with an acceptor molecule; as a result, the probability of further complexation with the next acceptor molecules at the adjacent repeat units increases. The steric and electronic microscopic mechanisms of NE are discussed.

  14. The derivation and moments solution of approximate transport equations for the implantation of ions into amorphous targets

    Science.gov (United States)

    Ashworth, D. G.; Bowyer, M. D. J.; Oven, R.

    1995-06-01

    Commencing with the LSS integro-differential equation, an approximate transport equation is derived from which the moments of the range distribution may be obtained. The resulting equation set is known as the Kent Range ALgorithm (KRAL). The method for numerical solution of these equations, when written as a set of coupled second order ordinary differential equations (ODEs) of the initial value type, is then outlined. Solution is achieved by recasting the equation set in the form of first order ODEs designed for iterative solution. The technique used is an iterative refinement (or residual correction) procedure and the set of first order ODEs is called the Kent Optimised Range ALgorithm (KORAL). Finally, the first three moments from KORAL, first and second order PRAL codes and the full transport equation code KUBBIC-91 are compared with Monte Carlo data obtained from a TRIM code modified to treat targets of infinite extent. Comparisons are performed using consistent nuclear and electronic energy loss models.

  15. Improvement of Physico-mechanical Properties of Partially Amorphous Acetaminophen Developed from Hydroalcoholic Solution Using Spray Drying Technique

    OpenAIRE

    Fatemeh Sadeghi; Mansour Torab; Mostafa Khattab; Alireza Homayouni; Hadi Afrasiabi Garekani

    2013-01-01

      Objective(s): This study was performed aiming to investigate the effect of particle engineering via spray drying of hydroalcoholic solution on solid states and physico-mechanical properties of acetaminophen.   Materials and Methods: Spray drying of hydroalcoholic solution (25% v/v ethanol/water) of acetaminophen (5% w/v) in the presence of small amounts of polyninylpyrrolidone K30 (PVP) (0, 1.25, 2.5 and 5% w/w based on acetaminophen weight) was carried out. The properties of spray dried pa...

  16. One-Dimensional Modelling of Polymer Flood Performance. Analytical and Graphical Solutions Modélisation de l'efficacité du déplacement unidimensionnel par injection de polymères. Solutions analytiques et graphiques

    Directory of Open Access Journals (Sweden)

    Grattoni C. A.

    2006-11-01

    Full Text Available A graphical method for simulating linear polymer flooding is proposed. The method is based upon the analytical solution of Darcy's law and continuity equation which describe the two-phase, one-dimensional, incompressible flow of oil and polymer solution through the reservoir rock. Continuous polymer injection and polymer slug injection are considered. Several physical mechanisms determining microscopic displacement efficiency are taken into account: resistance factor, residual resistance factor, retention composed by adsorption and mechanical entrapment, and inaccessible pore volume. Other properties are not considered: mixing and dispersion, shear and thermal degradation. This analytical-graphical model closely reproduces linear laboratory oil displacement experiments. Consequently, it can be used by the Field Engineer to rapidly estimate the additional oil recoverable by a linear polymer flood. On propose dans cet article une méthode graphique de simulation de l'injection de polymères dans le cas unidimensionnel. Cette méthode est basée sur la solution analytique de la loi de Darcy et de l'équation de continuité qui décrivent l'écoulement diphasique incompressible unidimen-sionnel d'huile et d'une solution de polymères à travers la roche réservoir. On examine l'injection continue et l'injection de bouchons de polymères. On prend en compte plusieurs mécanismes physiques qui déterminent l'efficacité du déplacement microscopique : facteur de ré-sistance, facteur de résistance résiduel, rétention due à l'adsorption et au piégeage mécanique et, enfin, volume des pores inacessibles. On ne tient pas compte des autres propriétés : mélange et dispersion, dégradation mécanique et thermique. Ce modèle analytique et graphique reproduit très directement les expériences de laboratoire de déplacement d'huile en milieu unidimensionnel. II peut donc être utilisé par l'ingénieur de chantier pour une estimation rapide de l

  17. Chain Confinement in Electrospun Nanocomposites: using Thermal Analysis to Investigate Polymer-Filler Interactions

    Energy Technology Data Exchange (ETDEWEB)

    Q Ma; B Mao; P Cebe

    2011-12-31

    We investigate the interaction of the polymer matrix and filler in electrospun nanofibers using advanced thermal analysis methods. In particular, we study the ability of silicon dioxide nanoparticles to affect the phase structure of poly(ethylene terephthalate), PET. SiO{sub 2} nanoparticles (either unmodified or modified with silane) ranging from 0 to 2.0 wt% in PET were electrospun from hexafluoro-2-propanol solutions. The morphologies of both the electrospun (ES) nanofibers and the SiO{sub 2} powders were observed by scanning and transmission electron microscopy, while the amorphous or crystalline nature of the fibers was determined by real-time wide-angle X-ray scattering. The fractions of the crystal, mobile amorphous, and rigid amorphous phases of the non-woven, nanofibrous composite mats were quantified by using heat capacity measurements. The amount of the immobilized polymer layer, the rigid amorphous fraction, was obtained from the specific reversing heat capacity for both as-spun amorphous fibers and isothermally crystallized fibers. Existence of the rigid amorphous phase in the absence of crystallinity was verified in nanocomposite fibers, and two origins for confinement of the rigid amorphous fraction are proposed. Thermal analysis of electrospun fibers, including quasi-isothermal methods, provides new insights to quantitatively characterize the polymer matrix phase structure and thermal transitions, such as devitrification of the rigid amorphous fraction.

  18. Facile Routes To Improve Performance of Solution-Processed Amorphous Metal Oxide Thin Film Transistors by Water Vapor Annealing.

    Science.gov (United States)

    Park, Won-Tae; Son, Inyoung; Park, Hyun-Woo; Chung, Kwun-Bum; Xu, Yong; Lee, Taegweon; Noh, Yong-Young

    2015-06-24

    Here, we report on a simple and high-rate oxidization method for producing solution-based compound mixtures of indium zinc oxide (IZO) and indium gallium zinc oxide (IGZO) metal-oxide semiconductors (MOS) for thin-film transistor (TFT) applications. One of the issues for solution-based MOS fabrication is how to sufficiently oxidize the precursor in order to achieve high performance. As the oxidation rate of solution processing is lower than vacuum-based deposition such as sputtering, devices using solution-processed MOS exhibit relatively poorer performance. Therefore, we propose a method to prepare the metal-oxide precursor upon exposure to saturated water vapor in a closed volume for increasing the oxidization efficiency without requiring additional oxidizing agent. We found that the hydroxide rate of the MOS film exposed to water vapor is lower than when unexposed (≤18%). Hence, we successfully fabricated oxide TFTs with high electron mobility (27.9 cm(2)/V·s) and established a rapid process (annealing at 400 °C for 5 min) that is much shorter than the conventional as-deposited long-duration annealing (at 400 °C for 1 h) whose corresponding mobility is even lower (19.2 cm(2)/V·s). PMID:26043206

  19. Prediction of Henry's constant in polymer solutions using PCOR equation of state coupled with an activity coefficient model

    Institute of Scientific and Technical Information of China (English)

    Somayeh Tourani; Alireza Behvandi; Farhad Khorasheh

    2015-01-01

    In this paper, the polymer chain of rotator (PCOR) equation of state (EOS) was used together with an EOS/GE mixing rule (MHV1) and the Wilson's equation as an excess-Gibbs-energy model in the proposed approach to extend the capability and improve the accuracy of the PCOR EOS for predicting the Henry's constant of solutions containing polymers. The results of the proposed method compared with two equation of state (van der Waals and GC-Flory) and three activity coefficient models (UNIFAC, UNIFAC-FV and Entropic-FV) indicated that the PCOR EOS/Wilson's equation provided more accurate results. The interaction parameters of Wilson's equation were fitted with Henry's constant experimental data and the property parameters of PCOR, a and b, were fitted with experimental volume data (Tait equation). As a result, the present work provided a simple and useful model for prediction of Henry's constant for polymer solutions.

  20. A light review on Polymer and CO2 Flooding (With Suggestion Combination of CO2 into Polymer Solution to Superior Flooding

    Directory of Open Access Journals (Sweden)

    O. Arjmand

    2012-08-01

    Full Text Available Today carbon dioxide (CO2 is one of displacing fluids that is used in Enhanced Oil Recovery (EOR process. However the low viscosity of CO2 causes it to finger towards the production well and bypassed large amounts of oil. Because of during flooding of CO2 its mobility is very less than crude oil into reservoir that causes to leave a great amount of oil, so a reduction in CO2 mobility would be inclined to mitigate. We in this review study state that could increase CO2 viscosity with dissolving it into polymer solution, that it can delay breakthrough time of CO2 during EOR process. In addition with making of such solution can decrease oil viscosity during flooding process into reservoir simultaneously. In actual with mixing of CO2 gas at high pressure into Partial Hydrolyzed Polyacrylamide solution (HPAM as an anionic polymer can increase the viscosity of CO2 with a concentration optimum of polymer and improve the sweep efficiency of oil during EOR process using this method.

  1. Thin Film Deposition of Conducting Polymers and Carbon Allotropes via Interfacial Solution Processing and Evaporative Vapor Phase Polymerization

    OpenAIRE

    D'Arcy, Julio Marcelo

    2012-01-01

    A new solution processing technique is developed for depositing continuously conductive transparent thin films comprised of conducting polymer nanostructures. The deposition mechanism is driven by interfacial surface tension gradients leading to rapid directional fluid flow known as the Marangoni effect. This technique is a universal solution to thin film deposition for coating any type of substrate at ambient conditions within seconds. The versatility of this method of deposition is further ...

  2. Free-radical-induced chain scission and cross-linking of polymers in aqueous solution. An overview

    International Nuclear Information System (INIS)

    Complete text of publication follows. In the radiolysis of N2O-saturated aqueous solutions OH are generated. In their reactions with polymers, they give rise to polymer-derived radicals. The kinetics of the formation and decay of these radicals are reviewed. The rate of reaction of a polymer with a reactive free radical is noticeably lower than that of an equivalent concentration of monomer due to the non-random distribution of the reaction sites. Once a larger number of radicals are formed on one polymer molecule, e.g. upon pulse radiolysis, close-by radicals recombine more rapidly while the more distant ones survive for much longer times than an equivalent concentration of freely diffusing radicals. Intermolecular cross-linking (between two polymer chains, increase in molecular weight) and intramolecular cross-linking (formation of small loops, no increase in polymer weight) are competing processes, and their relative yields thus depend on the dose rate and polymer concentration. Hydrogen-transfer reactions within the polymer, e.g. transformation of a secondary radical into a tertiary one, are common and facilitated by the high local density of reactive sites. Due to repulsive forces, the lifetime of radicals of charged polymers is substantially increased. This enables even relatively slow b-fragmentation reactions to become of importance. In the case of poly(methacrylic acid), where β-fragmentation is comparatively fast, this even leads to an unzipping, and as a consequence of the efficient release of methacrylic acid the situation of equilibrium polymerization is approached. Heterolytic β-fragmentation is possible when adequate leaving groups are available, e.g. in polynucleotides and DNA. In the presence of O2, chain scission occurs via oxyl radicals as intermediates. Some implications for technical applications are discussed

  3. Polymer assisted solution processing of Ti-doped indium oxide transparent conducting thin films for organic solar cells

    International Nuclear Information System (INIS)

    Highlights: • Polymer assisted solution process. • Ti-doped indium oxide (TIO) transparent conducting films. • Replacement of sputtered ITO with polymer-assisted-solution-coated TIO films. • High mobility transparent conducting films. • Application of polymer-assisted-solution-coated TIO films to organic solar cells. - Abstract: We report the preparation and evaluation of Ti-doped indium oxide (TIO) transparent conducting films by a polymer-assisted solution (PAS) process, as well as the evaluation of this type of film as a transparent cathode in an inverted organic solar cell (IOCS). Both Ti- and In-PASs have been synthesized by coordinating Ti- and In-anionic complexes with polyethyleneimine. The final TIO–PAS was formed by mixing Ti-PAS into In-PAS with a Ti concentration between 1 at.% and 7 at.%. The TIO–PAS was spin-coated onto glass substrates to form uniform thin films of Ti-doped indium oxide, which were then annealed at high temperature. The optimum Ti concentration to achieve the best electrical and optical properties of PAS–TIO films was found to be 3 at.%. With the film thickness of 650 nm, PAS–TIO films had a sheet resistance of 65 Ω/sq and an optical transmittance greater than 85%. The feasibility of PAS-coated TIO thin film as a transparent electrode was evaluated by applying it to the fabrication of IOSCs, which showed the energy conversion efficiency of 4.60%

  4. Investigation of optical spacer layers from solution based precursors for polymer solar cells using X-ray reflectometry

    DEFF Research Database (Denmark)

    Andersen, Philip Hvidthøft Delff; Skårhøj, Jakob; Andreasen, Jens Wenzel;

    2009-01-01

    Optical spacer layers based on titaniumalkoxide precursor solutions were prepared by spin-coating on top of bulk heterojunction layers based on poly-3-hexylthiophene (P3HT) and phenyl-C61-butyric acid methylester (PCBM). Models and experiment have shown that the performance of polymer solar cells...

  5. Dual Function Behavior of Carbon Fiber-Reinforced Polymer in Simulated Pore Solution

    Directory of Open Access Journals (Sweden)

    Ji-Hua Zhu

    2016-02-01

    Full Text Available The mechanical and electrochemical performance of carbon fiber-reinforced polymer (CFRP were investigated regarding a novel improvement in the load-carrying capacity and durability of reinforced concrete structures by adopting CFRP as both a structural strengthener and an anode of the impressed current cathodic protection (ICCP system. The mechanical and anode performance of CFRP were investigated in an aqueous pore solution in which the electrolytes were available to the anode in a cured concrete structure. Accelerated polarization tests were designed with different test durations and various levels of applied currents in accordance with the international standard. The CFRP specimens were mechanically characterized after polarization. The measured feeding voltage and potential during the test period indicates CFRP have stable anode performance in a simulated pore solution. Two failure modes were observed through tensile testing. The tensile properties of the post-polarization CFRP specimens declined with an increased charge density. The CFRP demonstrated success as a structural strengthener and ICCP anode. We propose a mathematic model predicting the tensile strengths of CFRP with varied impressed charge densities.

  6. Separation and quantification of viral double-stranded RNA fragments by capillary electrophoresis in hydroxyethylcellulose polymer solutions.

    Science.gov (United States)

    Shambaugh, C L; Bodmer, J L; Hsu, D; Ranucci, C S

    2004-10-01

    Capillary electrophoresis (CE) is an analytical technique widely utilized to resolve complex mixtures of nucleic acids. CE uses a variety of polymers in solution that act as a molecular sieve to separate nucleic acid fragments according to size. It has been shown previously that purified dsDNA can be resolved efficiently by solutions of hydroxyethylcellulose (HEC) polymer, providing a rapid and high resolution method of separation. We have applied this separation technique to viral double-stranded (ds) RNA segments derived from rotavirus process samples. HEC polymers of various molecular masses and concentrations were identified and compared for their ability to separate dsRNA based on the extent of expected polymer network formation. The HEC polymer exhibiting the most desirable separation characteristics was then used for subsequent optimization of various method parameters, such as, injection time, electric field strength, dye concentration and capillary equilibration. The optimized method was then applied to the quantification of genome concentration based on a representative segment of the rotavirus genome. This study demonstrated that purified viral dsRNA material of known concentration could be used to generate an external standard curve relating concentration to peak area. This standard curve was used to determine the concentration of unknown samples by interpolation. This novel RNA quantification assay is likely to be applicable to other types of virus, including those containing dsDNA.

  7. Solution-processed low dimensional nanomaterials with self-assembled polymers for flexible photo-electronic devices (Presentation Recording)

    Science.gov (United States)

    Park, Cheolmin

    2015-09-01

    Self assembly driven by complicated but systematic hierarchical interactions offers a qualified alternative for fabricating functional micron or nanometer scale pattern structures that have been potentially useful for various organic and nanotechnological devices. Self assembled nanostructures generated from synthetic polymer systems such as controlled polymer blends, semi-crystalline polymers and block copolymers have gained a great attention not only because of the variety of nanostructures they can evolve but also because of the controllability of these structures by external stimuli. In this presentation, various novel photo-electronic materials and devices are introduced based on the solution-processed low dimensional nanomaterials such as networked carbon nanotubes (CNTs), reduced graphene oxides (rGOs) and 2 dimensional transition metal dichalcogenides (TMDs) with self assembled polymers including field effect transistor, electroluminescent device, non-volatile memory and photodetector. For instance, a nanocomposite of networked CNTs and a fluorescent polymer turned out an efficient field induced electroluminescent layer under alternating current (AC) as a potential candidate for next generation displays and lightings. Furthermore, scalable and simple strategies employed for fabricating rGO as well as TMD nanohybrid films allowed for high performance and mechanically flexible non-volatile resistive polymer memory devices and broad band photo-detectors, respectively.

  8. Polymer electronics

    CERN Document Server

    Hsin-Fei, Meng

    2013-01-01

    Polymer semiconductor is the only semiconductor that can be processed in solution. Electronics made by these flexible materials have many advantages such as large-area solution process, low cost, and high performance. Researchers and companies are increasingly dedicating time and money in polymer electronics. This book focuses on the fundamental materials and device physics of polymer electronics. It describes polymer light-emitting diodes, polymer field-effect transistors, organic vertical transistors, polymer solar cells, and many applications based on polymer electronics. The book also disc

  9. A simple experiment to determine the activation energy of the viscous flow of polymer solutions using a glass capillary viscometer

    Science.gov (United States)

    Rohindra, D. R.; Lata, R. A.; Coll, R. K.

    2012-09-01

    A simple viscometry experiment undertaken by an undergraduate polymer class as a research project is described. Viscosity is a measure of a fluid's resistance to flow and is affected by several factors, such as concentration and temperature. In this experiment, the viscosities of polyvinylpyrrolidone solutions (a polymeric material) of different concentrations were prepared in water and measured at various temperatures. The solution viscosity was found to increase gradually with increasing concentration up to ∼5 mass%, with a dramatic increase after this. The calculated viscosity of water at different temperatures was comparable to reported values. The activation energy of viscous flow (Ea) of the different solutions was calculated and followed a similar trend as that for the viscosities of solutions of various concentrations. This experiment allowed students to better understand and explain the behaviour of macromolecules with respect to changing concentration and temperature. Furthermore, students correlated the viscosity and Ea results to understand how an increase in the concentration of a polymer solution resulted in increased entanglement of the polymer chains, consequently leading to an increase in viscosity and an increase in the activation energy of viscous flow. This experiment is safe, low cost, simple and requires only readily available apparatus.

  10. Solution processing of polymer semiconductor: Insulator blends-Tailored optical properties through liquid-liquid phase separation control

    KAUST Repository

    Hellmann, Christoph

    2014-12-17

    © 2014 Wiley Periodicals, Inc. It has been demonstrated that the 0-0 absorption transition of poly(3-hexylthiophene) (P3HT) in blends with poly(ethylene oxide) (PEO) could be rationally tuned through the control of the liquid-liquid phase separation process during solution deposition. Pronounced J-like aggregation behavior, characteristic for systems of a low exciton band width, was found for blends where the most pronounced liquid-liquid phase separation occurred in solution, leading to domains of P3HT and PEO of high phase purity. Since liquid-liquid phase separation could be readily manipulated either by the solution temperature, solute concentration, or deposition temperature, to name a few parameters, our findings promise the design from the out-set of semiconductor:insulator architectures of pre-defined properties by manipulation of the interaction parameter between the solutes as well as the respective solute:solvent system using classical polymer science principles.

  11. Analytical and equivalent-circuit models based on numerical solutions for amorphous silicon p/i/n solar cells

    Science.gov (United States)

    Misiakos, K.; Lindholm, F. A.

    The authors present contact-to-contact computer solutions of the a-Si:H p/i/n solar cell and uses these to obtain the approximations and insight needed for the development of analytical models. The numerical results allow study of many aspects of internal variables as functions of position, terminal voltage, and phonon flux density. Based on the numerical results, analytical and equivalent-circuit models are proposed which support each other and explain the physical origin of interdependencies among such variables as quantum efficiency, electric field and recombination rate profiles, and their relation to current-voltage characteristics. The concept of the limiting carrier is mathematically treated by separating the current into photocollected and back-injection components. The limiting carrier is the carrier with the least photocollected current.

  12. Application des techniques de diffusion de la lumière des rayons x et des neutrons à l'étude des systèmes colloïdaux. Deuxième partie : étude des différents systèmes : polymères en solution à l'état solide, solutions micellaires, systèmes fractals Application of Light, X-Ray and Neutron Diffusion Techniques to the Study of Colloidal Systems. Part Two: Research on Different Systems: Polymers in Solution in the Solid State, Micellar Solutions, Fractals Systems

    Directory of Open Access Journals (Sweden)

    Espinat D.

    2006-11-01

    Full Text Available Cet article fait suite à la première partie (Revue Inst. Franç. du Pétrole, vol. 45, n°6, novembre-décembre 1990 concernant l'application des techniques de diffusion de la lumière, des rayons X et des neutrons à l'étude des systèmes colloïdaux et plus précisément à la présentation théorique des trois méthodes. L'objet de cette deuxième partie est la présentation non exhaustive de quelques domaines d'applications. Nous nous attacherons tout particulièrement à présenter les potentialités des méthodes pour la caractérisation de systèmes colloïdaux ou divisés rencontrés dans de nombreuses branches d'activité de l'industrie pétrolière. Nous aborderons dans une première partie les solutions polymériques et colloïdales. En particulier nous nous attarderons sur l'importance des techniques de diffusion pour la caractérisation des polymères en solution et des solutions micellaires. Nous verrons également quelles informations la diffusion centrale peut apporter sur la macrostructure des polymères cristallisés ou amorphes à l'état solide. De nombreux systèmes présentent une structure de type fractal ; après présentation de quelques exemples, nous montrerons que les méthodes de diffusion peuvent apporter certaines informations sur ces matériaux, notamment la dimension fractale. This article is the second one (the first one was published in Revue de l'Institut Français du Pétrole No. 6, NovemberDecember 1990 concerning the application of techniques of light scattering, X rays and neutrons to the analysis of colloidal systems and more specifically to the theoretical description of the three methods. The aim of this second part is to make a nonexhaustive description of several fields of applications. A special effort is made to describe the potential of these methods for characterizing colloidal or divided systems encountered in a great many activities involving the petroleum industry. The first part of this

  13. Improvement of bias-stability in amorphous-indium-gallium-zinc-oxide thin-film transistors by using solution-processed Y2O3 passivation

    International Nuclear Information System (INIS)

    We demonstrate back channel improvement of back-channel-etch amorphous-indium-gallium-zinc-oxide (a-IGZO) thin-film transistors by using solution-processed yttrium oxide (Y2O3) passivation. Two different solvents, which are acetonitrile (35%) + ethylene glycol (65%), solvent A and deionized water, solvent B are investigated for the spin-on process of the Y2O3 passivation—performed after patterning source/drain (S/D) Mo electrodes by a conventional HNO3-based wet-etch process. Both solvents yield devices with good performance but those passivated by using solvent B exhibit better light and bias stability. Presence of yttrium at the a-IGZO back interface, where it occupies metal vacancy sites, is confirmed by X-ray photoelectron spectroscopy. The passivation effect of yttrium is more significant when solvent A is used because of the existence of more metal vacancies, given that the alcohol (65% ethylene glycol) in solvent A may dissolve the metal oxide (a-IGZO) through the formation of alkoxides and water

  14. Development of Novel Method for Rapid Extract of Radionuclides from Solution Using Polymer Ligand Film

    Science.gov (United States)

    Rim, Jung H.

    Accurate and fast determination of the activity of radionuclides in a sample is critical for nuclear forensics and emergency response. Radioanalytical techniques are well established for radionuclides measurement, however, they are slow and labor intensive, requiring extensive radiochemical separations and purification prior to analysis. With these limitations of current methods, there is great interest for a new technique to rapidly process samples. This dissertation describes a new analyte extraction medium called Polymer Ligand Film (PLF) developed to rapidly extract radionuclides. Polymer Ligand Film is a polymer medium with ligands incorporated in its matrix that selectively and rapidly extract analytes from a solution. The main focus of the new technique is to shorten and simplify the procedure necessary to chemically isolate radionuclides for determination by alpha spectrometry or beta counting. Five different ligands were tested for plutonium extraction: bis(2-ethylhexyl) methanediphosphonic acid (H2DEH[MDP]), di(2-ethyl hexyl) phosphoric acid (HDEHP), trialkyl methylammonium chloride (Aliquat-336), 4,4'(5')-di-t-butylcyclohexano 18-crown-6 (DtBuCH18C6), and 2-ethylhexyl 2-ethylhexylphosphonic acid (HEH[EHP]). The ligands that were effective for plutonium extraction further studied for uranium extraction. The plutonium recovery by PLFs has shown dependency on nitric acid concentration and ligand to total mass ratio. H2DEH[MDP] PLFs performed best with 1:10 and 1:20 ratio PLFs. 50.44% and 47.61% of plutonium were extracted on the surface of PLFs with 1M nitric acid for 1:10 and 1:20 PLF, respectively. HDEHP PLF provided the best combination of alpha spectroscopy resolution and plutonium recovery with 1:5 PLF when used with 0.1M nitric acid. The overall analyte recovery was lower than electrodeposited samples, which typically has recovery above 80%. However, PLF is designed to be a rapid field deployable screening technique and consistency is more important

  15. ``Living polymers'' in organic solvents : stress relaxation in bicopper tetracarboxylate/tert-butyl cyclohexane solutions

    Science.gov (United States)

    Terech, P.; Maldivi, P.; Dammer, C.

    1994-10-01

    Viscoelastic solutions of a bicopper tetracarboxylate complex in tert-butylcyclohexane have been studied by dynamic rheology in a wide range of concentrations (0.5-1.5 % volume fraction). The zero shear viscosity, the elastic modulus, the terminal stress relaxation time and the height of the high-frequency dip, in a Cole-Cole representation of the complex elastic modulus, follow scaling laws. The related exponents are discussed in the context of the physics of “living polymers” : a term used to describe worm-like species undergoing scission/recombination reactions competing mainly with the reptation motions of the chains. The current system, made up of molecular threads (17.5 Å diameter) of Cu2(O2C-CH(C2H5)C4H9)4 in the apolar solvent, is representative of a “living polymer” where, instead of mechanisms involving transient star polymeric crosslinks, a reversible scission mechanism prevails. The dynamics in the high-frequency range evolves from a regime where reptation is the dominant relaxation mechanism to a cross-over regime where “breathing” fluctuations and Rouse motions become important. Large modifications of the stress relaxation function occur for more concentrated systems. The binary system is the first example of a “living polymer” in an organic solvent and exhibits elastic moduli (G ≈ ca. 120 Pa à φ = 1 %) which are at least 20 times larger than those found for the aqueous “living polymer” systems. Les solutions viscoélastiques d'un tétracarboxylate binucléaire de cuivre dans le tert-butylcyclohexane sont étudiées par rhéologie en mode dynamique dans une gamme étendue de concentrations (0,5 %-15,5 %). La viscosité à gradient nul, le module élastique, le temps terminal de relaxation et la hauteur du puits à haute fréquence, dans une représentation Cole-Cole du module élastique complexe, suivent des lois d'échelles. Les exposants correspondants sont discutés dans le contexte de la physique des “polymères vivants

  16. Influence of Viscoelasticity Behavior on Liquid Film Surface Appearance in Multilayered Polymer Solution

    Science.gov (United States)

    Nakamura, Naoki; Yamazaki, Hidekazu; Yokoyama, Atsushi

    In this study, through using three-layer channels and polymer solution, it is aimed to evaluate the influence that the flow condition (flow rate, shape of channel and solution property) in the channel exerts on the liquid film surface appearance immediately after the discharge, and to clarify the rule factor in which it influences the liquid film surface appearance. Experiments were conducted by taking pictures of the bead surface appearance immediately after the discharge with a high-speed camera by using three-layer channels where the change in the merging point shape was possible. As a result of the examination, the following results were obtained. (1) As a result of the observation of surface, it is understood a peculiar surface ruggedness (thickness irregularity) is generated when the viscoelastic fluid is used in the direction of the liquid film discharge different from Melt fracture and Sharkskin. It is thought that this irregular thickness is a peculiar phenomenon to the viscoelastic fluid, because when Newtonian fluid is injected, this irregular thickness is not generated, and it is suppressed because of increased residence time in channel. (2) The factor separation between layers is done at an irregular thickness to specify the rule factor, therefore it has been understood that the correlation is strong in the first normal stress difference generated in the sub-fluid when merging for the incidence of this irregular thickness. Concretely, it is understood that the thickness irregular incidence increases as the first normal stress difference generated in the sub-fluid when merging grows. Moreover, the influence of the main-fluid on the incidence of an irregular thickness in this system is understood to be negligible.

  17. Oral salt supplements to compensate for jejunostomy losses: comparison of sodium chloride capsules, glucose electrolyte solution, and glucose polymer electrolyte solution.

    OpenAIRE

    Nightingale, J M; Lennard-Jones, J E; Walker, E. R.; Farthing, M J

    1992-01-01

    Six patients with jejunostomies and residual jejunal lengths of 105 to 250 cm took the same food and water each day for eight study days. In random order, three methods of salt replacement were tested, each over 48 hours, against a period without added salt. During the three test periods the patients took 120 mmol of sodium chloride daily, as salt in gelatine capsules, as an isotonic glucose electrolyte (280 mOsmol/kg; 30 kcal) solution, and as a glucose polymer (Maxijul) solution (280 mOsmol...

  18. Polymer-supported solution synthesis of blue luminescent BaMgAl10O17:Eu2+ particles

    International Nuclear Information System (INIS)

    A blue phosphor, europium doped barium magnesium aluminate (BaMgAl10O17:Eu2+) 200-300 nm in size, has been synthesized via a solution phase method using a mixture of metal hydroxide with metal chloride as the precursor source. A water-soluble polymer of high molecular weight was used in the synthesis process. The effects of polymer media and heating treatments on the physical and optical properties such as crystallinity and photoluminescence of particles were investigated. Activation of the luminescence center under a reducing atmosphere has been accomplished concurrently with crystal growth. Photoluminescent (PL) emission spectra of particles centered around 450 nm when using a 254 nm excitation wavelength. The polymer potentially prevents agglomeration and enhances the PL emission of the particles

  19. Inorganic-organic hybrid polymers: Solution-processible coating materials for defined surface functionalization

    OpenAIRE

    Keßler, Daniel

    2009-01-01

    A new class of inorganic-organic hybrid polymers could successfully been prepared by the combination of different polymerization techniques. The access to a broad range of organic polymers incorporated into the hybrid polymer was realized using two independent approaches.rnIn the first approach a functional poly(silsesquioxane) (PSSQ) network was pre-formed, which was capable to initiate a controlled radical polymerization to graft organic vinyl-type monomers from the PSSQ precursor. As contr...

  20. Self-Assembly of Telechelic Tyrosine End-Capped PEO and Poly(alanine) Polymers in Aqueous Solution.

    Science.gov (United States)

    Kirkham, Steven; Castelletto, Valeria; Hamley, Ian William; Reza, Mehedi; Ruokolainen, Janne; Hermida-Merino, Daniel; Bilalis, Panayiotis; Iatrou, Hermis

    2016-03-14

    The self-assembly in aqueous solution of three novel telechelic conjugates comprising a central hydrophilic polymer and short (trimeric or pentameric) tyrosine end-caps has been investigated. Two of the conjugates have a central poly(oxyethylene) (polyethylene oxide, PEO) central block with different molar masses. The other conjugate has a central poly(L-alanine) (PAla) sequence in a purely amino-acid based conjugate. All three conjugates self-assemble into β-sheet based fibrillar structures, although the fibrillar morphology revealed by cryogenic-TEM is distinct for the three polymers--in particular the Tyr5-PEO6k-Tyr5 forms a population of short straight fibrils in contrast to the more diffuse fibril aggregates observed for Tyr5-PEO2k-Tyr5 and Tyr3-PAla-Tyr3. Hydrogel formation was not observed for these samples (in contrast to prior work on related systems) up to quite high concentrations, showing that it is possible to prepare solutions of peptide-polymer-peptide conjugates with hydrophobic end-caps without conformational constraints associated with hydrogelation. The Tyr5-PEO6k-Tyr5 shows significant PEO crystallization upon drying in contrast to the Tyr5-PEO2k-Tyr5 conjugate. Our findings point to the remarkable ability of short hydrophobic peptide end groups to modulate the self-assembly properties of polymers in solution in model peptide-capped "associative polymers". Retention of fluidity at high conjugate concentration may be valuable in potential future applications of these conjugates as bioresponsive or biocompatible materials, for example exploiting the enzyme-responsiveness of the tyrosine end-groups. PMID:26867986

  1. Activation energy for mobility of dyes and proteins in polymer solutions: from diffusion of single particles to macroscale flow.

    Science.gov (United States)

    Sozański, Krzysztof; Wiśniewska, Agnieszka; Kalwarczyk, Tomasz; Hołyst, Robert

    2013-11-27

    We measure the activation energy Ea for the diffusion of molecular probes (dyes and proteins of radii from 0.52 to 6.9 nm) and for macroscopic flow in a model complex liquid-aqueous solutions of polyethylene glycol. We cover a broad range of polymer molecular weights, concentrations, and temperatures. Fluorescence correlation spectroscopy and rheometry experiments reveal a relationship between the excess of the activation energy in polymer solutions over the one in pure solvent ΔEa and simple parameters describing the structure of the system: probe radius, polymer hydrodynamic radius, and correlation length. ΔEa varies by more than an order of magnitude in the investigated systems (in the range of ca. 1-15 kJ/mol) and for probes significantly larger than the polymer hydrodynamic radius approaches the value measured for macroscopic flow. We develop an explicit formula describing the smooth transition of ΔEa from the diffusion of molecular probes to macroscopic flow. This formula is a reference for the quantitative analysis of specific interactions of moving nano-objects with their environment as well as active transport. For instance, the power developed by a molecular motor moving at constant velocity u is proportional to u2exp(Ea/RT).

  2. A Modified Mixing Rule for PSRK Model and Application for the Prediction of Vapor-Liquid Equilibria of Polymer Solutions

    Institute of Scientific and Technical Information of China (English)

    李敏; 王利生; J.Gmehling

    2004-01-01

    To extend the PSRK (predictive Soave-Redlich-Kwong equation of state) model to vapor-liquid equilibria of polymer solutions, a new EOS-gE mixing rule is applied in which the term ∑xiln(b/bi) in the PSRK mixing rule for the parameter a, and the combinatorial part in the original universal functional activity coefficient (UNIFAC) model are cancelled. To take into account the free volume contribution to the excess Gibbs energy in polymer solution, a quadratic mixing rule for the cross co-volume bij with an exponent equals to 1/2 is applied [bij1/2=1/2(bi1/2+bj1/2)]. The literature reported Soave-Redlich-Kwong equation of state (SRK EOS) parameters of i3 - 2- pure polymer are employed. The PSRK model with the modified mixing rule is used to predict the vapor-liquid equilibrium (VLE) of 37 solvent-polymer systems over a large range of temperature and pressure with satisfactory results.

  3. Spinning process variables and polymer solution effects in the die-swell phenomenon during hollow fiber membranes formation

    Directory of Open Access Journals (Sweden)

    Pereira C.C.

    2000-01-01

    Full Text Available During hollow fiber spinning many variables are involved whose effects are still not completely clear. However, its understanding is of great interest because the control of these variables may originate membranes with the desired morphologies and physical properties. In this work, the phase inversion process induced by the immersion precipitation technique was applied to prepare hollow fibers membranes. It was verified that some of the variables involved, can promote a visco-elastic polymer solution expansion, called die-swell phenomenon, which is undesired since it may lead to low reproducibility of the permeation properties. The effects of the distance between spinneret and precipitation bath, the bore liquid composition, and the polymer solution composition were analyzed and discussed in order to avoid this phenomenon. According to the results, it was verified that the parameters investigated might promote a delay precipitation, which restrained the visco-elastic expansion.

  4. Imprinting of Phenylalanine ethyl ester in cyclodextrin polymers in aqueous solution

    DEFF Research Database (Denmark)

    Detcheva, Anna Hr.; Yu, Donghong; Larsen, Kim Lambertsen

    During the last decades there has been a wide interest of developing molecularly imprinted polymers, which selectively can recognize small molecules. Cyclodextrins offer relatively strong binding site of a wide range of small molecules in water and molecular imprinted polymers of these have previ...

  5. Polymers and surfactants in solution and at interfaces : a model study on detergency

    NARCIS (Netherlands)

    Torn, L.H.

    2000-01-01

    This thesis deals with detergency-related adsorption phenomena of (mixtures of) polymers and surfactants. Both types of molecules play an important role in the removal and subsequent stabilization of soil from a substrate. Starting with a model detergency system consisting of polymers, surfactants,

  6. Research on the structure in solution of optically active synthetic polymers (propylene polysulphide, propylene polyoxide, tertio-butyl polysulphide)

    International Nuclear Information System (INIS)

    It was proposed to study the structure of sulphur-containing synthetic polymers, stereo-regular, optically active in solution and able to adopt a spiral conformation, with special reference to propylene polysulphide. Two methods were used, the first mathematical (conformational energy calculations) and the second physico-chemical, essentially spectroscopic. By conformational analysis it is possible to choose the most probable structures liable to be adopted by a given polymer in solution while the spectro-polarimetric study should, in principle, invalidate or confirm certain of these hypotheses. The conformational energy calculations showed that in fact there is no energy conformation low enough to be stable in solution. Strictly speaking however we can refer to a region of stability in which steric hindrance is low and many energy minima exist. These minima are indistinguishable both by their energy values and by their spatial localizations and are all enclosed in the region bounded by the barriers due to steric hindrance. This uncertainty does not arise from approximations made in the calculations, but from the multitude of stereochemical structure possible. Investigations into the variation of the optical rotary dispersion and the circular dichroism as a function of temperature indicated the existence of three or more equilibrium states in the dioxane. The spectra appear to be the summation of the optical activities of the numerous simultaneously possible conformations. It appears that polymers, such as propylene polysulphide or propylene polyoxide do not have stable structures in solution. These are molecules of great flexibility possessing a large number of degrees of freedom. These properties distinguish them from the natural polymers, carrying precise information, such as DNA which must consequently have stable conformations. (author)

  7. Sorption of 2-Chlorophenol from aqueous solutions by functionalized cross-linked polymers

    Directory of Open Access Journals (Sweden)

    Rodrigo Martins Fráguas

    2013-01-01

    Full Text Available This manuscript describes the synthesis of three polymers based on styrene (STY, divinylbenzene (DVB and two different vinyl monomers: methyl methacrylate (MMA and acrylonitrile (AN. The STY-DVB, STY-DVB-MMA and STY-DVB-AN polymers were synthesized employing the aqueous suspension technique. Reaction yields were 73%, 81% and 75%, respectively. They were morphological and chemically characterized using different techniques. The extraction capacity of the polymers was evaluated using 2-chlorophenol. The polymer extraction capacities were evaluated varying contact time the (1 h, 3 h and 5 h, temperature (30 °C, 35 °C and 40 °C, and pH (3, 5.6 and 8. The STY-DVB-AN polymer was the most efficient; it removed around 95% of the analyte using a contact time 50 h.

  8. Influence of shear on globule formation in dilute solutions of flexible polymers

    Science.gov (United States)

    Radhakrishnan, Rangarajan; Underhill, Patrick T.

    2015-04-01

    Polyelectrolytes, polymers in poor solvents, polymers mixed with particles, and other systems with attractions and repulsions show formation of globules/structures in equilibrium or in flow. To study the flow behavior of such systems, we developed a simple coarse-grained model with short ranged attractions and repulsions. Polymers are represented as charged bead-spring chains and they interact with oppositely charged colloids. Neglecting hydrodynamic interactions, we study the formation of compact polymer structures called globules. Under certain conditions, increase in shear rate decreases the mean first passage time to form a globule. At other conditions, shear flow causes the globules to breakup, similar to the globule-stretch transition of polymers in poor solvents.

  9. Determination of the interaction parameter and topological scaling features of symmetric star polymers in dilute solution

    KAUST Repository

    Rai, Durgesh K.

    2015-07-15

    Star polymers provide model architectures to understand the dynamic and rheological effects of chain confinement for a range of complex topological structures like branched polymers, colloids, and micelles. It is important to describe the structure of such macromolecular topologies using small-angle neutron and x-ray scattering to facilitate understanding of their structure-property relationships. Modeling of scattering from linear, Gaussian polymers, such as in the melt, has applied the random phase approximation using the Debye polymer scattering function. The Flory-Huggins interaction parameter can be obtained using neutron scattering by this method. Gaussian scaling no longer applies for more complicated chain topologies or when chains are in good solvents. For symmetric star polymers, chain scaling can differ from ν=0.5(df=2) due to excluded volume, steric interaction between arms, and enhanced density due to branching. Further, correlation between arms in a symmetric star leads to an interference term in the scattering function first described by Benoit for Gaussian chains. In this work, a scattering function is derived which accounts for interarm correlations in symmetric star polymers as well as the polymer-solvent interaction parameter for chains of arbitrary scaling dimension using a hybrid Unified scattering function. The approach is demonstrated for linear, four-arm and eight-arm polyisoprene stars in deuterated p-xylene.

  10. Effects of Polybenzoxazine on Shape Memory Properties of Polyurethanes with Amorphous and Crystalline Soft Segments

    Directory of Open Access Journals (Sweden)

    Senlong Gu

    2014-04-01

    Full Text Available This paper evaluates the role of minor component polybenzoxazine (PB on shape-memory properties of polyurethanes (PU with glassy and crystalline soft segments. The polymer compounds were prepared in two steps. In the first step, benzoxazine, polyurethane pre-polymer, and chain extender butanediol (BD were mixed into a solution followed by chain-extension of the pre-polymer with BD. In the second step, benzoxazine was polymerized at 180 °C for 3 h to obtain shape memory polymer compounds. The atomic force microscopy images revealed that the PB-phase formed uniform dispersions in PU. The presence of PB-phase induced shape-memory behavior in non-shape memory PU with amorphous soft segment and significantly improved the values of shape fixity, recovery ratio, and recovery stress in shape memory polyurethane with crystalline soft segment.

  11. Manipulating hybrid structures of polymer/a-Si for thin film solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Ying; He, Zhiqun, E-mail: zhqhe@bjtu.edu.cn, E-mail: J.I.B.Wilson@hw.ac.uk; Zhang, Zhi; Liang, Chunjun [Key Laboratory of Luminescence and Optical Information, Ministry of Education, Institute of Optoelectronic Technology, Beijing Jiaotong University, Beijing 100044 (China); Diyaf, Adel; Ivaturi, Aruna; Wilson, John I. B., E-mail: zhqhe@bjtu.edu.cn, E-mail: J.I.B.Wilson@hw.ac.uk [SUPA, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)

    2014-03-10

    A series of uniform polymer/amorphous silicon hybrid structures have been fabricated by means of solution-casting for polymer and radio frequency excited plasma enhanced chemical vapour deposition for amorphous silicon (a-Si:H). Poly(3,4-ethylene dioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) functioned as a photoactive donor, while the silicon layer acted as an acceptor. It is found that matching the hole mobility of the polymer to the electron mobility of amorphous silicon is critical to improve the photovoltaic performance from hybrid cells. A three-layer p-i-n structure of ITO/PEDOT:PSS(200 nm)/i-Si(450 nm)/n-Si(200 nm)/Al with a power conversion efficiency of 4.78% under a standard test condition was achieved.

  12. Structure Elucidation of Poly-Faldaprevir: Polymer Backbone Solved Using Solid-State and Solution Nuclear Magnetic Resonance Spectroscopy.

    Science.gov (United States)

    Gonnella, Nina C; Busacca, Carl A; Zhang, Li; Saha, Anjan; Wu, Jiang-Ping; Li, Guisheng; Davis, Mark; Offerdahl, Thomas; Jones, Paul-James; Herfurth, Lars; Reddig, Tim; Wagner, Klaus; Niemann, Michael; Werthmann, Ulrike; Grupe, Julia; Roos, Helmut; Reckzügel, Gaby; Ding, Andreas

    2016-06-01

    A large-scale synthesis of the hepatitis C virus drug Faldaprevir revealed precipitation of an unknown insoluble solid from methanol solutions of the drug substance. The unknown impurity was determined to be a polymer of Faldaprevir based on analytical methods that included size exclusion chromatography in combination with electrospray ionization mass spectrometry, solution nuclear magnetic resonance (NMR), matrix-assisted laser desorption ionization-time of flight, ultracentrifugation, elemental analysis, and sodium quantitation by atom absorption spectroscopy. Structure elucidation of the polymeric backbone was achieved using solid-state NMR cross-polarization/magic angle spinning (CP/MAS), cross polarization-polarization inversion, and heteronuclear correlation (HETCOR) experiments. The polymerization was found to occur at the vinyl cyclopropane via a likely free radical initiation mechanism. Full proton and carbon chemical shift assignments of the polymer were obtained using solution NMR spectroscopy. The polymer structure was corroborated with chemical synthesis of the polymer and solution NMR analysis. PMID:27238486

  13. Solution-processed cathode interfacial layer materials for high-efficiency polymer solar cells

    OpenAIRE

    Biao Xiao; Hongbin Wu; Yong Cao

    2015-01-01

    Polymer solar cells (PSCs) are a new type of renewable energy source currently being extensively investigated due to perceived advantages; such as being lightweight, low-cost and because of the unlimited materials resource. The power conversion efficiency of state-of-the-art PSCs has increased dramatically in the past few years, obtained mainly through the development of new electron donor polymers, acceptors, and novel device structures through the use of various electrode interfacial materi...

  14. Polymers and surfactants in solution and at interfaces : a model study on detergency

    OpenAIRE

    Torn, L.H.

    2000-01-01

    This thesis deals with detergency-related adsorption phenomena of (mixtures of) polymers and surfactants. Both types of molecules play an important role in the removal and subsequent stabilization of soil from a substrate. Starting with a model detergency system consisting of polymers, surfactants, soil and a substrate, a division is made into a set of sub-systems, each focusing on the interactions of two or more of these model components.The first chapter gives a short introduction on the ty...

  15. Xanthate-Functional Temperature-Responsive Polymers: Effect on Lower Critical Solution Temperature Behavior and Affinity toward Sulfide Surfaces.

    Science.gov (United States)

    Ng, Wei Sung; Forbes, Elizaveta; Franks, George V; Connal, Luke A

    2016-08-01

    Xanthate-functional polymers represent an exciting opportunity to provide temperature-responsive materials with the ability to selectively attach to specific metals, while also modifying the lower critical solution temperature (LCST) behavior. To investigate this, random copolymers of poly(N-isopropylacrylamide) (PNIPAM) with xanthate incorporations ranging from 2 to 32% were prepared via free radical polymerization. Functionalization with 2% xanthate increased the LCST by 5 °C relative to the same polymer without xanthate. With increasing xanthate composition, the transition temperature increased and the transition range broadened until a critical composition of the hydrophilic xanthate groups (≥18%) where the transition disappeared completely. The adsorption of the polymers at room temperature onto chalcopyrite (CuFeS2) surfaces increased with xanthate composition, while adsorption onto quartz (SiO2) was negligible. These findings demonstrate the affinity of these functional smart polymers toward copper iron sulfide relative to quartz surfaces, presumably due to the interactions between xanthate and specific metal centers. PMID:27434760

  16. Formation of polymer nanowires through electropolymerization of polybithiophene from mixed electrolyte solutions of tetrabutylammonium hexafluorophosphate and tetrabutylammonium chloride

    Energy Technology Data Exchange (ETDEWEB)

    Kantzas, Trissa T. [Department of Chemistry, University of Western Ontario, London, Ontario N6A 5B7 (Canada); Semenikhin, Oleg A., E-mail: osemenik@uwo.c [Department of Chemistry, University of Western Ontario, London, Ontario N6A 5B7 (Canada)

    2011-04-01

    Preparation of one-dimensional conducting polymer structures such as nanowires and nanotubes require anisotropic growth conditions. Usually, such conditions are achieved by applying a certain template or by patterning the substrate. In this work, we employ a new approach to facilitate the anisotropic growth of electrochemically deposited polybithiophene through variations of the conductivity of the growing material. If the deposited material varies in conductivity, the areas with less conducting material will sustain little or no electrochemical current and only the areas with sufficient conductivity will experience further growth. In this work, the conductivity variations and the resulting anisotropic growth are achieved by performing electropolymerization in mixed electrolyte solutions of tetrabutylammonium hexafluorophosphate and tetrabutylammonium chloride. No growth can be observed in pure tetrabutylammonium chloride because the resulting films are insulating. However, addition of small amounts of tetrabutylammonium hexafluorophosphate was found to selectively activate local nanometer-sized areas of the polymer surface where polymer nanowire growth was observed. The latter was confirmed by atomic-force microscopy (AFM). The local properties of the polymer nanostructures obtained with varying contents of tetrabutylammonium hexafluorophosphate were characterized.

  17. Impact of particle size on interaction forces between ettringite and dispersing comb-polymers in various electrolyte solutions.

    Science.gov (United States)

    Ferrari, Lucia; Kaufmann, Josef; Winnefeld, Frank; Plank, Johann

    2014-04-01

    The inter-particle forces play a fundamental role for the flow properties of a particle suspension in response to shear stresses. In concrete applications, cement admixtures based on comb-polymers like polycarboxylate-ether-based superplasticizer (PCE) are used to control the rheological behavior of the fresh mixtures, as it is negatively impacted by certain early hydration products, like the mineral ettringite. In this work, dispersion forces due to PCE were measured directly at the surface of ettringite crystals in different electrolyte solutions by the means of atomic force microscopy (AFM) applying spherical and sharp silicon dioxide tips. Results show an effective repulsion between ettringite surface and AFM tips for solutions above the IEP of ettringite (pH∼12) and significant attraction in solution at lower pH. The addition of polyelectrolytes in solution provides dispersion forces exclusively between the sharp tips (radius ≈ 10 nm) and the ettringite surface, whereas the polymer layer at the ettringite surface results to be unable to disperse large colloidal probes (radius ≈ 10 μm). A simple modeling of the inter-particle forces explains that, for large particles, the steric hindrance of the studied PCE molecules is not high enough to compensate for the Van der Waals and the attractive electrostatic contributions. Therefore, in cement suspensions the impact of ettringite on rheology is probably not only related to the particle charge, but also related to the involved particle sizes. PMID:24491324

  18. Solution-Processed Donor-Acceptor Polymer Nanowire Network Semiconductors For High-Performance Field-Effect Transistors

    Science.gov (United States)

    Lei, Yanlian; Deng, Ping; Li, Jun; Lin, Ming; Zhu, Furong; Ng, Tsz-Wai; Lee, Chun-Sing; Ong, Beng S.

    2016-04-01

    Organic field-effect transistors (OFETs) represent a low-cost transistor technology for creating next-generation large-area, flexible and ultra-low-cost electronics. Conjugated electron donor-acceptor (D-A) polymers have surfaced as ideal channel semiconductor candidates for OFETs. However, high-molecular weight (MW) D-A polymer semiconductors, which offer high field-effect mobility, generally suffer from processing complications due to limited solubility. Conversely, the readily soluble, low-MW D-A polymers give low mobility. We report herein a facile solution process which transformed a lower-MW, low-mobility diketopyrrolopyrrole-dithienylthieno[3,2-b]thiophene (I) into a high crystalline order and high-mobility semiconductor for OFETs applications. The process involved solution fabrication of a channel semiconductor film from a lower-MW (I) and polystyrene blends. With the help of cooperative shifting motion of polystyrene chain segments, (I) readily self-assembled and crystallized out in the polystyrene matrix as an interpenetrating, nanowire semiconductor network, providing significantly enhanced mobility (over 8 cm2V‑1s‑1), on/off ratio (107), and other desirable field-effect properties that meet impactful OFET application requirements.

  19. [Using Molecular Simulations to Understand Complex Nanoscale Dynamic Phenomena in Polymer Solutions

    Science.gov (United States)

    Smith, Grant

    2004-01-01

    The first half of the project concentrated on molecular simulation studies of the translocation of model molecules for single-stranded DNA through a nanosized pore. This has resulted in the publication, Translocation of a polymer chain across a nanopore: A Brownian dynamics simulation study, by Pu Tian and Grant D. Smith, JOURNAL OF CHEMICAL PHYSICS VOLUME 119, NUMBER 21 1 DECEMBER 2003, which is attached to this report. In this work we carried out Brownian dynamics simulation studies of the translocation of single polymer chains across a nanosized pore under the driving of an applied field (chemical potential gradient) designed to mimic an electrostatic field. The translocation process can be either dominated by the entropic barrier resulted from restricted motion of flexible polymer chains or by applied forces (or chemical gradient). We focused on the latter case in our studies. Calculation of radius of gyration of the translocating chain at the two opposite sides of the wall shows that the polymer chains are not in equilibrium during the translocation process. Despite this fact, our results show that the one-dimensional diffusion and the nucleation model provide an excellent description of the dependence of average translocation time on the chemical potential gradients, the polymer chain length and the solvent viscosity. In good agreement with experimental results and theoretical predictions, the translocation time distribution of our simple model shows strong non-Gaussian characteristics. It is observed that even for this simple tube-like pore geometry, more than one peak of translocation time distribution can be generated for proper pore diameter and applied field strengths. Both repulsive Weeks-Chandler-Anderson and attractive Lennard-Jones polymer-nanopore interaction were studied. Attraction facilitates the translocation process by shortening the total translocation time and dramatically improve the capturing of polymer chain. The width of the translocation

  20. The impact of graphene oxide particles on viscosity stabilization for diluted polymer solutions using in enhanced oil recovery at HTHP offshore reservoirs

    International Nuclear Information System (INIS)

    Over 60% of the original oil in a place (OOIP) is retained in a reservoir after conventional methods have been exploited. Application of enhanced oil recovery (EOR) technology gives an additional chance to get out possibly about 20% more oil from the reservoir. The use of water-soluble polymers improves the water–oil mobility ratio, therefore, the displacement efficiency increased, and leads to enhanced oil recovery. High-molecular-weight polyacrylamide group is widely and successfully used in EOR. But no commercial polymer composition can be used in conditions of high temperature and hardness brine offshore reservoirs yet. To avoid the time consumption and high expense for selection and synthesis of the appropriate-structural polymer for EOR application, we attempt to find additives to enhance the thermal stability of polymer solutions. In this paper, we report the results of improved viscosity stability of diluted polymer/seawater solutions aged at reservoir conditions for 31days by adding graphite-oxide particles (GOs). In the presence of 300 ppm of GOs, the viscosity stability of 1700 ppm acrylamide-based polymer in sea water solution increases from 92 °C to 135 °C. FESEM pictures show good distribution of GOs in polymer network, which is a result of integration of functional groups in GOs surfaces and hydrophilic polymer chains. (paper)

  1. The impact of graphene oxide particles on viscosity stabilization for diluted polymer solutions using in enhanced oil recovery at HTHP offshore reservoirs

    Science.gov (United States)

    Dung Nguyen, Ba; Kien Ngo, Trung; Bui, Truong Han; Khanh Pham, Duy; Loc Dinh, Xuan; Nguyen, Phuong Tung

    2015-03-01

    Over 60% of the original oil in a place (OOIP) is retained in a reservoir after conventional methods have been exploited. Application of enhanced oil recovery (EOR) technology gives an additional chance to get out possibly about 20% more oil from the reservoir. The use of water-soluble polymers improves the water-oil mobility ratio, therefore, the displacement efficiency increased, and leads to enhanced oil recovery. High-molecular-weight polyacrylamide group is widely and successfully used in EOR. But no commercial polymer composition can be used in conditions of high temperature and hardness brine offshore reservoirs yet. To avoid the time consumption and high expense for selection and synthesis of the appropriate-structural polymer for EOR application, we attempt to find additives to enhance the thermal stability of polymer solutions. In this paper, we report the results of improved viscosity stability of diluted polymer/seawater solutions aged at reservoir conditions for 31days by adding graphite-oxide particles (GOs). In the presence of 300 ppm of GOs, the viscosity stability of 1700 ppm acrylamide-based polymer in sea water solution increases from 92 °C to 135 °C. FESEM pictures show good distribution of GOs in polymer network, which is a result of integration of functional groups in GOs surfaces and hydrophilic polymer chains.

  2. Corrosion at the Polymer-Metal Interface in Artificial Seawater Solutions

    Directory of Open Access Journals (Sweden)

    Amelia M. Anderson-Wile

    2012-01-01

    Full Text Available Polymer components for liquid sealing applications are employed in a variety of potentially corrosive environments, such as seawater. Frequently, corrosion of the metal is found at or adjacent to the rubber-metal interface rather than at a noncontact area. The corrosion of different metal alloys (titanium, bronze, nickel, aluminum, 316 stainless steel, and 4130 steel in combination with rubber O-rings (Buna-N and EPDM of varying internal diameters and cross-sectional shapes in seawater over a period of four years is described herein. The corrosion of some metals (i.e., 4130 stainless steel was found to be accelerated through interaction with Buna-N rubber O-rings. Theories to account for corrosion at the polymer-metal interface, especially with respect to polymer composition and O-ring size and shape, are discussed.

  3. Mass and Heat Diffusion in Ternary Polymer Solutions: A Classical Irreversible Thermodynamics Approach

    CERN Document Server

    Es-haghi, S Shams

    2016-01-01

    Governing equations for evolution of concentration and temperature in three-component systems were derived in the framework of classical irreversible thermodynamics using Onsager variational principle and were presented for solvent/solvent/polymer and solvent/polymer/polymer systems. The derivation was developed from the Gibbs equation of equilibrium thermodynamics using the local equilibrium hypothesis, Onsager reciprocal relations and Prigogine theorem for systems in mechanical equilibrium. It was shown that the details of mass and heat diffusion phenomena in a ternary system are completely expressed by a 3x3 matrix whose entries are mass diffusion coefficients (4 entries), thermal diffusion coefficients (2 entries) and three entries that describe the evolution of heat in the system. The entries of the diffusion matrix are related to the elements of Onsager matrix that are bounded by some constraints to satisfy the positive definiteness of entropy production in the system. All the elements of diffusion matr...

  4. Antimicrobial Polymers in Solution and on Surfaces: Overview and Functional Principles

    Directory of Open Access Journals (Sweden)

    Felix Siedenbiedel

    2012-01-01

    Full Text Available The control of microbial infections is a very important issue in modern society. In general there are two ways to stop microbes from infecting humans or deteriorating materials—disinfection and antimicrobial surfaces. The first is usually realized by disinfectants, which are a considerable environmental pollution problem and also support the development of resistant microbial strains. Antimicrobial surfaces are usually designed by impregnation of materials with biocides that are released into the surroundings whereupon microbes are killed. Antimicrobial polymers are the up and coming new class of disinfectants, which can be used even as an alternative to antibiotics in some cases. Interestingly, antimicrobial polymers can be tethered to surfaces without losing their biological activity, which enables the design of surfaces that kill microbes without releasing biocides. The present review considers the working mechanisms of antimicrobial polymers and of contact-active antimicrobial surfaces based on examples of recent research as well as on multifunctional antimicrobial materials.

  5. Adsorption of phenolic compounds from aqueous solutions by aminated hypercrosslinked polymers

    Institute of Scientific and Technical Information of China (English)

    JIANG Zhen-mao; LI Ai-min; CAI Jian-guo; WANG Chun; ZHANG Quan-xin

    2007-01-01

    Two novel polymers (NJ- 1 and NJ-2) were synthesized by chemically modified a hypercrosslinked polymer NJ-0 with dimethylamine and trimethylamine, respectively. The comparison of the adsorption properties of the three polymers toward phenol, resorcin and phloroglucin was made. The study focused on the static equilibrium adsorption behaviors and the adsorption thermodynamics.Freundlich equation was found to fit the adsorption results well. The effect of amino groups introduced onto the surface of the resin and the structure of phenolic compounds on the adsorption were also studied. The hydrogen-bonding interaction and electrostatic interaction could happen between the amino groups and the adsorbates. The adsorption impetus increased as quantity of hydroxyl groups increased, but the adsorption capacity decreased due to the drop of the matching degree of the aperture of resins and the diameter of adsorbate molecules.

  6. Computer simulation studies of static and dynamical scaling in dilute solutions of excluded-volume polymers

    OpenAIRE

    Ladd, A.J.C.; Frenkel, D.

    1992-01-01

    We have used a novel Monte Carlo method to compute the gyration radius Rg and the hydrodynamic radius RH of excluded-volume polymer chains. The hydrodynamic radius scales as Ng05s (N is the number of bonds) over at least a decade of chain lengths, whereas the gyration radius exponent is close to the theoretical value of 0.59. The anomalous behavior Of RH is well-known experimentally; it is commonly attributed to the belief that polymers in mediocre solvents are not swollen on short length sca...

  7. Measurement of the equation of state and of the index of refraction of an amorphous glow discharge polymer up to 45 GPa

    Science.gov (United States)

    Plisson, Thomas; Colin-Lalu, Pierre; Huser, Gael; Loubeyre, Paul

    2016-08-01

    We present an experimental determination of the ambient temperature equation of state, P ( ρ / ρ 0 , 293 K ) , up to 45 GPa, of the glow discharge polymer (GDP) used as a confining capsule for the fusible deuterium-tritium mixture in inertial confinement fusion experiments. An original method has been implemented to measure both the compression factor and the refractive index versus pressure. The data are obtained in a diamond anvil cell with two sample chambers of equal thickness containing, respectively, the GDP and a NaCl reference. This experimental equation of state is compared to numerical first principles simulations. Deviations are ascribed to the difficulty to simulate the detailed atomic structure of the polymer under moderate pressure.

  8. A New Methodology to Select the Preferred Solutions from the Pareto-optimal Set: Application to Polymer Extrusion

    International Nuclear Information System (INIS)

    Most of the real world optimization problems involve multiple, usually conflicting, optimization criteria. Generating Pareto optimal solutions plays an important role in multi-objective optimization, and the problem is considered to be solved when the Pareto optimal set is found, i.e., the set of non-dominated solutions. Multi-Objective Evolutionary Algorithms based on the principle of Pareto optimality are designed to produce the complete set of non-dominated solutions. However, this is not allays enough since the aim is not only to know the Pareto set but, also, to obtain one solution from this Pareto set. Thus, the definition of a methodology able to select a single solution from the set of non-dominated solutions (or a region of the Pareto frontier), and taking into account the preferences of a Decision Maker (DM), is necessary. A different method, based on a weighted stress function, is proposed. It is able to integrate the user's preferences in order to find the best region of the Pareto frontier accordingly with these preferences. This method was tested on some benchmark test problems, with two and three criteria, and on a polymer extrusion problem. This methodology is able to select efficiently the best Pareto-frontier region for the specified relative importance of the criteria

  9. Bulk Heterojunction versus Diffused Bilayer: The Role of Device Geometry in Solution p-Doped Polymer-Based Solar Cells

    OpenAIRE

    Loiudice, Anna; Rizzo, Aurora; Biasiucci, Mariano; Gigli, Giuseppe

    2012-01-01

    We exploit the effect of molecular p-type doping of P3HT in diffused bilayer (DB) polymer solar cells. In this alternative device geometry, the p-doping is accomplished in solution by blending the F4-TCNQ with P3HT. The p-doping both increases the film conductivity and reduces the potential barrier at the interface with the electrode. This results in an excellent power conversion efficiency of 4.02%, which is an improvement of ∼48% over the p-doped standard bulk heterojunction ...

  10. All solution roll-to-roll processed polymer solar cells free from indium-tin-oxide and vacuum coating steps

    DEFF Research Database (Denmark)

    Krebs, Frederik C

    2009-01-01

    A roll-to-roll process enabling fabrication of polymer solar cells comprising five layers on flexible substrates is presented. The device geometry is inverted and allow for fabrication on both transparent and non-transparent flexible substrates. The process is illustrated in this work by formation......, 3 and 8 stripes. All five layers in the device were processed from solution in air and no vacuum steps were employed. An additional advantage is that the use of indium-tin-oxide (ITO) is avoided in this process. The devices were tested under simulated sunlight (1000 W m−2, AM1.5G) and gave a typical...

  11. Improvement of mechanical properties of hydrogel by irradiation of polymers in aqueous solution with {kappa}-carrageenan

    Energy Technology Data Exchange (ETDEWEB)

    Makuuchi, K.; Yoshii, F. [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment; Aranilla, C.T. [Philippine Nuclear Research Institute, Diliman, Quezon (Philippines); Zhai, M. [Department of Technical Physics, Peking Univ., Beijing (China)

    2000-03-01

    Predominate radiation reaction of {kappa}-carrageenan (KC) hydrogel is the main chain scission of KC. The gel strength of KC hydrogel decreased with increasing irradiation dose. However, KC was found to enhances the radiation crosslinking of synthetic water-soluble polymer (SWSP) such as poly(ethylene oxide) (PEO) and poly(N-vinylpyrolidone) (PVP) in aqueous solution. The gel strength of SWSP hydrogel increased with increasing dose when KC was blended. Probably the radiation degraded KC radicals are recombined with radicals of PVP and PEO. The hydrogel thus prepared absorbs huge amounts of water due to the presence of strong hydrophilic -OSO{sub 3}{sup -} groups in KC. (author)

  12. A simple relation for the concentration dependence of osmotic pressure and depletion thickness in polymer solutions

    NARCIS (Netherlands)

    Fleer, G.J.; Skvortsov, A.M.; Tuinier, R.

    2007-01-01

    We propose simple expressions II/IIo = 1 + and (omega/omega(ex))(3 alpha-1) and (delta(0)/delta)(2) = 1 + (omega/omega(ex))(2 alpha) for the osmotic pressure II and the depletion thickness 6 as a function of the polymer concentration omega. Here, IIo and delta 0 correspond to the dilute limit, and o

  13. Computer simulation studies of static and dynamical scaling in dilute solutions of excluded-volume polymers

    NARCIS (Netherlands)

    Ladd, A.J.C.; Frenkel, D.

    1992-01-01

    We have used a novel Monte Carlo method to compute the gyration radius Rg and the hydrodynamic radius RH of excluded-volume polymer chains. The hydrodynamic radius scales as Ng05s (N is the number of bonds) over at least a decade of chain lengths, whereas the gyration radius exponent is close to the

  14. Classical and recent free-volume models for polymer solutions: A comparative evaluation

    DEFF Research Database (Denmark)

    Radfarnia, H.R.; Kontogeorgis, Georgios; Ghotbi, C.;

    2007-01-01

    improve the performance of a recent model, the so-called Freed-FV First, we propose a modification of the Freed-FV model accounting for the anomalous free-volume behavior of aqueous systems (unlike the other solvents, water has a lower free-volume percentage than polymers). The results predicted by the...

  15. 疏水缔合聚合物的合成及溶液性质研究%Synthesis and Solution Properties of Hydrophobic Associating Polymers

    Institute of Scientific and Technical Information of China (English)

    任鲲; 姜桂元; 徐春明; 林梅钦

    2005-01-01

    Acrylamide/2-acrylamido alkane sulfonic acid hydrophobic associating copolymers were synthesized by micellar copolymerization. Effects of hydrophobe content, polymer concentration, salinity and surfactant on rheological behavior of copolymers were investigated and the conformation of polymers in solution was studied by means of environmental scanning electronic microscopy and dynamic light scattering. The experimental results showed that in the dilute regime the hydrophobic parts could interact intramolecularly, while in the regime where the polymer concentration was higher than the critical association concentration, intermolecular hydrophobic association became predominant. Within the limit of the solubility, the critical association concentration of the polymer decreased with the increase of the salinity. The experimental results of the solution conformation indicated the presence of the three-dimensional network structure in deionized water and the size of the mesh in the network varied with the polymer concentration. In NaCl solution, above the critical association concentration, an increase in polymer concentration enhanced the intermolecular association and also enlarged the hydrodynamic radius. It would result in the improvement of the thickening power of polymers.

  16. Variational Formulas and Cocycle solutions for Directed Polymer and Percolation Models

    Science.gov (United States)

    Georgiou, Nicos; Rassoul-Agha, Firas; Seppäläinen, Timo

    2016-09-01

    We discuss variational formulas for the law of large numbers limits of certain models of motion in a random medium: namely, the limiting time constant for last-passage percolation and the limiting free energy for directed polymers. The results are valid for models in arbitrary dimension, steps of the admissible paths can be general, the environment process is ergodic under spatial translations, and the potential accumulated along a path can depend on the environment and the next step of the path. The variational formulas come in two types: one minimizes over gradient-like cocycles, and another one maximizes over invariant measures on the space of environments and paths. Minimizing cocycles can be obtained from Busemann functions when these can be proved to exist. The results are illustrated through 1+1 dimensional exactly solvable examples, periodic examples, and polymers in weak disorder.

  17. RESEARCH ON COHERENT STRUCTURES IN A MIXING LAYER OF THE FENE-P POLYMER SOLUTION

    Institute of Scientific and Technical Information of China (English)

    邵雪明; 林建忠; 余钊圣

    2001-01-01

    The evolution of the coherent structures in a two-dimensional time-developing mixing layer of the FENE-P fluids is examined numerically. By the means of an appropriate filtering for the polymer stress, some characteristics of the coherent structures at high b were obtained, which Azaiez and Homsy did not address. The results indicate that adding polymer to the Newtonian fluids will cause stronger vorticity diffusion, accompanied with weaker fundamental and subharmonical perturbations and slower rotational motion of neighboring vortices during pairing. This effect decreases with the Weissenberg number, but increases with b. In addition, the time when the consecutive rollers are completely coalesced into one delays in the viscoelastic mixing layer compared with the Newtonian one of the same total viscosity.

  18. Frictional properties of the end-grafted polymer layer in presence of salt solution

    Science.gov (United States)

    Raftari, Maryam; Zhang, Zhenyu; Leggett, Graham J.; Geoghegan, Mark

    2012-02-01

    We have studied the frictional behaviour of grafted poly[2-(dimethylamino)ethyl methacrylate] (PDMAEMA) films using friction force microscopy (FFM). The films were prepared on native oxide-terminated silicon substrates using the technique of atom transfer radical polymerization (ATRP). These brushes had constant grafting density (1.18 nm2), and of a thickness of ˜66 nm, as measured by ellipsometry. We show that single asperity contact mechanics (Johnson-Kendall-Roberts (JKR) and Derjaguin-M"uller-Toporov (DMT) models) as well as a linear (Amontons) relation between applied load and frictional load all apply to these systems depending on the concentration of salt and the nature of the FFM probe. Measurements were made using gold-coating and polymer functionalized silicon nitride triangular probes. Polymer functionalized probe included growth the PDMAEMA with same method on tips. The frictional behaviour are investigated between PDMAEMA and gold coated and PDMAEMA tips immersed in different concentrations of KCl, KBr and KI.

  19. Derivation of an Analytical Solution to a Reaction-Diffusion Model for Autocatalytic Degradation and Erosion in Polymer Microspheres

    Science.gov (United States)

    Ford Versypt, Ashlee N.; Arendt, Paul D.; Pack, Daniel W.; Braatz, Richard D.

    2015-01-01

    A mathematical reaction-diffusion model is defined to describe the gradual decomposition of polymer microspheres composed of poly(D,L-lactic-co-glycolic acid) (PLGA) that are used for pharmaceutical drug delivery over extended periods of time. The partial differential equation (PDE) model treats simultaneous first-order generation due to chemical reaction and diffusion of reaction products in spherical geometry to capture the microsphere-size-dependent effects of autocatalysis on PLGA erosion that occurs when the microspheres are exposed to aqueous media such as biological fluids. The model is solved analytically for the concentration of the autocatalytic carboxylic acid end groups of the polymer chains that comprise the microspheres as a function of radial position and time. The analytical solution for the reaction and transport of the autocatalytic chemical species is useful for predicting the conditions under which drug release from PLGA microspheres transitions from diffusion-controlled to erosion-controlled release, for understanding the dynamic coupling between the PLGA degradation and erosion mechanisms, and for designing drug release particles. The model is the first to provide an analytical prediction for the dynamics and spatial heterogeneities of PLGA degradation and erosion within a spherical particle. The analytical solution is applicable to other spherical systems with simultaneous diffusive transport and first-order generation by reaction. PMID:26284787

  20. Derivation of an Analytical Solution to a Reaction-Diffusion Model for Autocatalytic Degradation and Erosion in Polymer Microspheres.

    Directory of Open Access Journals (Sweden)

    Ashlee N Ford Versypt

    Full Text Available A mathematical reaction-diffusion model is defined to describe the gradual decomposition of polymer microspheres composed of poly(D,L-lactic-co-glycolic acid (PLGA that are used for pharmaceutical drug delivery over extended periods of time. The partial differential equation (PDE model treats simultaneous first-order generation due to chemical reaction and diffusion of reaction products in spherical geometry to capture the microsphere-size-dependent effects of autocatalysis on PLGA erosion that occurs when the microspheres are exposed to aqueous media such as biological fluids. The model is solved analytically for the concentration of the autocatalytic carboxylic acid end groups of the polymer chains that comprise the microspheres as a function of radial position and time. The analytical solution for the reaction and transport of the autocatalytic chemical species is useful for predicting the conditions under which drug release from PLGA microspheres transitions from diffusion-controlled to erosion-controlled release, for understanding the dynamic coupling between the PLGA degradation and erosion mechanisms, and for designing drug release particles. The model is the first to provide an analytical prediction for the dynamics and spatial heterogeneities of PLGA degradation and erosion within a spherical particle. The analytical solution is applicable to other spherical systems with simultaneous diffusive transport and first-order generation by reaction.

  1. Biological destruction of polymer solutions used to improve oil bed output

    Energy Technology Data Exchange (ETDEWEB)

    Gareyshina, A.Z.; Gazizov, A.Sh.; Nazmutdinov, R.Ya.; Ozhiganova, G.U.; Yaus, L.I.

    1984-01-01

    A plan is presented and the results of studying biological destruction of polyacrylamide by fresh water microflora in dynamics. It is shown that polymer destruction as a result of the vital activity of microorganisms occurs most intensively in the first 1-1.5 months. During this period, the degree of destruction of polyacrylamide reaches 70-80%, which corresponds to a decrease in the average molecular mass 4-5-fold.

  2. A New Property of Conjugated Polymer PFP: Catalytic Degradation of Methylene Blue Aqueous Solution

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    A new property of conjugated polymer poly(furancarbinol-co-phenol)(PFP) was studied.The target copolymer was used as a catalyst after proper heating treatment. And dye methylene blue (MB) could be fully degraded and largely mineralized on PFP, under natural light or even in dark, in a few minutes. Furthermore, the catalytic activity could be preserved after several runs and the catalyst was readily separated. The effect of calcination temperature was also observed.

  3. Concentration effects on turbulence in dilute polymer solutions far from walls

    Science.gov (United States)

    de Chaumont Quitry, Alexandre; Ouellette, Nicholas T.

    2016-06-01

    We report measurements of the modification of turbulence far from any walls by small concentrations of long-chain polymers. We consider a range of statistical properties of the flow, including Eulerian and Lagrangian velocity structure functions, Eulerian acceleration correlation functions, and the relative dispersion of particle pairs. In all cases, we find that the polymer concentration has a strong effect on the extent to which the statistical properties are changed compared to their values in pure water. These effects can be captured by the recently proposed energy flux-balance model (when suitably extended into the time domain for Lagrangian statistics). However, unlike previous measurements, which found that the concentration effect could be completely scaled out, we consistently find that our data collapse onto two different master curves, one for small concentration and one for larger concentration. We suggest that the difference between the two may be related to the onset of interactions among polymer chains, which is likely to be more easily observed at the small Weissenberg numbers we consider here.

  4. ON SELF-ABSORPTION CORRECTION IN EXCIMER FLUORESCENCE MEASUREMENTS OF POLYMER SOLUTIONS

    Institute of Scientific and Technical Information of China (English)

    Xigao Jin; Zhong Jiang; Ming Ni; Feng-lian Bai; Ren-yuan Qian

    2000-01-01

    The effect of self absorption on the ratio of excimer to monochromophore emission intensities, Ie/Im, has been explored by experimentally changing the solution layer thickness of the emission light path traversed in the solution in the right-angle geometry. The result shows that data obtained by front-face geometry are better than those obtained by rightangle geometry even after correction to zero solution thickness. The correction formula based on geometric optics given by Tsai and Torkelson is not adequate.

  5. Enhancement of coil--stretch hysteresis by self-concentration in extensional flows, and its implications for capillary thinning of liquid bridges of dilute polymer solutions

    OpenAIRE

    Prabhakar, Ranganathan

    2014-01-01

    The coil-stretch transition in extensional flows of viscoelastic dilute polymer solutions is known to be associated with a strong hysteresis in molecular conformations and rheo-optical properties. At infinite dilution, hysteresis is caused by the large difference in frictional drag coefficient between undeformed isotropic polymer coils and highly stretched conformations. At the low extension rates in the hysteresis regime, stretched molecules pervade larger volumes than equilibrium coils sinc...

  6. Phase Behavior of the Ternary Solution Involving Rodlike and Random Coil Polymers

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The present paper covers the phase behavior of poly(p-benzamide)(PBA)/Nylon 6/H2SO4 and poly(p-phenylene terephthalamide) (PPTA)/Nylon 6/H2SO4 systems. The transition temperatures detected by the Depolarized Light Intensity measurements were used to construct the phase diagram in which the influence of temperature was shown. The enhanced depolarized light intensity observed in the ternary system suggests that the coil polymer chains may tend to be extended and contribute to the overall anisotropy of the liquid crystal phase.

  7. Surface Acidity of Amorphous Aluminum Hydroxide

    Institute of Scientific and Technical Information of China (English)

    K. FUKUSHI; K. TSUKIMURA; H. YAMADA

    2006-01-01

    The surface acidity of synthetic amorphous Al hydroxide was determined by acid/base titration with several complementary methods including solution analyses of the reacted solutions and XRD characterization of the reacted solids. The synthetic specimen was characterized to be the amorphous material showing four broad peaks in XRD pattern. XRD analyses of reacted solids after the titration experiments showed that amorphous Al hydroxide rapidly transformed to crystalline bayerite at the alkaline condition (pH>10). The solution analyses after and during the titration experiments showed that the solubility of amorphous aluminum hydroxide, Ksp =aAl3+/a3H+,was 1010.3,The amount of consumption of added acid or base during the titration experiment was attributed to both the protonation/deprotonation of dissolved Al species and surface hydroxyl group. The surface acidity constants, surface hydroxyl density and specific surface area were estimated by FITEQL 4.0.

  8. Adsorption properties of the nanozirconia/anionic polyacrylamide system-Effects of surfactant presence, solution pH and polymer carboxyl groups content

    Science.gov (United States)

    Wiśniewska, Małgorzata; Chibowski, Stanisław; Urban, Teresa

    2016-05-01

    The adsorption mechanism of anionic polyacrylamide (PAM) on the nanozirconia surface was examined. The effects of solution pH, carboxyl groups content in macromolecules and anionic surfactant (sodium dodecyl sulfate-SDS) addition were determined. The more probable structure of polymer adsorption layer was characterized based on the data obtained from spectrophotometry, viscosimetry and potentiometric titration methods. The adsorbed amount of polymer, size of macromolecules in the solution and surface charge density of ZrO2 particles in the absence and presence of PAM were assessed, respectively. Analysis of these results indicated that the increase of solution pH and content of carboxyl groups in the polymeric chains lead to more expanded conformations of adsorbing macromolecules. As a result, the adsorption of anionic polyacrylamide decreased. The SDS presence caused the significant increase of PAM adsorbed amount at pH 3, whereas at pH 6 and 9 the surfactant addition resulted in reduction of polymer adsorption level.

  9. Application of a novel 3-fluid nozzle spray drying process for the microencapsulation of therapeutic agents using incompatible drug-polymer solutions.

    Science.gov (United States)

    Sunderland, Tara; Kelly, John G; Ramtoola, Zebunnissa

    2015-04-01

    The aim of this study was to evaluate a novel 3-fluid concentric nozzle (3-N) spray drying process for the microencapsulation of omeprazole sodium (OME) using Eudragit L100 (EL100). Feed solutions containing OME and/or EL100 in ethanol were assessed visually for OME stability. Addition of OME solution to EL100 solution resulted in precipitation of OME followed by degradation of OME reflected by a colour change from colourless to purple and brown. This was related to the low pH of 2.8 of the EL100 solution at which OME is unstable. Precipitation and progressive discoloration of the 2-fluid nozzle (2-N) feed solution was observed over the spray drying time course. In contrast, 3-N solutions of EL100 or OME in ethanol were stable over the spray drying period. Microparticles prepared using either nozzle showed similar characteristics and outer morphology however the internal morphology was different. DSC showed a homogenous matrix of drug and polymer for 2-N microparticles while 3-N microparticles had defined drug and polymer regions distributed as core and coat. The results of this study demonstrate that the novel 3-N spray drying process can allow the microencapsulation of a drug using an incompatible polymer and maintain the drug and polymer in separate regions of the microparticles. PMID:24170510

  10. Consistent model reduction of polymer chains in solution in dissipative particle dynamics: Model description

    Science.gov (United States)

    Moreno, Nicolas; Nunes, Suzana P.; Calo, Victor M.

    2015-11-01

    We introduce a framework for model reduction of polymer chain models for dissipative particle dynamics (DPD) simulations, where the properties governing the phase equilibria such as the characteristic size of the chain, compressibility, density, and temperature are preserved. The proposed methodology reduces the number of degrees of freedom required in traditional DPD representations to model equilibrium properties of systems with complex molecules (e.g., linear polymers). Based on geometrical considerations we explicitly account for the correlation between beads in fine-grained DPD models and consistently represent the effect of these correlations in a reduced model, in a practical and simple fashion via power laws and the consistent scaling of the simulation parameters. In order to satisfy the geometrical constraints in the reduced model we introduce bond-angle potentials that account for the changes in the chain free energy after the model reduction. Following this coarse-graining process we represent high molecular weight DPD chains (i.e.,  ≥ 200 beads per chain) with a significant reduction in the number of particles required (i.e.,  ≥ 20 times the original system). We show that our methodology has potential applications modeling systems of high molecular weight molecules at large scales, such as diblock copolymer and DNA.

  11. Consistent model reduction of polymer chains in solution in dissipative particle dynamics: Model description

    KAUST Repository

    Moreno, Nicolas

    2015-06-30

    We introduce a framework for model reduction of polymer chain models for dissipative particle dynamics (DPD) simulations, where the properties governing the phase equilibria such as the characteristic size of the chain, compressibility, density, and temperature are preserved. The proposed methodology reduces the number of degrees of freedom required in traditional DPD representations to model equilibrium properties of systems with complex molecules (e.g., linear polymers). Based on geometrical considerations we explicitly account for the correlation between beads in fine-grained DPD models and consistently represent the effect of these correlations in a reduced model, in a practical and simple fashion via power laws and the consistent scaling of the simulation parameters. In order to satisfy the geometrical constraints in the reduced model we introduce bond-angle potentials that account for the changes in the chain free energy after the model reduction. Following this coarse-graining process we represent high molecular weight DPD chains (i.e., ≥200≥200 beads per chain) with a significant reduction in the number of particles required (i.e., ≥20≥20 times the original system). We show that our methodology has potential applications modeling systems of high molecular weight molecules at large scales, such as diblock copolymer and DNA.

  12. SOLUTION RHEOLOGY OF HYPERBRANCHED POLYESTERS AND THEIR BLENDS WITH LINEAR POLYMERS

    Science.gov (United States)

    In this study, the rheological properties of different generations of hyperbranched polyesters in 1-methyl-2-pyrrolidinone solvent and their blends with poly(2-hydroxyethyl methacrylate) have ben investigated. All the hyperbranched polyester solutions exhibited Newtonian behavior...

  13. Restructuring polymers via nanoconfinement and subsequent release

    Directory of Open Access Journals (Sweden)

    Alan E. Tonelli

    2012-08-01

    Full Text Available During the past several years my students and I have been utilizing certain small-molecule hosts to create nanostructured polymers. This is accomplished by first forming noncovalently bonded inclusion complexes (ICs between these small-molecule hosts and guest polymers, followed by the careful removal of the host crystalline lattice to obtain a coalesced bulk polymer. We have repeatedly observed that such coalesced polymer samples behave distinctly from those produced from their solutions or melts. Coalesced amorphous homopolymers exhibit higher glass-transition temperatures, while crystallizable homopolymers coalesced from their ICs display higher melting and crystallization temperatures, and sometimes different crystalline polymorphs. When ICs are formed with block copolymers or with two or more different homopolymers, the resulting coalesced samples can exhibit intimate mixing between the copolymer blocks, or between entire homopolymer chains. Each of the distinct behaviors observed for polymers coalesced from their ICs is a consequence of the structural organization of the polymer–host-ICs. Polymer chains in host-IC crystals are confined to occupy narrow channels (diameter ~0.5–1.0 nm formed by the small-molecule hosts around the included guest polymers during IC crystallization. This results in the separation and high extension of the included guest polymer chains, which leads, following the careful removal of the host molecule lattice, to unique behaviors for the bulk coalesced polymer samples. Apparently, substantial degrees of the extended and unentangled natures of the IC-included chains are retained upon coalescence. In this review we summarize the behaviors and uses of coalesced polymers, and attempt to draw conclusions on the relationship between their behavior and the organization/structures/conformations of the constituent polymer chains achieved upon coalescence from their ICs.

  14. Removal of Chromium(VI from Aqueous Solutions Using Fe3O4 Magnetic Polymer Microspheres Functionalized with Amino Groups

    Directory of Open Access Journals (Sweden)

    Kai Wang

    2015-12-01

    Full Text Available Magnetic polymer microspheres (MPMs using glycidylmethacrylate (GMA as a functional monomer were synthesized in the presence of Fe3O4 nanoparticles via dispersion polymerization. After polymerization, the magnetic polymer microbeads were modified with ethylenediamine (EDA. The obtained ethylenediamine-functionalized magnetic microspheres (EDA-MPMs were characterized by scanning electron microscope (SEM, X-ray diffraction (XRD, vibrating-sample magnetometer (VSM and Fourier transform infrared (FT-IR spectroscopy. Then the EDA-MPMs were applied as adsorbents for the removal of Cr(VI from aqueous solution. Langmuir equation was appropriate to describe the experimental data. The maximum adsorption capacities obtained from the Langmuir model were 236.9, 242.1 and 253.2 mg/g at 298, 308 and 318 K, respectively. The Cr(VI adsorption equilibrium was established within 120 min and the adsorption kinetics was compatibly described by the pseudo-second order equation. The thermodynamic parameters (ΔG°, ΔH°, ΔS° of the sorption process revealed that the adsorption was spontaneous and was an endothermic process. The regeneration study demonstrated that the EDA-MPMs could be repeatedly utilized with no significant loss of adsorption efficiency.

  15. Plasmon-enhanced polymer bulk heterojunction solar cells with solution-processable Ag nanoparticles

    Institute of Scientific and Technical Information of China (English)

    YAN Qi-qi; QIN Wen-jing; WANG Chao; SONG Peng-fei; DING Guo-jing; YANG Li-ying; YIN Shou-gen

    2011-01-01

    We report the plasmon-enhanced polymer bulk-heterojunction solar cells with Ag nanoparticles (AgNPs) obtained via chemical method.Here,the AgNPs films with different particle densities are introduced between the poly (3,4-ethylene dioxythiophene) poly (styrenesulfonate) (PEDOT:PSS) buffer layer and the poly (3-hexythiophene):[6,6]-phenyl-C61 butyric acid methyl ester (P3HT:PCBM) layer.By improving the optical absorption of the active layer owing to the localized surface plasmons,the power conversion efficiency of the solar cells is increased compared with the control device.It is shown that the efficiency of the device increases with the density of AgNPs.For the device employing higher density,the resulted power conversion efficiency is found to increase from 2.89% to 3.38%,enhanced by 16.96%.

  16. Biosorption Performance of Biodegradable Polymer Powders for the Removal of Gallium(III ions from Aqueous Solution

    Directory of Open Access Journals (Sweden)

    Lee Ching-Hwa

    2015-09-01

    Full Text Available Gallium (Ga is considered an important element in the semiconducting industry and as the lifespan of electronic products decrease annually Ga-containing effluent has been increasing. The present study investigated the use of biodegradable polymer powders, crab shell and chitosan, in the removal of Ga(III ions from aqueous solution. Ga(III biosorption was modeled to Lagergren-first, pseudo-second order and the Weber-Morris models. Equilibrium data was modeled to the Langmuir, Freundlich and Langmuir-Freundlich adsorption isotherms to determine the probable biosorption behavior of Ga(III with the biosorbents. The biosorbents were investigated by Fourier Transform Infrared Spectroscopy, X-ray Diffraction and Scanning Electron Microscopy/Energy Dispersive Spectra analysis.

  17. Water-compatible 'aspartame'-imprinted polymer grafted on silica surface for selective recognition in aqueous solution.

    Science.gov (United States)

    Singh, Meenakshi; Kumar, Abhishek; Tarannum, Nazia

    2013-05-01

    Molecularly imprinted polymers selective for aspartame have been prepared using N-[2-ammonium-ethyl-piperazinium) maleimidopropane sulfonate copolymer bearing zwitterionic centres along the backbone via a surface-confined grafting procedure. Aspartame, a dipeptide, is commonly used as an artificial sweetener. Polymerisation on the surface was propagated by means of Michael addition reaction on amino-grafted silica surface. Electrostatic interactions along with complementary H-bonding and other hydrophobic interactions inducing additional synergetic effect between the template (aspartame) and the imprinted surface led to the formation of imprinted sites. The MIP was able to selectively and specifically take up aspartame from aqueous solution and certain pharmaceutical samples quantitatively. Hence, a facile, specific and selective technique using surface-grafted specific molecular contours developed for specific and selective uptake of aspartame in the presence of various interferrants, in different kinds of matrices is presented.

  18. Polymer-assisted metal deposition (PAMD): a full-solution strategy for flexible, stretchable, compressible, and wearable metal conductors.

    Science.gov (United States)

    Yu, You; Yan, Casey; Zheng, Zijian

    2014-08-20

    Metal interconnects, contacts, and electrodes are indispensable elements for most applications of flexible, stretchable, and wearable electronics. Current fabrication methods for these metal conductors are mainly based on conventional microfabrication procedures that have been migrated from Si semiconductor industries, which face significant challenges for organic-based compliant substrates. This Research News highlights a recently developed full-solution processing strategy, polymer-assisted metal deposition (PAMD), which is particularly suitable for the roll-to-roll, low-cost fabrication of high-performance compliant metal conductors (Cu, Ni, Ag, and Au) on a wide variety of organic substrates including plastics, elastomers, papers, and textiles. This paper presents i) the principles of PAMD, and how to use it for making ii) flexible, stretchable, and wearable conductive metal electrodes, iii) patterned metal interconnects, and d) 3D stretchable and compressible metal sponges. A critical perspective on this emerging strategy is also provided. PMID:24458846

  19. Performance improvement of polymer solar cells by using a solution processible titanium chelate as cathode buffer layer

    Science.gov (United States)

    Tan, Zhan'ao; Yang, Chunhe; Zhou, Erjun; Wang, Xiang; Li, Yongfang

    2007-07-01

    A solution processible titanium chelate, titanium (diisopropoxide) bis (2,4-pentanedionate) (TIPD), was used as the cathode buffer layer in the polymer solar cells (PSCs) based on the blend of poly[2-methoxy-5-(2'-ethylhexyloxy)-1,4-phenylenevinylene] and [6,6]-phenyl-C61-butyric acid methyl ester. Introducing TIPD buffer layer reduced the interface resistance between the active layer and Al electrode, leading to a lower device resistance. The power conversion efficiency of the PSC with TIPD buffer layer reached 2.52% under the illumination of AM1.5, 100mW/cm2, which is increased by 51.8% in comparison with that (1.66%) of the device without TIPD buffer layer under the same experimental conditions.

  20. Bulk, surface properties and water uptake mechanisms of salt/acid amorphous composite systems

    OpenAIRE

    Bianco, Stefano; Tewes, Frederic; Tajber, Lidia; Caron, Vincent; Corrigan, Owen,; Healy, Anne Marie

    2013-01-01

    International audience; Developing amorphous pharmaceuticals can be desirable due to advantageous biopharmaceutical properties. Low glass transition temperature (Tg) amorphous drugs can be protected from crystallisation by mixing with high Tg excipients, such as polymers, or with salt forms. However, both polymers and salts can enhance the water uptake. The aim of this study was to formulate physico-chemically stable amorphous materials, by co-processing different proportions of sulfathiazole...

  1. Influence of polymeric electron injection layers on the electrical properties of solution-processed multilayered polymer light-emitting diodes

    Science.gov (United States)

    Itoh, Eiji; Kurami, Kazuhiko

    2016-02-01

    In this study, we fabricated multilayered polymer-based light-emitting diodes (pLEDs) with various solution-processed electron-injection layers (EILs), and investigated the influence of the EILs on the electrical properties of pLEDs in indium tin oxide (ITO)/poly(3,4-ethylenedioxythiophene) doped with poly(styrene sulfonic acid) (PEDOT:PSS)/poly[(9,9-dioctylfluorene-alt-(1,4-phenylene((4-sec-butylphenyl)amino)-1,4-phenylene))] (TFB) (HTL)/poly(9,9-dioctylfluorene-alt-1,4-benzothiadiazole) (F8BT) (EML)/EIL/Al structures. We have used the quaternized ammonium π-conjugated polyelectrolyte derivative (poly[(9,9-di(3,3‧-N,N‧-trimethylammonium)propylfluorenyl-2,7-diyl)-co-(1,4-phenylene)]diiodide salt) (PF-PDTA), a mixture of PF-PDTA and CS2CO3, and the aliphatic-amine-based polymer poly(ethylene imine) (PEI) as solution-processed EILs, and compared them with LiF as a solvent-free EIL. The EILs enhanced the electron injection and improve the pLED performance. High external quantum efficiencies of nearly 4% were obtained in the pLEDs with the combination of a multilayered structure fabricated by a transfer printing technique and EILs of a PF-PDTA:CS2CO3 mixture and PEI. On the other hand, the device with PF-PDTA exhibited lower efficiency, higher driving voltage, and larger leakage current at lower voltage. The migration of ionic charges was suggested from the abnormal dielectric behaviors, and serious damage on the electrode material occurred when both an acid hole-injection layer (PEDOT:PSS) and PF-PDTA were used. On the other hand, the pLEDs with ultrathin PEI showed high performance and stable device operation in terms of the influence of ionic charges.

  2. Surface modification of electrospun polyester nanofibers with cyclodextrin polymer for the removal of phenanthrene from aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Kayaci, Fatma; Aytac, Zeynep; Uyar, Tamer, E-mail: tamer@unam.bilkent.edu.tr

    2013-10-15

    Highlights: • Electrospun PET nanofibers were surface modified with cyclodextrin polymer (CDP). • Three different types of native CD (α-CD, β-CD and γ-CD) were used to form CDP. • Nanofibrous structure of PET mats was preserved after CDP surface modification. • PET/CDP nanofibers have shown enhanced mechanical and thermal properties. • PET/CDP nanofibers efficiently remove PAH (e.g. phenanthrene) from aqueous solution. -- Abstract: Surface modified electrospun polyester (PET) nanofibers with cyclodextrin polymer (CDP) were produced (PET/CDP). CDP formation onto electrospun PET nanofibers was achieved by polymerization between citric acid (CTR, crosslinking agent) and cyclodextrin (CD). Three different types of native CD (α-CD, β-CD and γ-CD) were used to form CDP. Water-insoluble crosslinked CDP coating was permanently adhered onto the PET nanofibers. SEM imaging indicated that the nanofibrous structure of PET mats was preserved after CDP surface modification process. PET/CDP nanofibers have shown rougher/irregular surface and larger fiber diameter when compared to untreated PET nanofibers. The surface analyses of PET/CDP nanofibers by XPS elucidated that CDP was present on the fiber surface. DMA analyses revealed the enhanced mechanical properties for PET/CDP where PET/CDP nanofibers have shown higher storage modulus and higher glass transition temperature compared to untreated PET nanofibers. The surface area of the PET/CDP nanofibers investigated by BET measurements showed slight decrease due to the presence of CDP coating compared to pristine PET nanofibers. Yet, it was observed that PET/CDP nanofibers were more efficient for the removal of phenanthrene as a model polycyclic aromatic hydrocarbon (PAH) from aqueous solution when compared to pristine PET nanofibers. Our findings suggested that PET/CDP nanofibers can be a very good candidate as a filter material for water purification and waste treatment owing to their very large surface area as

  3. Enzyme-polymer composites with high biocatalytic activity and stability

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jungbae; Kosto, Timothy J.; Manimala, Joseph C.; Nauman, E B.; Dordick, Jonathan S.

    2004-08-22

    We have applied vacuum-spraying and electrospinning to incorporate an enzyme into a polymer matrix, creating a novel and highly active biocatalytic composite. As a unique technical approach, enzymes were co-dissolved in toluene with polymers, and the solvent was then rapidly removed by injecting the mixture into a vacuum chamber or by electrospinning. Subsequent crosslinking of the enzyme with glutaraldehyde resulted in stable entrapped enzyme within the polymeric matrices. For example, an amorphous composite of alpha-chymotrypsin and polyethylene showed no significant loss of enzymatic activity in aqueous buffer for one month. Nanofibers of alpha-chymotrypsin and polystyrene also showed no decrease in activity for more than two weeks. The normalized activity of amorphous composite in organic solvents was 3-13 times higher than that of native alpha-chymotrypsin. The activity of nanofibers was 5-7 times higher than that of amorphous composite in aqueous buffer solution. The composites of alpha-chymotrypsin and polymers demonstrate the feasibility of obtaining a wide variety of active and stable biocatalytic materials with many combinations of enzymes and polymers.

  4. Concentrated Polymer Solutions are Different from Melts: Role of Entanglement Molecular Weight

    DEFF Research Database (Denmark)

    Huang, Qian; Mednova, Olga; Rasmussen, Henrik K.;

    2013-01-01

    We compare viscoelastic properties of several polystyrene solutions and melts with the same number of entanglements. It is demonstrated that the modulus and time can be shifted such that the linear viscoelastic properties are identical provided the number of entanglements are identical. However t...

  5. Synthesis and Rheological Properties of an Associative Star Polymer in Aqueous Solutions

    DEFF Research Database (Denmark)

    Hietala, Sami; Mononen, Pekka; Strandman, Satu;

    2007-01-01

    -to-solution transition with increasing temperature. Increase of ionic strength decreases the moduli compared with the pure hydrogel but did not affect the gel-sol transition temperature significantly. Small-angle X-ray experiments showed two distinct scattering correlation peaks for samples above the gelling Cp, which...

  6. Quasi-logarithmic spacing law in dewetting patterns from the drying meniscus of a polymer solution

    CERN Document Server

    Chen, Yong-Jun; Mahara, Hitoshi; Yamaguchi, Tomohiko

    2012-01-01

    We report on a periodic precipitation pattern emerged from a drying meniscus via evaporation of a polystyrene solution in a Petri dish. It appeared a quasi-logarithmic spacing relation in the pattern as a result of stick-slip motion of the contact line towards the wall. A model based on the dynamics of the evaporating meniscus is proposed.

  7. Experimental investigations and numerical simulations for an open channel flow of a weak elastic polymer solution around a T-profile

    Energy Technology Data Exchange (ETDEWEB)

    Balan, C.; Neagoe, A.; Nistoran, D. [Hydraulics and Hydraulic Machinery Department - REOROM Group, University ' ' Politehnica' ' of Bucharest, Splaiul Independentei 313, 79590, Bucharest (Romania); Legat, V. [University of Louvain-la-Neuve - Center for Systems Engineering Applied Mechanics (CESAME), Batiment Euler, Av. Georges Lemaitre 4, 1348, Louvain-la-Neuve (Belgium)

    2004-03-01

    The present paper is concerned with experimental and numerical investigations of planar complex flows of ''weak'' elastic polymer solutions (whose concentration are below the critical overlap concentration), characterised by small relaxation times ({lambda}<0.1 s) and almost constant shear viscosities for small and medium shear rates. The main aim of the study is to detect to what extent a very small amount of elasticity present in a viscous fluid can influence its behaviour in complex flows, without introducing major modifications of classical rheological tests. The samples are polymer solutions of low PIB molecular weight dissolved in highly viscous Newtonian mineral oil. The analysed motion is steady, and takes place in an open channel around a ''T'' profile. Maximum values of the characteristic parameters for the experiments, the Reynolds and Weissenberg numbers, were 45 and 0.1, respectively. The experiments show a decrease of the wake length downstream the profile for weak elastic solutions in comparison to the Newtonian solvent. Actually, the same wake length as in the Newtonian case was obtained for tested polymer solutions, but at higher Re numbers. Numerical simulations using the Giesekus model predict the same behaviour and are consistent with experiments from both qualitative and quantitative point of views. The results of research conclude that, even in small amounts, the presence of elasticity in pure viscous liquids induces quantitative changes from Newtonian flow in complex dominant elongational flows, at elongational rates for which the sudden thickening of extensional viscosity is remarkable. The study is important, since it should enable better understanding and modelling of viscoelastic flows that involve dilute polymer solutions, or fluids with similar rheology; biofluid mechanics being one area of application of this research. Corroboration of experimental flow visualization with numerical simulation is

  8. Kinetics of the electropolymerization of aminoanthraquinone from aqueous solutions and analytical applications of the polymer film

    Directory of Open Access Journals (Sweden)

    Shymaa S. Medany

    2012-07-01

    Full Text Available Poly 1-amino-9, 10-anthraquinone (PAAQ films were prepared by the electropolymerization of 1-amino-9,10-anthraquinone (AAQ on platinum substrate from aqueous media, where 5.0 × 10−3 mol L−1 AAQ and 6.0 mol L−1 H2SO4 were used. The kinetics of the electropolymerization process was investigated by determining the change of the charge consumed during the polymerization process with time at different concentrations of both monomer and electrolyte. The results have shown that the process follows first order kinetics with respect to the monomer concentration. The order of the reaction with respect to the aqueous solvent i.e. H2SO4 was found to be negative. The polymer films were successfully used as sensors for the electroanalytical determination of many hazardous compounds, e.g. phenols, and biologically important materials like dopamine. The electroanalytical determination was based on the measurements of the oxidation current peak of the material in the cyclic voltammetric measurements. The cyclic voltammograms were recorded at a scan rate of 100 mV s−1 and different analyte concentrations. A calibration curve was constructed for each analyte, from which the determination of low concentrations of catechol and hydroquinone (HQ as examples of hazardous compounds present in waste water and also for ascorbic acid and dopamine as examples of valuable biological materials can be achieved.

  9. Evaluation of polymer inclusion membranes containing crown ethers for selective cesium separation from nuclear waste solution.

    Science.gov (United States)

    Mohapatra, P K; Lakshmi, D S; Bhattacharyya, A; Manchanda, V K

    2009-09-30

    Transport behaviour of (137)Cs from nitric acid feed was investigated using cellulose triacetate plasticized polymer inclusion membrane (PIM) containing several crown ether carriers viz. di-benzo-18-crown-6 (DB18C6), di-benzo-21-crown-7 (DB21C7) and di-tert-butylbenzo-18-crown-6 (DTBB18C6). The PIM was prepared from cellulose triacetate (CTA) with various crown ethers and plasticizers. DTBB18C6 and tri-n-butyl phosphate (TBP) were found to give higher transport rate for (137)Cs as compared to other carriers and plasticizers. Effect of crown ether concentration, nitric acid concentration, plasticizer and CTA concentration on the transport rate of Cs was also studied. The Cs selectivity with respect to various fission products obtained from an irradiated natural uranium target was found to be heavily dependent on the nature of the plasticizer. The present work shows that by choosing a proper plasticizer, one can get either good transport efficiency or selectivity. Though TBP plasticized membranes showed good transport efficiency, it displayed poor selectivities. On the other hand, an entirely opposite separation behaviour was observed with 2-nitrophenyloctylether (NPOE) plasticized membranes suggesting the possible application of the later membranes for the removal of bulk (137)Cs from the nuclear waste. The stability of the membrane was tested by carrying out transport runs for nearly 25 days.

  10. Fully Solution-Processed Inverted Polymer Solar Cells with Laminated Nanowire Electrodes

    KAUST Repository

    Gaynor, Whitney

    2010-01-26

    We demonstrate organic photovoltaic cells in which every layer is deposited by solution processing on opaque metal substrates, with efficiencies similar to those obtained in conventional device structures on transparent substrates. The device architecture is enabled by solution-processed, laminated silver nanowire films serving as the top transparent anode. The cells are based on the regioregular poly(3- hexylthiophene) and C 61 butyric acid methyl ester bulk heterojunction and reach an efficiency of 2.5% under 100 mW/cm 2 of AM 1.5G illumination. The metal substrates are adequate barriers to moisture and oxygen, in contrast to transparent plastics that have previously been used, giving rise to the possibility of roll-to-roll solutionprocessed solar cells that are packaged by lamination to glass substrates, combining the cost advantage of roll-toroll processing with the barrier properties of glass and metal foil. © 2010 American Chemical Society.

  11. Phase separation of polymer solutions. The calculation of the cloudpoint curve with a concentration and temperature-dependent free energy correction parameter

    NARCIS (Netherlands)

    Emmerik, van P.T.; Smolders, C.A.

    1973-01-01

    The free enthalpy correction parameter g in the Flory-Huggins equation for the Gibbs free enthalpy of mixing in polymer solutions is considered generally as a concentration- and temperature-independent parameter. It has been extended here with linear concentration- and temperature-dependent terms. W

  12. Phase separation in polymer solutions. II. Determination of thermodynamic parameters of poly (2,6-dimethyl-1,4-phenylene oxide) toluene mixtures

    NARCIS (Netherlands)

    Emmerik, van P.T.; Smolders, C.A.

    1972-01-01

    In liquid systems where it is possible to perform light scattering experiments at the melting points of polymer solutions without nucleation taking place because of undercooling, the thermodynamic parameters necessary to calculate the correction parameter g in the Flory-Huggins equation as modified

  13. Inorganic polymers from laterite using activation with phosphoric acid and alkaline sodium silicate solution: Mechanical and microstructural properties

    Energy Technology Data Exchange (ETDEWEB)

    Lassinantti Gualtieri, Magdalena, E-mail: magdalena.gualtieri@unimore.it [Dipartimento di Ingegneria " Enzo Ferrari" , Università degli studi di Modena e Reggio Emilia, Via Vignolese 905/a, I-41125 Modena (Italy); Romagnoli, Marcello [Dipartimento di Ingegneria " Enzo Ferrari" , Università degli studi di Modena e Reggio Emilia, Via Vignolese 905/a, I-41125 Modena (Italy); Pollastri, Simone; Gualtieri, Alessandro F. [Dipartimento di Scienze Chimiche e Geologiche, Università degli studi di Modena e Reggio Emilia, Via S. Eufemia 19I, I-41121 Modena (Italy)

    2015-01-15

    Geopolymers from laterite, an iron-rich soil available in developing countries, have great potential as building materials. In this work, laterite from Togo (Africa) was used to prepare geopolymers using both phosphoric acid and alkaline sodium silicate solution. Microstructural properties were investigated by scanning electron microscopy, X-ray powder diffraction and mercury porosimetry, whereas thermal properties were evaluated by thermal analyses. The local environment of iron was studied by X-ray Absorption Spectroscopy (XANES region). The mechanical properties were determined. Modulus of Rupture and Young's modulus fell in the ranges 3.3–4.5 MPa and 12–33 GPa, respectively, rendering the materials good candidates for construction purposes. Heating above 900 °C results in weight-gain, presumably due to iron redox reactions. X-ray Absorption Spectroscopy data evidence changes in the chemical and structural environments of iron following thermal treatment of geopolymers. These changes indicate interaction between the geopolymer structure and iron during heating, possibly leading to redox properties. -- Highlights: •Geopolymerization of laterite is promising for fabrication of building materials. •Both phosphoric acid and alkaline sodium silicate solution can be used for activation. •Thermally activated redox properties of the inorganic polymers were observed.

  14. Characterization of Associating Polymer (AP) Solutions. Influences on flow behavior by the degree of hydrophobicity and salinity

    OpenAIRE

    Perttamo, Elise Kvåle

    2013-01-01

    The most applied polymer today for chemical improved oil recovery (IOR) processes, such as polymer flood and/or polymer well treatments, is the synthetic partially hydrolyzed polyacrylamide (HPAM) and its derivatives. Several field projects have been carried out utilizing HPAM, and the observed trend is that these polymers show low shear stress stability and low salt tolerance. They are also sensitive to elevated reservoir temperatures. More robust, efficient and cost- effective thickeners ar...

  15. LOW TEMPERATURE OPTICAL PROPERTIES OF AMORPHOUS OXIDE NANOCLUSTERS IN POLYMETHYL METHACRYLATE MATRIX

    Institute of Scientific and Technical Information of China (English)

    V. V. VOLKOV; WANG ZHONG-LIN; Zou BING-SUO; XIE SI-SHEN

    2000-01-01

    We studied the temperature-dependent steady-state and time-resolved fluorescence properties of very small (1-2 nm) ZnO, CdO, and PbO amorphous nanoclusters prepared in AOT reverse micelles and imbedded in polymethyl methacrylate(PMMA) films. X-ray diffraction and electron diffraction and imaging indicate that these structures are amorphous. These amorphous oxide nanoclusters demonstrate similar structural, electronic, and optical properties. Properties of steady-state fluorescence spectra indicate the unique localization of electronic states due to the amorphous structure. ZnO and CdO show double-band fluorescence structure, which is due to the spin-orbital splitting, similar to Cu2O. Time-resolved fluorescence studies of the nanoclusters in the polymer reveal two lifetime components, as found in solution. The slow component reflects relaxation processes from band-tail states while the fast component may be related to high-lying extended states. The temperature dependence of fast fluorescence component reveals the presence of exciton hopping between anharmonic wells at temperatures higher than 200K. We correlate the barrier height between two wells formed around local atoms with the inter-atomic distance and bond ionicity.

  16. 曝氧和杀菌对含聚污水稀释聚合物溶液黏度的影响%Effect of Oxygen Exposure and Sterilization on Viscosity of Polymer Solution in Polymer Contained Wastewater

    Institute of Scientific and Technical Information of China (English)

    贾振福; 钟静霞

    2016-01-01

    含聚污水中所含的Fe2+、S2-等还原物质和细菌对聚合物溶液有降解作用,直接用含聚污水配制聚合物溶液影响聚合物溶液的驱油效果.利用曝氧、杀菌及曝氧与杀菌相结合的3种技术,对含聚污水进行处理,再用处理过的含聚污水稀释聚合物溶液,测量稀释后聚合物溶液黏度的变化,分析曝氧和杀菌对含聚污水稀释聚合物溶液黏度的影响.实验表明,采取曝氧(10 min)及投加杀菌剂(40 mg/L)相结合的处理方法,能明显地提高所稀释聚合物溶液的黏度,并改善其稳定性,与采用单一的曝氧或杀菌技术处理污水相比,所稀释聚合物溶液黏度稳定性更好,黏度下降率仅为9.26%.%Fe2+, S2-and other reducing substances and bacteria in polymer contained waste-water, which have the degradation effect to polymer solution. Direct use of poly containing wastewater can affect the effect of polymer solution. Three kinds of treatment technologies were combined,which were oxygen exposure, sterilization, oxygen exposure and sterilization . The polymer solution was treated by the polymer contained wastewater, and the viscosity of polymer solution was measured. The experimental results show that the combination of sterilization (40 mg/L) with oxygen exposure(10 min), can significantly improve the viscosity and improve the stability of dilute polymer solution,and it is more stable than the single aera-tion or sterilization technology. The viscosity decrease rate is only 9.26%.

  17. Roll to Roll Electric Field "Z" Alignment of Nanoparticles from Polymer Solutions for Manufacturing Multifunctional Capacitor Films.

    Science.gov (United States)

    Guo, Yuanhao; Batra, Saurabh; Chen, Yuwei; Wang, Enmin; Cakmak, Miko

    2016-07-20

    A roll to roll continuous processing method is developed for vertical alignment ("Z" alignment) of barium titanate (BaTiO3) nanoparticle columns in polystyrene (PS)/toluene solutions. This is accomplished by applying an electric field to a two-layer solution film cast on a carrier: one is the top sacrificial layer contacting the electrode and the second is the polymer solution dispersed with BaTiO3 particles. Flexible Teflon coated mesh is utilized as the top electrode that allows the evaporation of solvent through the openings. The kinetics of particle alignment and chain buckling is studied by the custom-built instrument measuring the real time optical light transmission during electric field application and drying steps. The nanoparticles dispersed in the composite bottom layer form chains due to dipole-dipole interaction under an applied electric field. In relatively weak electric fields, the particle chain axis tilts away from electric field direction due to bending caused by the shrinkage of the film during drying. The use of strong electric fields leads to maintenance of alignment of particle chains parallel to the electric field direction overcoming the compression effect. At the end of the process, the surface features of the top porous electrodes are imprinted at the top of the top sacrificial layer. By removing this layer a smooth surface film is obtained. The nanocomposite films with "Z" direction alignment of BaTiO3 particles show substantially increased dielectric permittivity in the thickness direction for enhancing the performance of capacitors. PMID:27322765

  18. Roll to Roll Electric Field "Z" Alignment of Nanoparticles from Polymer Solutions for Manufacturing Multifunctional Capacitor Films.

    Science.gov (United States)

    Guo, Yuanhao; Batra, Saurabh; Chen, Yuwei; Wang, Enmin; Cakmak, Miko

    2016-07-20

    A roll to roll continuous processing method is developed for vertical alignment ("Z" alignment) of barium titanate (BaTiO3) nanoparticle columns in polystyrene (PS)/toluene solutions. This is accomplished by applying an electric field to a two-layer solution film cast on a carrier: one is the top sacrificial layer contacting the electrode and the second is the polymer solution dispersed with BaTiO3 particles. Flexible Teflon coated mesh is utilized as the top electrode that allows the evaporation of solvent through the openings. The kinetics of particle alignment and chain buckling is studied by the custom-built instrument measuring the real time optical light transmission during electric field application and drying steps. The nanoparticles dispersed in the composite bottom layer form chains due to dipole-dipole interaction under an applied electric field. In relatively weak electric fields, the particle chain axis tilts away from electric field direction due to bending caused by the shrinkage of the film during drying. The use of strong electric fields leads to maintenance of alignment of particle chains parallel to the electric field direction overcoming the compression effect. At the end of the process, the surface features of the top porous electrodes are imprinted at the top of the top sacrificial layer. By removing this layer a smooth surface film is obtained. The nanocomposite films with "Z" direction alignment of BaTiO3 particles show substantially increased dielectric permittivity in the thickness direction for enhancing the performance of capacitors.

  19. Selective removal/recovery of RCRA metals from waste and process solutions using polymer filtration{trademark} technology

    Energy Technology Data Exchange (ETDEWEB)

    Smith, B.F. [Los Alamos National Lab., NM (United States)

    1997-10-01

    Resource Conservation and Recovery Act (RCRA) metals are found in a number of process and waste streams at many DOE, U.S. Department of Defense, and industrial facilities. RCRA metals consist principally of chromium, mercury, cadmium, lead, and silver. Arsenic and selenium, which form oxyanions, are also considered RCRA elements. Discharge limits for each of these metals are based on toxicity and dictated by state and federal regulations (e.g., drinking water, RCRA, etc.). RCRA metals are used in many current operations, are generated in decontamination and decommissioning (D&D) operations, and are also present in old process wastes that require treatment and stabilization. These metals can exist in solutions, as part of sludges, or as contaminants on soils or solid surfaces, as individual metals or as mixtures with other metals, mixtures with radioactive metals such as actinides (defined as mixed waste), or as mixtures with a variety of inert metals such as calcium and sodium. The authors have successfully completed a preliminary proof-of-principle evaluation of Polymer Filtration{trademark} (PF) technology for the dissolution of metallic mercury and have also shown that they can remove and concentrate RCRA metals from dilute solutions for a variety of aqueous solution types using PF technology. Another application successfully demonstrated is the dilute metal removal of americium and plutonium from process streams. This application was used to remove the total alpha contamination to below 30 pCi/L for the wastewater treatment plant at TA-50 at Los Alamos National Laboratory (LANL) and from nitric acid distillate in the acid recovery process at TA-55, the Plutonium Facility at LANL (ESP-CP TTP AL16C322). This project will develop and optimize the PF technology for specific DOE process streams containing RCRA metals and coordinate it with the needs of the commercial sector to ensure that technology transfer occurs.

  20. Removal of uranium(VI) from aqueous solutions by CMK-3 and its polymer composite

    International Nuclear Information System (INIS)

    The ability of PANI–CMK-3 composite (PANI–CMK-3) by in site polymerizing aniline onto the surface of mesoporous carbon (CMK-3) has been explored for the removal and recovery of uranium from aqueous solutions. The results of FTIR, SEM, TG/DTA and N2 adsorption–desorption demonstrated that aniline was successfully polymerized onto the inside and outside surface of CMK-3 rather than occupying the mesopore. The U(VI) sorption on PANI–CMK-3 was well fitted to the Langmuir adsorption isothermal and pseudo-second kinetics models. The monolayer maximum capacity of PANI–CMK-3 was improved from 50.12 mg g−1 of CMK-3 to 118.30 mg g−1 at 298 K due to the imine and amine groups in PANI. The thermodynamic parameters (ΔH, ΔS and ΔG) showed the U(VI) adsorption on CMK-3–PANI and CMK-3 were all endothermic and spontaneous in nature. Selective adsorption experiments (co-existing ions, Na+, Mg2+, Zn2+, Mn2+, Ni2+ and Sr2+) show that the selectivity of CMK-3 was enhanced after aniline polymerization. Moreover, the U(VI) adsorbed on the surface of PANI–CMK-3 can be eluated by 1.0 mol L−1 HCl solution with high desorption rate of 98%

  1. Solubilization equilibria of alcohols and polymers in micellar solutions; NMR paramagnetic relaxation studies

    Energy Technology Data Exchange (ETDEWEB)

    Zhisheng Gao; Kwak, J.C.T.; Labonte, R.; Marangoni, D.G.; Wasylishem, R.E. (Dalhousie Univ., Halifax, NS (Canada). Dept. of Chemistry)

    1990-04-01

    The solubilization equilibria of some typical alcohols in cationic, anionic, and nonionic surfactant micellar solutions were investigated using the NMR paramagnetic relaxation method. The degree of solubilizate in the micellar phase, p, was determined by monitoring the change in the {sup 1}H spin-lattice relaxation rate of the solubilizate upon the addition of paramagnetic ions to the aqueous phase. Hydrophilic paramagnetic ions, which sould have the same sign of charge as the micellar surface for the case of ionic surfactant systems, were used to enhance the spin-lattice relaxation rate of solubulizate in the aqueous phase. The degree of solubilization obtained is, within experimental error, independent of the concentration of the paramagnetic ion concentration. The results obtained using different paramagnetic ions are in good agreement. The paramagnetic relaxation method was also used to determine the degree of solubilization of poly(ethylene oxide) in two surfactant solutions, sodium {omega}-pheyldecanoate and sodium dodecyl sulfate. (author). 43 refs.; 2 figs.; 6 tabs.

  2. Microfluidic rheometry of a polymer solution by micron resolution particle image velocimetry: a model validation study

    International Nuclear Information System (INIS)

    The main purpose of this study is to model non-Newtonian fluid flows in microgeometries. Velocity fields of dilute xanthan gum solutions in a microfluidic T-junction have been measured for pressure-driven flow using micron resolution particle image velocimetry (µ-PIV). Xanthan gum at a fixed concentration is a power-law fluid. Varying the concentration changes the rheology, effectively altering the power-law parameters reflecting the changes in the fluid's shear response since viscoelasticity and extensional viscosity are negligible for dilute solutions of this substance. As the flow is forced to turn the corner of the T-junction, a range of shear rates, and hence viscosities, is produced. If this feature could be incorporated into a viscometer, then potentially the constitutive parameters of a complex fluid could be ascertained from a single experiment. A mathematical model based on a finite element technique has been developed to simulate the fluid flow in the experimental system. Model predictions of the velocity field are found to agree well (less than 5% error) with observations, thus validating the model

  3. Solubility of crystalline organic compounds in high and low molecular weight amorphous matrices above and below the glass transition by zero enthalpy extrapolation.

    Science.gov (United States)

    Amharar, Youness; Curtin, Vincent; Gallagher, Kieran H; Healy, Anne Marie

    2014-09-10

    Pharmaceutical applications which require knowledge of the solubility of a crystalline compound in an amorphous matrix are abundant in the literature. Several methods that allow the determination of such data have been reported, but so far have only been applicable to amorphous polymers above the glass transition of the resulting composites. The current work presents, for the first time, a reliable method for the determination of the solubility of crystalline pharmaceutical compounds in high and low molecular weight amorphous matrices at the glass transition and at room temperature (i.e. below the glass transition temperature), respectively. The solubilities of mannitol and indomethacin in polyvinyl pyrrolidone (PVP) K15 and PVP K25, respectively were measured at different temperatures. Mixtures of undissolved crystalline solute and saturated amorphous phase were obtained by annealing at a given temperature. The solubility at this temperature was then obtained by measuring the melting enthalpy of the crystalline phase, plotting it as a function of composition and extrapolating to zero enthalpy. This new method yielded results in accordance with the predictions reported in the literature. The method was also adapted for the measurement of the solubility of crystalline low molecular weight excipients in amorphous active pharmaceutical ingredients (APIs). The solubility of mannitol, glutaric acid and adipic acid in both indomethacin and sulfadimidine was experimentally determined and successfully compared with the difference between their respective calculated Hildebrand solubility parameters. As expected from the calculations, the dicarboxylic acids exhibited a high solubility in both amorphous indomethacin and sulfadimidine, whereas mannitol was almost insoluble in the same amorphous phases at room temperature. This work constitutes the first report of the methodology for determining an experimentally measured solubility for a low molecular weight crystalline solute

  4. Non-monotonic course of protein solubility in aqueous polymer-salt solutions can be modeled using the sol-mxDLVO model.

    Science.gov (United States)

    Herhut, Marcel; Brandenbusch, Christoph; Sadowski, Gabriele

    2016-02-01

    Protein purification is often performed using cost-intensive chromatographic steps. To discover economic alternatives (e.g., crystallization), knowledge on protein solubility as a function of temperature, pH, and additives in solution as well as their concentration is required. State-of-the-art models for predicting protein solubility almost exclusively consider aqueous salt systems, whereas "salting-in" and "salting-out" effects induced by the presence of an additional polymer are not considered. Thus, we developed the sol-mxDLVO model. Using this newly developed model, protein solubility in the presence of one salt and one polymer, especially the non-monotonic course of protein solubility, could be predicted. Systems considered included salts (NaCl, Na-p-Ts, (NH(4))(2) SO(4)) and the polymer polyethylene glycol (MW: 2000 g/mol, 12000 g/mol) and proteins lysozyme from chicken egg white (pH 4 to 5.5) and D-xylose ketol-isomerase (pH 7) at 298.15 K. The results show that by using the sol-mxDLVO model, protein solubility in polymer-salt solutions can be modeled in good agreement with the experimental data for both proteins considered. The sol-mxDLVO model can describe the non-monotonic course of protein solubility as a function of polymer concentration and salt concentration, previously not covered by state-of-the-art models.

  5. Polymer Chemistry

    Science.gov (United States)

    Williams, Martha; Roberson, Luke; Caraccio, Anne

    2010-01-01

    This viewgraph presentation describes new technologies in polymer and material chemistry that benefits NASA programs and missions. The topics include: 1) What are Polymers?; 2) History of Polymer Chemistry; 3) Composites/Materials Development at KSC; 4) Why Wiring; 5) Next Generation Wiring Materials; 6) Wire System Materials and Integration; 7) Self-Healing Wire Repair; 8) Smart Wiring Summary; 9) Fire and Polymers; 10) Aerogel Technology; 11) Aerogel Composites; 12) Aerogels for Oil Remediation; 13) KSC's Solution; 14) Chemochromic Hydrogen Sensors; 15) STS-130 and 131 Operations; 16) HyperPigment; 17) Antimicrobial Materials; 18) Conductive Inks Formulations for Multiple Applications; and 19) Testing and Processing Equipment.

  6. Removal of uranium(VI) from aqueous solutions by CMK-3 and its polymer composite

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yunhai; Li, Qin; Cao, Xiaohong; Wang, Youqun [State Key Laboratory Breeding Base of Nuclear Resources and Environment, East China Institute of Technology, Ministry of Education, Nanchang 330013 (China); Department of Chemistry, Biological and Materials Sciences, East China Institute of Technology, Fuzhou 344000 (China); Jiang, Xiaohui [Department of Chemistry, Biological and Materials Sciences, East China Institute of Technology, Fuzhou 344000 (China); Tianshan Uranium Co., Ltd., China National Nuclear Corporation, Yining 835000 (China); Li, Min; Hua, Ming [State Key Laboratory Breeding Base of Nuclear Resources and Environment, East China Institute of Technology, Ministry of Education, Nanchang 330013 (China); Zhang, Zhibin, E-mail: zhangnjut@163.com [State Key Laboratory Breeding Base of Nuclear Resources and Environment, East China Institute of Technology, Ministry of Education, Nanchang 330013 (China); Department of Chemistry, Biological and Materials Sciences, East China Institute of Technology, Fuzhou 344000 (China)

    2013-11-15

    The ability of PANI–CMK-3 composite (PANI–CMK-3) by in site polymerizing aniline onto the surface of mesoporous carbon (CMK-3) has been explored for the removal and recovery of uranium from aqueous solutions. The results of FTIR, SEM, TG/DTA and N{sub 2} adsorption–desorption demonstrated that aniline was successfully polymerized onto the inside and outside surface of CMK-3 rather than occupying the mesopore. The U(VI) sorption on PANI–CMK-3 was well fitted to the Langmuir adsorption isothermal and pseudo-second kinetics models. The monolayer maximum capacity of PANI–CMK-3 was improved from 50.12 mg g{sup −1} of CMK-3 to 118.30 mg g{sup −1} at 298 K due to the imine and amine groups in PANI. The thermodynamic parameters (ΔH, ΔS and ΔG) showed the U(VI) adsorption on CMK-3–PANI and CMK-3 were all endothermic and spontaneous in nature. Selective adsorption experiments (co-existing ions, Na{sup +}, Mg{sup 2+}, Zn{sup 2+}, Mn{sup 2+}, Ni{sup 2+} and Sr{sup 2+}) show that the selectivity of CMK-3 was enhanced after aniline polymerization. Moreover, the U(VI) adsorbed on the surface of PANI–CMK-3 can be eluated by 1.0 mol L{sup −1} HCl solution with high desorption rate of 98%.

  7. 聚合物溶液搅拌流场PIV测量初步%PIV measurements of polymer solution in stirred tank

    Institute of Scientific and Technical Information of China (English)

    张敏革; 张吕鸿; 姜斌; 李鑫钢

    2011-01-01

    采用粒子图像成像仪(PIV)对广泛应用于我国油田驱油用的聚合物溶液搅拌流场进行了测试。研究过程发现,由于聚合物溶液具有黏弹特征、透明度较差、其它透明物系又无法替代的特点,采用较大颗粒的示踪粒子、激光光强为400 mJ时,PIV仪器相机仍不能拍摄到浓度高于1000 mg/L聚合物溶液中示踪粒子的清晰图像;双螺带螺杆搅拌桨在浓度为1000 mg/L和500 mg/L聚合物溶液中的搅拌流场并没有像圆盘和圆球一样出现反向二次流现象,而是呈轴向大循环特征;在层流区域内,搅拌转速以及溶液浓度对搅拌槽内整体大循环特征影%The agitated flow field of polymer solution,which has been widely used to enhanced oil recovery in China,was measured by using particle image velocimetry(PIV).It was found that because the polymer solution has the properties of significant viscoelasticity,low transparency and irreplaceability by any clear liquid,the camera in PIV system could not shoot the distanced images of tracer particle in polymer solution at the concentration above 1000 mg/L,even with greater size tracer particle and higher laser intensity.The flow field stirred by double helical ribbon and screw impeller in the polymer solution at the concentration of 1000 mg/L and 500 mg/L showed axial circulation characteristics,unlike the flow field agitated by disk or sphere in polymer solution which showed reverse secondary flow.In laminar region,the agitation speed and solution concentration had little effect on the whole circulation flow feature in stirred tank.Research in this paper indicated that double helical ribbon screw impeller was suitable for agitating and mixing the polymer solution.

  8. Liquid-liquid transition in supercooled aqueous solution involving a low-temperature phase similar to low-density amorphous water

    CERN Document Server

    Woutersen, Sander; Zhao, Zuofeng; Angell, C Austen

    2016-01-01

    The striking anomalies in physical properties of supercooled water that were discovered in the 1960-70s, remain incompletely understood and so provide both a source of controversy amongst theoreticians, and a stimulus to experimentalists and simulators to find new ways of penetrating the "crystallization curtain" that effectively shields the problem from solution. Recently a new door on the problem was opened by showing that, in ideal solutions, made using ionic liquid solutes, water anomalies are not destroyed as earlier found for common salt and most molecular solutes, but instead are enhanced to the point of precipitating an apparently first order liquid-liquid transition. The evidence was a spike in apparent heat capacity during cooling that could be fully reversed during reheating before any sign of ice crystallization appeared. Here, we use decoupled-oscillator infrared spectroscopy to define the structural character of this phenomenon using similar down and upscan rates as in the calorimetric study. Th...

  9. Research on Oil Displacement Feasibility of Polymer Solution Diluted by Polymer Flooding Sewage%聚驱污水稀释聚合物溶液驱油效果可行性研究

    Institute of Scientific and Technical Information of China (English)

    张继红; 徐思宁

    2016-01-01

    针对大庆油田聚合物驱过程中,清水用量日益紧张、采出污水处理难度加大、采出污水回注问题严重等现状,利用采出污水代替清水稀释聚合物溶液驱油受到普遍重视。本文针对聚驱污水的特点,通过聚驱污水和深度处理污水水质对比分析,确定利用曝氧和杀菌处理后的聚驱污水进行流动特性实验以及驱油实验。结果表明,与深度处理污水相比,处理后聚驱污水稀释的聚合物溶液残余阻力系数高,降低水相渗透率的能力增强,有利于提高采收率;相同渗透率、相同分子质量、相同浓度条件下,与深度处理污水稀释聚合物溶液的驱油效果相比还不理想,采收率提高值相差1%左右;若要达到与深度处理污水稀释的聚合物溶液驱油的效果,则应适当地提高聚驱污水稀释聚合物溶液的浓度。%In the process of polymer flooding in daqing oilfield,there are some problems such as water consumption growing tensions,sewage treatment increasing more differences and the problem of injecting sewage becoming serious.Using the produced sewage instead of water to dilute polymer solution flooding will be widely attached.Aiming at the characteristics of polymer flooding sewage depth by polymer flooding sewage and sewage water quality analysis,polymer flooding sewage by oxygen exposure and sterilization was used to study flow characteristics and oil displacement effect.Results show that, compared with deep treatment sewage,residual resistance coefficient with polymer solution is high after polymer flooding sewage dilution,the ability to reduce water phase permeability is enhanced,and recovery factor is improved.Under the same conditions of permeability,molecular weight,concentration,and depth of sewage displacement effect of polymer solution is not ideal compared to dilute oil,and the value of recovery efficiency differs by about 1%.The same effect with the polymer

  10. Corrosion resistant amorphous alloys

    International Nuclear Information System (INIS)

    A review of publication data on corrosion resistance of amorphous alloys and the methods of amorphization of surface layers of massive materials (laser treatment, iron implantation, detonation-gas spraying, cathode and ion sputtering, electrodeposition) was made. A study was made on corrosion properties of Fe66Cr11B10Si4 alloy in cast state and after laser irradiation, rendering the surface amorphous as well as the samples of Arenco iron and steel 20 with ion-plasma coatings of Fe-Cr-Ni-Ti alloy. It was established that amorphous coatings posses much higher corrosion resistance as compared to crystalline alloys on the same base

  11. Self-consistent field theoretic simulations of amphiphilic triblock copolymer solutions: Polymer concentration and chain length effects

    Directory of Open Access Journals (Sweden)

    X.-G. Han

    2014-06-01

    Full Text Available Using the self-consistent field lattice model, polymer concentration φP and chain length N (keeping the length ratio of hydrophobic to hydrophilic blocks constant the effects on temperature-dependent behavior of micelles are studied, in amphiphilic symmetric ABA triblock copolymer solutions. When chain length is increased, at fixed φP, micelles occur at higher temperature. The variations of average volume fraction of stickers φcos and the lattice site numbers Ncols at the micellar cores with temperature are dependent on N and φP, which demonstrates that the aggregation of micelles depends on N and φP. Moreover, when φP is increased, firstly a peak appears on the curve of specific heat CV for unimer-micelle transition, and then in addition a primary peak, the secondary peak, which results from the remicellization, is observed on the curve of CV. For a long chain, in intermediate and high concentration regimes, the shape of specific heat peak markedly changes, and the peak tends to be a more broad peak. Finally, the aggregation behavior of micelles is explained by the aggregation way of amphiphilic triblock copolymer. The obtained results are helpful in understanding the micellar aggregation process.

  12. Investigation of Poly(3,4-ethylenedioxythiophene:Poly(styrenesulfonate Hole Transport Layer for Solution-Processed Polymer Solar Cells

    Directory of Open Access Journals (Sweden)

    Chengxi Zhang

    2015-01-01

    Full Text Available The inverted polymer solar cell was prepared by self-made spray-coating system, and the poly(3,4-ethylenedioxythiophene:poly(styrenesulfonate (PEDOT:PSS hole transport layer was studied. 220 nm poly-(3-hexylthiophene:[6,6]-phenylC61butyric-acid methyl-ester (P3HT:PCBM and 40 nm PEDOT:PSS were deposited on ZnO thin film subsequently by solution spray coating. Different volume of isopropyl alcohol was introduced into PEDOT:PSS to decrease the contact angle and obtain the optimum Marangoni flow. The surface morphology and roughness of PEDOT:PSS films were characterized by atomic force microscopy with varied deposition temperature from 70°C to 160°C. The improvement of power conversion efficiency (PCE was attributed to the enhancement of vertical phase separation in PEDOT:PSS film, which improved the charge transfer in the bulk cell. The highest PCE of spray-coated PSCs reached 2.80% after postannealing for 10 min.

  13. Lithium ion conducting solid polymer blend electrolyte based on bio-degradable polymers

    Indian Academy of Sciences (India)

    Natarajan Rajeswari; Subramanian Selvasekarapandian; Moni Prabu; Shunmugavel Karthikeyan; C Sanjeeviraja

    2013-04-01

    Lithium ion conducting polymer blend electrolyte films based on poly(vinyl alcohol) (PVA) and poly(vinyl pyrrolidone) (PVP) with different Mwt% of lithium nitrate (LiNO3) salt, using a solution cast technique, have been prepared. The polymer blend electrolyte has been characterized by XRD, FTIR, DSC and impedance analyses. The XRD study reveals the amorphous nature of the polymer electrolyte. The FTIR study confirms the complex formation between the polymer and salt. The shifts in g values of 70 PVA–30 PVP blend and 70 PVA–30 PVP with different Mwt% of LiNO3 electrolytes shown by DSC thermograms indicate an interaction between the polymer and the salt. The dependence of g and conductivity upon salt concentration has been discussed. The ion conductivity of the prepared polymer electrolyte has been found by a.c. impedance spectroscopic analysis. The PVA–PVP blend system with a composition of 70 wt% PVA: 30 wt% PVP exhibits the highest conductivity of 1.58 × 10-6 Scm-1 at room temperature. Polymer samples of 70 wt% PVA–30 wt% PVP blend with different molecular weight percentage of lithium nitrate with DMSO as solvent have been prepared and studied. High conductivity of 6.828 × 10-4 Scm-1 has been observed for the composition of 70 PVA:30 PVP:25 Mwt% of LiNO3 with low activation energy 0.2673 eV. The conductivity is found to increase with increase in temperature. The temperature dependent conductivity of the polymer electrolyte follows the Arrhenius relationship which shows hopping of ions in the polymer matrix. The relaxation parameters () and () of the complexes have been calculated by using loss tangent spectra. The mechanical properties of polymer blend electrolyte such as tensile strength, elongation and degree of swelling have been measured and the results are presented.

  14. Characterization of proton conducting blend polymer electrolyte using PVA-PAN doped with NH4SCN

    Science.gov (United States)

    Premalatha, M.; Mathavan, T.; Selvasekarapandian, S.; Genova, F. Kingslin Mary; Umamaheswari, R.

    2016-05-01

    Polymer electrolytes with proton conductivity based on blend polymer using polyvinyl alcohol (PVA) and poly acrylo nitrile (PAN) doped with ammonium thiocyanate have been prepared by solution casting method using DMF as solvent. The complex formation between the blend polymer and the salt has been confirmed by FTIR Spectroscopy. The amorphous nature of the blend polymer electrolytes have been confirmed by XRD analysis. The highest conductivity at 303 K has been found to be 3.25 × 10-3 S cm-1 for 20 mol % NH4SCN doped 92.5PVA:7.5PAN system. The increase in conductivity of the doped blend polymer electrolytes with increasing temperature suggests the Arrhenius type thermally activated process. The activation energy is found to be low (0.066 eV) for the highest conductivity sample.

  15. Forward osmosis desalination using polymer hydrogels as a draw agent: influence of draw agent, feed solution and membrane on process performance.

    Science.gov (United States)

    Li, Dan; Zhang, Xinyi; Simon, George P; Wang, Huanting

    2013-01-01

    We have previously reported the use of hydrogel particles as the draw agent for forward osmosis desalination. In the present work, the effects of draw agent, feed concentration and membrane on the process performance were systematically examined. Our results showed that the incorporation of carbon filler particles in polymer hydrogels led to enhanced swelling ratios of the draw agents and thus higher water fluxes in the FO process. The composite polymer hydrogel particles of sizes ranging from 100 μm to 200 μm as draw agents induced greater water fluxes in FO desalination as compared with those with larger particle sizes (500-700 μm). Similar to other types of draw solutes, as the salt concentration in the feed increased, the water flux created by the polymer hydrogel draw agent decreased; the use of a cellulose triacetate forward osmosis membrane resulted in higher water flux compared with the use of a polyamide composite reverse osmosis membrane.

  16. Forward osmosis desalination using polymer hydrogels as a draw agent: influence of draw agent, feed solution and membrane on process performance.

    Science.gov (United States)

    Li, Dan; Zhang, Xinyi; Simon, George P; Wang, Huanting

    2013-01-01

    We have previously reported the use of hydrogel particles as the draw agent for forward osmosis desalination. In the present work, the effects of draw agent, feed concentration and membrane on the process performance were systematically examined. Our results showed that the incorporation of carbon filler particles in polymer hydrogels led to enhanced swelling ratios of the draw agents and thus higher water fluxes in the FO process. The composite polymer hydrogel particles of sizes ranging from 100 μm to 200 μm as draw agents induced greater water fluxes in FO desalination as compared with those with larger particle sizes (500-700 μm). Similar to other types of draw solutes, as the salt concentration in the feed increased, the water flux created by the polymer hydrogel draw agent decreased; the use of a cellulose triacetate forward osmosis membrane resulted in higher water flux compared with the use of a polyamide composite reverse osmosis membrane. PMID:23103058

  17. A study of the distribution of polymer/surfactant coacervate between solution and foam in archetypal shampoo systems.

    Science.gov (United States)

    Wilgus, Leigh Ann; Davis, Kathleen; Labeaud, Lauren; Gandolfi, Lisa; Lochhead, Robert Y

    2011-01-01

    The research reported here attempted to answer the question, "is the foam important in delivering coacervates from shampoos." In order to answer this question, we have measured the amount of polymer in the foam and in the liquid phases of several cationic polymer/anionic surfactant systems by gravimetry and by FTIR techniques. In all cases studied, we discovered that the concentration of solids and, especially the polymer, in the liquid phase and in the foam phase were essentially the same. We conclude that the foam is unlikely to be an important factor in the topical delivery of polymer/surfactant coacervates.

  18. MECHANICAL BEHAVIOR OF AMORPHOUS POLYMERS IN SHEAR

    Institute of Scientific and Technical Information of China (English)

    张赟; 黄筑平

    2004-01-01

    Based on the non-equilibrium thermodynamic theory, a new thermo-viscoelastic constitutive model for an incompressible material is proposed. This model can be considered as a kind of generalization of the non-Gaussian network theory in rubber elasticity to include the viscous and the thermal effects. A set of second rank tensorial internal variables was introduced, and in order to adequately describe the evolution of these internal variables, a new expression of the Helmholtz free energy was suggested. The mechanical behavior of the thermo-viscoelastic material under simple shear deformation was studied, and the "viscous dissipation induced" anisotropy due to the change of orientation distribution of molecular chains was examined. Influences of strain rate and thermal softening produced by the viscous dissipation on the shear stress were also discussed. Finally, the model predictions were compared with the experimental results performed by G'Sell et al., thus the validity of the proposed model is verified.

  19. Understanding Thermal Conductivity in Amorphous Materials

    Science.gov (United States)

    Kommandur, Sampath; Yee, Shannon

    2014-03-01

    Current energy technologies such as thermoelectrics, photovoltaics, and LEDs make extensive use of amorphous materials and are limited by heat transfer. Device improvements necessitate a better understanding of the thermal conductivity in amorphous materials. While there are basic theories that capture the trends in thermal conductivity of a select set of amorphous materials, a general framework is needed to explain the fundamental transport of heat in all amorphous materials. One empirical theory that has been successful at describing the thermal conductivity in some materials is the k-min model, however, assumptions in that model limit its generalizability. Another theory defines the existence of propagons, diffusons, and locons, which constitute vibrational modes that carry heat. Our work first presents a summary of literature on the thermal conductivity in amorphous materials and then compares those theories to a breadth of experimental data. Based upon those results, a generic model is proposed that is widely applicable with the ultimate goal of this work being to describe the temperature dependent thermal conductivity of polymers. -/abstract- Sampath Kommandur and Shannon K. Yee 21.1.1: Thermoelectric Phenomena, Materials, Devices, and Applications (GER

  20. Evaluation of conductive polymers as an adsorbent for eradication of As (III from aqueous solution using inductively coupled plasma optical emission spectroscopy (ICP-OES

    Directory of Open Access Journals (Sweden)

    Muhammad Imran Din

    2014-04-01

    Full Text Available 1024x768 The main focused of this research work is the preparation of conductive polymers like polypyrrole, polyaniline and polythiophene and their application as adsorbent materials for the removal of hyper toxic metal As (III from aqueous solution. The metal ions get attached on the π-electrons at the back bone of polymer that illustrate excellent affinity for metal ions. The adsorption of As (II ions was carried out on polythiophene due to its redox properties and the stronger interaction between sulfur atoms with arsenic atoms. To attain large surface area and for maximum interaction of As (III ions with polymers, the particle size of polymers was ranged in nano scale. As the surface area increases with decrease in particle size, the active sites for metal ions also increases. These polymers were characterized by FIIR spectroscopy and SEM analysis. Adsorption isothermal data was examined by two parameters (Langmuir, Freundlich, and Dubinin-Radushkevich and three parameters Redlich-Petrson, Sips and Toth models. Experimental results showed that based on standard deviation (SD and Chi square test (χ2 the experimental data was best explained by Freundlich and Toth isotherm. Thermodynamics parameters such as free energy change (ΔG0, enthalpy change (ΔH0 and entropy change (ΔS0 have been calculated respectively, which revealed the spontaneous, endothermic and feasible nature of adsorption process.   Normal 0 false false false EN-US X-NONE X-NONE

  1. Heat-induced solution mixing in thermo-responsive polymer-coated microchannels for the fluorometric determination of polyamines in saliva.

    Science.gov (United States)

    Saitoh, Tohru; Suzuki, Norio; Furuse, Takehiro; Hiraide, Masataka

    2009-12-15

    We developed a simple and easy method for solution mixing based on the heat-induced regulation of capillary action in thermo-responsive polymer-coated microchannels. The channels having two T-junctions were fabricated on a glass plate by a sand-blast technique and then coated with a poly(N-isopropylacrylamide) film. The polymer-coating was performed by the modification with allyltrimethoxysilane and the subsequent radical polymerization of N-isopropylacrylamide and N,N'-methylenebisacrylamide. When the channel was warmed by a Peltier device, a capillarity-based solution flow completely stopped because of the water-repellency of channel surfaces. On the other hand, the cooling of the channels allowed the restart of the solution flow through hydrophilic channels. Solution mixing downstream a T-junction was readily conducted by a Peltier device that had placed at the junction. The technique was applied to the fluorometric analysis of polyamines in saliva. The saliva sample was mixed with nickel(II) chloride solution at the first junction to mask amino acids and then mixed with o-phthalaldehyde solution at the second junction to form the fluorometric derivatives of polyamines. Blue fluorescence was observed downstream the second junction. Linear correlation was obtained between the emission intensity and the spermine concentration in the range of 20-100 microM. No mechanical pump or valve was required for the fluid manipulation.

  2. Heat-induced solution mixing in thermo-responsive polymer-coated microchannels for the fluorometric determination of polyamines in saliva.

    Science.gov (United States)

    Saitoh, Tohru; Suzuki, Norio; Furuse, Takehiro; Hiraide, Masataka

    2009-12-15

    We developed a simple and easy method for solution mixing based on the heat-induced regulation of capillary action in thermo-responsive polymer-coated microchannels. The channels having two T-junctions were fabricated on a glass plate by a sand-blast technique and then coated with a poly(N-isopropylacrylamide) film. The polymer-coating was performed by the modification with allyltrimethoxysilane and the subsequent radical polymerization of N-isopropylacrylamide and N,N'-methylenebisacrylamide. When the channel was warmed by a Peltier device, a capillarity-based solution flow completely stopped because of the water-repellency of channel surfaces. On the other hand, the cooling of the channels allowed the restart of the solution flow through hydrophilic channels. Solution mixing downstream a T-junction was readily conducted by a Peltier device that had placed at the junction. The technique was applied to the fluorometric analysis of polyamines in saliva. The saliva sample was mixed with nickel(II) chloride solution at the first junction to mask amino acids and then mixed with o-phthalaldehyde solution at the second junction to form the fluorometric derivatives of polyamines. Blue fluorescence was observed downstream the second junction. Linear correlation was obtained between the emission intensity and the spermine concentration in the range of 20-100 microM. No mechanical pump or valve was required for the fluid manipulation. PMID:19836588

  3. Amorphous iron (II) carbonate

    DEFF Research Database (Denmark)

    Sel, Ozlem; Radha, A.V.; Dideriksen, Knud;

    2012-01-01

    Abstract The synthesis, characterization and crystallization energetics of amorphous iron (II) carbonate (AFC) are reported. AFC may form as a precursor for siderite (FeCO3). The enthalpy of crystallization (DHcrys) of AFC is similar to that of amorphous magnesium carbonate (AMC) and more...

  4. Study on the substrate-induced crystallisation of amorphous SiC-precursor ceramics. TIB/A; Untersuchungen zur substratinduzierten Kristallisation amorpher SiC-Precursorkeramiken

    Energy Technology Data Exchange (ETDEWEB)

    Rau, C.

    2000-12-01

    In the present thesis the crystallization behaviour of amorphous silicon-carbon materials (SiC{sub x}) was studied. The main topic of the experimental studies formed thereby the epitactical crystallization of thin silicon carbide layers on monocrystalline substrates of silicon carbides or silicon. Furthermore by thermolysis of the polymer amorphous SiC{sub x}-powder was obtained.

  5. Amino acids as co-amorphous stabilizers for poorly water soluble drugs--Part 1: preparation, stability and dissolution enhancement.

    Science.gov (United States)

    Löbmann, Korbinian; Grohganz, Holger; Laitinen, Riikka; Strachan, Clare; Rades, Thomas

    2013-11-01

    Poor aqueous solubility of an active pharmaceutical ingredient (API) is one of the most pressing problems in pharmaceutical research and development because up to 90% of new API candidates under development are poorly water soluble. These drugs usually have a low and variable oral bioavailability, and therefore an unsatisfactory therapeutic effect. One of the most promising approaches to increase dissolution rate and solubility of these drugs is the conversion of a crystalline form of the drug into its respective amorphous form, usually by incorporation into hydrophilic polymers, forming glass solutions. However, this strategy only led to a small number of marketed products usually because of inadequate physical stability of the drug (crystallization). In this study, we investigated a fundamentally different approach to stabilize the amorphous form of drugs, namely the use of amino acids as small molecular weight excipients that form specific molecular interactions with the drug resulting in co-amorphous forms. The two poorly water soluble drugs carbamazepine and indomethacin were combined with amino acids from the binding sites of the biological receptors of these drugs. Mixtures of drug and the amino acids arginine, phenylalanine, tryptophan and tyrosine were prepared by vibrational ball milling. Solid-state characterization with X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) revealed that the various blends could be prepared as homogeneous, single phase co-amorphous formulations indicated by the appearance of an amorphous halo in the XRPD diffractograms and a single glass transition temperature (Tg) in the DSC measurements. In addition, the Tgs of the co-amorphous mixtures were significantly increased over those of the individual drugs. The drugs remained chemically stable during the milling process and the co-amorphous formulations were generally physically stable over at least 6 months at 40 °C under dry conditions. The

  6. Composition and structure of polymer products formed in UO2SO4 extracts with benzene solutions of uranyl di-2-ethylhexylphosphate

    International Nuclear Information System (INIS)

    Methods of 31P NMR and IR spectroscopy were used to establish, that one or two UO2SO4 molecules jointed to certain chains of (UO2X2)p polymer molecules, forming chains of [UO2X2·UO2SO4·2L] and [UO2X2·2UO2SO4·6L] compositions, in UO2SO4 extracts, prepared from its neutral aqueous solutions by benzene solutions of uranyl di-2-ethylhexylphosphate (UO2X2) in the presence of donor-active additions L= TBP or DOSO. The structure of these chains was determined. It is shown that distribution of UO2SO4 molecules over the polymer chain corresponds to average statistic one. 10 refs., 2 figs., 4 tabs

  7. Locomotion of Amorphous Surface Robots

    Science.gov (United States)

    Bradley, Arthur T. (Inventor)

    2016-01-01

    An amorphous robot includes a compartmented bladder containing fluid, a valve assembly, and an outer layer encapsulating the bladder and valve assembly. The valve assembly draws fluid from a compartment(s) and discharges the drawn fluid into a designated compartment to displace the designated compartment with respect to the surface. Another embodiment includes elements each having a variable property, an outer layer that encapsulates the elements, and a control unit. The control unit energizes a designated element to change its variable property, thereby moving the designated element. The elements may be electromagnetic spheres with a variable polarity or shape memory polymers with changing shape and/or size. Yet another embodiment includes an elongated flexible tube filled with ferrofluid, a moveable electromagnet, an actuator, and a control unit. The control unit energizes the electromagnet and moves the electromagnet via the actuator to magnetize the ferrofluid and lengthen the flexible tube.

  8. Optical multilayer films based on an amorphous fluoropolymer

    International Nuclear Information System (INIS)

    Multilayered coatings were made by physical vapor deposition (PVD) of a perfluorinated amorphous polymer, Teflon AF2400, and with other optical materials. A high reflector for 1064 nm light was made with ZnS and AF2400. An all-organic 1064 nm reflector was made from AF2400 and polyethylene. Oxide (HfO2 and SiO2) compatibility with AF2400 was also tested. The multilayer morphologies were influenced by coating stress and unintentional temperature rises from the PVD process. Analysis by liquid nuclear magnetic resonance of the thin films showed slight compositional variations between the coating and starting materials of perfluorinated amorphous polymers

  9. Hyperbranched Polymer-Based Electrolyte for Lithium Polymer Batteries

    Institute of Scientific and Technical Information of China (English)

    Takahito Itoh

    2005-01-01

    @@ 1Introduction Solid polymer electrolytes have attracted much attention as electrolyte materials for all solid-state recharge able lithium batteries, and poly ( ethylene oxide) ( PEO)-based polymer electrolytes are among the most intensively studied systems[1-3]. Hyperbranched polymers have unique properties such as completely amorphous, highly soluble in common organic solvent and processible because of the highly branched nature[4,5].

  10. Nanofabrication in Polymer Solutions

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    This review covers recent advances in fabrication of nanomaterials in polymersolutions with emphasis on using the self-assembled amphiphilic block copolymers in solutionto fabricate organic/inorganic composites with nanoscale modifications. The phase behaviorof block copolymers in water and the use of templates to form ordered nanostructures arereviewed in detail. Modern physical techniques for nanoscale characterization are alsointroduced. The authors suggested that this approach should provide new routes to creatematerials with interesting morphologies for many different applications.

  11. Rheological Behavior for Polymer Melts and Concentrated Solutions Part VII: A Quantitative Verification for the Molecular Theory of Non-linear Viscoelasticity with Entanglement Constraints in Polymer Melts

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Based on the molecular theory of non-linear viscoelasticity with constrained entanglements in polymer melts, the material functions in simple shear flow were formulated, the theoretical relations between η(),ψ10()and shear rate(),and topologically constrained dimension number n'and a were derived. Linear viscoelastic parameters (η0 and G0N)and topologically constrained dimension number (n',a and )as a function of the primary molecular weight(Mn),molecular weight between entanglements (Mc) and the entanglement sites sequence distribution in polymer chain were determined. A new method for determination of viscoelastic parameters (η0,ψ10,G0N and J0e),topologically constrained dimension number(n',a and v)and molecularweight (Mn, Mc and Me) from the shear flow measurements was proposed.It was used to determine those parameters and structures of HDPE, making a good agreement between these values and those obtained by other methods. The agreement affords a quantitative verification for the molecular theory of nonlinear viscoelasticity with constrained entanglement in polymer melts.

  12. Photoelectron yield spectroscopy and inverse photoemission spectroscopy evaluations of p-type amorphous silicon carbide films prepared using liquid materials

    Directory of Open Access Journals (Sweden)

    Tatsuya Murakami

    2016-05-01

    Full Text Available Phosphorus-doped amorphous silicon carbide films were prepared using a polymeric precursor solution. Unlike conventional polymeric precursors, this polymer requires neither catalysts nor oxidation for its synthesis and cross-linkage, providing semiconducting properties in the films. The valence and conduction states of resultant films were determined directly through the combination of inverse photoemission spectroscopy and photoelectron yield spectroscopy. The incorporated carbon widened energy gap and optical gap comparably in the films with lower carbon concentrations. In contrast, a large deviation between the energy gap and the optical gap was observed at higher carbon contents because of exponential widening of the band tail.

  13. Real time x-ray rheology of polymers

    International Nuclear Information System (INIS)

    The ability to probe the structure of a polymer during deformation is of considerable technological interest as it lends an insight into the mechanisms involved in polymer processing. The behavior of Liquid Crystalline Polymers (LCP's) during shear flow has generated much experimental interest by Virtue of their unusual behavior compared to that of simpler polymeric melts. The theory developed by Doi attempts to explain the observed phenomena in terms of considering interactions of rigid-rods. Exact solutions to the Doi theory have been compared to experimental procedures using lyotropic LCP systems. Although much of the available data relates to mechanical measurements, the comparisons with quantitative structural data can provide useful insight. Many different experimental techniques exist in polymer rheology. The dynamic properties of flowing polymer systems have been studied using: standard rheometers; NMR spectroscopy; fluorescence anisotropy; and rheo-optics. Here we present a rheometer used in conjunction with X-Ray scattering to provide in situ Theological measurements during deformation. X-Ray diffraction patterns provide information on the scale of 1-100 Angstrom: the scale of interest for molecular, intermolecular, and atomic polymer structure. X-Ray scattering techniques are also advantageous since X radiation penetrates polymer melts which may be opaque at optical wavelengths. In addition it is possible to distinguish between crystalline and amorphous scattering. 29 refs., 5 figs

  14. Physics of amorphous metals

    CERN Document Server

    Kovalenko, Nikolai P; Krey, Uwe

    2008-01-01

    The discovery of bulk metallic glasses has led to a large increase in the industrial importance of amorphous metals, and this is expected to continue. This book is the first to describe the theoretical physics of amorphous metals, including the important theoretical development of the last 20 years.The renowned authors stress the universal aspects in their description of the phonon or magnon low-energy excitations in the amorphous metals, e.g. concerning the remarkable consequences of the properties of these excitations for the thermodynamics at low and intermediate temperatures. Tunneling

  15. Compaction of amorphous iron–boron powder

    DEFF Research Database (Denmark)

    Hendriksen, Peter Vang; Mørup, Steen; Koch, Christian;

    1993-01-01

    report on attempts to compact amorphous iron–boron particles prepared by chemical reduction of Fe(II) ions in aqueous solution by NaBH4 (Ref. 2). The particles prepared in this way are pyrophoric, but can be passivated. The small particle size (10–100 nm), characteristic of this preparation technique...

  16. Exact solution of the thermodynamics and size parameters of a polymer confined to a lattice of finite size: Large chain limit

    Energy Technology Data Exchange (ETDEWEB)

    Snyder, Chad R., E-mail: chad.snyder@nist.gov; Guttman, Charles M., E-mail: charles.guttman@nist.gov [Materials Science and Engineering Division, National Institute of Standards and Technology (NIST), Gaithersburg, Maryland 20899 (United States); Di Marzio, Edmund A., E-mail: edmund.dimarzio@nist.gov [Materials Science and Engineering Division, National Institute of Standards and Technology (NIST), Gaithersburg, Maryland 20899 (United States); Bio-Poly-Phase, 14205 Parkvale Road, Rockville, Maryland 20853 (United States)

    2014-01-21

    We extend the exact solutions of the Di Marzio-Rubin matrix method for the thermodynamic properties, including chain density, of a linear polymer molecule confined to walk on a lattice of finite size. Our extensions enable (a) the use of higher dimensions (explicit 2D and 3D lattices), (b) lattice boundaries of arbitrary shape, and (c) the flexibility to allow each monomer to have its own energy of attraction for each lattice site. In the case of the large chain limit, we demonstrate how periodic boundary conditions can also be employed to reduce computation time. Advantages to this method include easy definition of chemical and physical structure (or surface roughness) of the lattice and site-specific monomer-specific energetics, and straightforward relatively fast computations. We show the usefulness and ease of implementation of this extension by examining the effect of energy variation along the lattice walls of an infinite rectangular cylinder with the idea of studying the changes in properties caused by chemical inhomogeneities on the surface of the box. Herein, we look particularly at the polymer density profile as a function of temperature in the confined region for very long polymers. One particularly striking result is the shift in the critical condition for adsorption due to surface energy inhomogeneities and the length scale of the inhomogeneities; an observation that could have important implications for polymer chromatography. Our method should have applications to both copolymers and biopolymers of arbitrary molar mass.

  17. Exact solution of the thermodynamics and size parameters of a polymer confined to a lattice of finite size: Large chain limit

    Science.gov (United States)

    Snyder, Chad R.; Guttman, Charles M.; Di Marzio, Edmund A.

    2014-01-01

    We extend the exact solutions of the Di Marzio-Rubin matrix method for the thermodynamic properties, including chain density, of a linear polymer molecule confined to walk on a lattice of finite size. Our extensions enable (a) the use of higher dimensions (explicit 2D and 3D lattices), (b) lattice boundaries of arbitrary shape, and (c) the flexibility to allow each monomer to have its own energy of attraction for each lattice site. In the case of the large chain limit, we demonstrate how periodic boundary conditions can also be employed to reduce computation time. Advantages to this method include easy definition of chemical and physical structure (or surface roughness) of the lattice and site-specific monomer-specific energetics, and straightforward relatively fast computations. We show the usefulness and ease of implementation of this extension by examining the effect of energy variation along the lattice walls of an infinite rectangular cylinder with the idea of studying the changes in properties caused by chemical inhomogeneities on the surface of the box. Herein, we look particularly at the polymer density profile as a function of temperature in the confined region for very long polymers. One particularly striking result is the shift in the critical condition for adsorption due to surface energy inhomogeneities and the length scale of the inhomogeneities; an observation that could have important implications for polymer chromatography. Our method should have applications to both copolymers and biopolymers of arbitrary molar mass.

  18. Low band-gap polymers incorporating benzotriazole and 5,6-dialkoxy-benzothiadiazole as solution processable electrochromic materials

    Directory of Open Access Journals (Sweden)

    W. T. Neo

    2015-06-01

    Full Text Available Two series of donor-acceptor type conjugated polymers bearing benzotriazole or 5,6-dialkoxy-benzothiadiazole as acceptors unit are synthesized via Stille coupling. The optical, electrochemical, spectroelectrochemical characterizations and theoretical calculations are carried out. The polymers display excellent solubility in common organic solvents upon the introduction of long aliphatic side chains. The electrochromic performances of the polymers are also studied. Upon oxidation, the polymers switch from magenta or blue to a transmissive light blue state. In particular, respectable optical contrasts of about 44 and 40% are obtained in the visible and near infrared (NIR region respectively for P2. The polymers also reveal fast switching of about from one second to a few seconds. In addition, P2 exhibits a high coloration efficiency of 518 and 561 cm2/C in the visible and NIR region respectively. The promising electrochromic behaviour of these polymers, together with the enhanced solubility will allow large-scale processing and advancement towards real applications.

  19. Advances in chemical synthesis and application of metal-metalloid amorphous alloy nanoparticulate catalysts

    Institute of Scientific and Technical Information of China (English)

    WU Zhijie; LI Wei; ZHANG Minghui; TAO Keyi

    2007-01-01

    This paper reviews the advances in the chemical synthesis and application of metal-metalloid amorphous alloy nanoparticles consisting of transition metal (M) and metalloid elements (B,P).After a brief introduction on the history of amorphous alloy catalysts,the paper focuses on the properties and characterization of amorphous alloy catalysts,and recent developments in the solution-phase synthesis of amorphous alloy nanoparticles.This paper further outlines the applications of amorphous alloys,with special emphasis on the problems and strategies for the application of amorphous alloy nanoparticles in catalytic reactions.

  20. Amorphous Solid Water:

    DEFF Research Database (Denmark)

    Wenzel, Jack; Linderstrøm-Lang, C. U.; Rice, Stuart A.

    1975-01-01

    The structure factor of amorphous solid D2O deposited from the vapor at 10°K has been obtained by measuring the neutron diffraction spectrum in the wave vector transfer from 0.8 to 12.3 reciprocal angstroms. The results indicate that the phase investigated is amorphous and has a liquiid-like stru......The structure factor of amorphous solid D2O deposited from the vapor at 10°K has been obtained by measuring the neutron diffraction spectrum in the wave vector transfer from 0.8 to 12.3 reciprocal angstroms. The results indicate that the phase investigated is amorphous and has a liquiid...

  1. Development of Silicate Polymers

    DEFF Research Database (Denmark)

    Søgaard, Erik Gydesen; Simonsen, Morten Enggrob

      The development of inorganic polymers is a new promising technology that may be used in many applications. The syntheses of inorganic polymers are normally carried out either by mixing an amorphous material for example silicium dioxide with a mineral base or dissolving metal oxids or metal...... hydroxide in acid and increase pH to saturation of the metal hydroxide. It is assumed that the syntheses of the inorganic polymer are carried out through polymerisation of oligomers (dimer, trimer) which provide the actual unit structures of the three dimensional macromolecular structure. In this work...

  2. Characterization of Amorphous and Co-Amorphous Simvastatin Formulations Prepared by Spray Drying

    DEFF Research Database (Denmark)

    Craye, Goedele; Löbmann, Korbinian; Grohganz, Holger;

    2015-01-01

    In this study, spray drying from aqueous solutions, using the surface-active agent sodium lauryl sulfate (SLS) as a solubilizer, was explored as a production method for co-amorphous simvastatin-lysine (SVS-LYS) at 1:1 molar mixtures, which previously have been observed to form a co......-amorphous mixture upon ball milling. In addition, a spray-dried formulation of SVS without LYS was prepared. Energy-dispersive X-ray spectroscopy (EDS) revealed that SLS coated the SVS and SVS-LYS particles upon spray drying. X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) showed that in...... studied formulations were able to significantly extend the stability of amorphous SVS compared to previous co-amorphous formulations of SVS. The best stability (at least 12 months in dry conditions) was observed when SLS was spray-dried with SVS (and LYS). In conclusion, spray drying of SVS and LYS from...

  3. Concurrent multiscale modeling of amorphous materials

    Science.gov (United States)

    Tan, Vincent

    2013-03-01

    An approach to multiscale modeling of amorphous materials is presented whereby atomistic scale domains coexist with continuum-like domains. The atomistic domains faithfully predict severe deformation while the continuum domains allow the computation to scale up the size of the model without incurring excessive computational costs associated with fully atomistic models and without the introduction of spurious forces across the boundary of atomistic and continuum-like domains. The material domain is firstly constructed as a tessellation of Amorphous Cells (AC). For regions of small deformation, the number of degrees of freedom is then reduced by computing the displacements of only the vertices of the ACs instead of the atoms within. This is achieved by determining, a priori, the atomistic displacements within such Pseudo Amorphous Cells associated with orthogonal deformation modes of the cell. Simulations of nanoscale polymer tribology using full molecular mechanics computation and our multiscale approach give almost identical prediction of indentation force and the strain contours of the polymer. We further demonstrate the capability of performing adaptive simulations during which domains that were discretized into cells revert to full atomistic domains when their strain attain a predetermined threshold. The authors would like to acknowledge the financial support given to this study by the Agency of Science, Technology and Research (ASTAR), Singapore (SERC Grant No. 092 137 0013).

  4. Novel conjugated polymers based on dithieno[3,2-b:6,7-b]carbazole for solution processed thin-film transistors.

    Science.gov (United States)

    Chen, Yagang; Liu, Chengfang; Tian, Hongkun; Bao, Cheng; Zhang, Xiaojie; Yan, Donghang; Geng, Yanhou; Wang, Fosong

    2012-10-26

    Two conjugated polymers (CPs) P-tCzC12 and P-tCzC16 comprising alternating dithieno[3,2-b:6,7-b]carbazole and 4,4'-dihexadecyl-2,2'-bithiophene units have been designed and synthesized. Upon thermal annealing, they can form ordered thin films in which the polymer backbones dominantly adopted an edge-on orientation respective to the substrate with a lamellar spacing of ≈24 Å and a π-stacking distance of ≈3.7 Å. Organic thin-film transistors (OTFTs) were fabricated by solution casting. A hole mobility of 0.39 cm(2) V(-1) s(-1) has been demonstrated with P-tCzC16. This value is the highest among the CPs containing heteroacenes larger than 4 rings.

  5. PROCESSING OF SERPENTINITE TAILINGS TO PURE AMORPHOUS SILICA

    OpenAIRE

    Alena Fedorockova; Pavel Raschman; Sucik Gabriel; Plesingerova Beatrice; Popovic Lubos; Briancin Jaroslav

    2015-01-01

    While the published research papers describe preparation of amorphous silica from water glass or using special methods (e.g. hydrolysis of alkoxides), the present study demonstrates a feasible solution for the cheaper synthesis of highly reactive silica using two-stage (acid and alkaline) leaching of serpentinite (Mg3Si2O5(OH)4). The alkaline leaching, the purification of sodium metasilicate solution and the effect of impurities on the precipitation of amorphous silica under the conditions of...

  6. Triazatruxene-containing hyperbranched polymers:Microwave-assisted synthesis and optoelectronic properties

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Hyperbranched polymer structures represent a class of high-functionality building blocks with excellent three-dimensional topology for the construction of highly substituted conjugated polymers.In this contribution,an efficient microwave synthesis protocol toward the synthesis of conjugated hyperbranched polymers is presented.A novel series of soluble hyperbranched polyfluorenes (PTF1-PTF3) incorporating triazatruxene moiety as the branch units with various branching degrees have thus been successfully constructed with good yields and high molecular weight via a facile "A2+B2+C3" approach.The structures of the hyperbranched polymers were confirmed by NMR and GPC.Their thermal,optical,and electrochemical properties of the hyperbranched polymers were also investigated.The results showed that introduction of triazatruxene units into the hyperbranched structure endowed the polymer with good thermal stability and highly amorphous properties.Photophysical investigation of PTFx revealed strong blue emission in both solution and solid states.Hyperbranched polymers with higher degree of branching and proper content of linear fluorene units exhibited better photophysical properties in terms of narrow emission spectra and relatively high quantum efficiency as well as improved thermal spectral stability.The triazatruxene branching unit also played a role in raising the HOMO energy levels relative to those of polyfluorenes that would help to improve the charge injection and transport properties.The incorporation of triazatruxene unit into hyperbranched polymers has thus explored an effective avenue for constructing optoelectronic polymers with improved functional characteristics.

  7. Study of amorphous semiconductors doped with rare earths (Gd and Er) and conducting polymers by EPR techniques and magnetic susceptibility; Estudo de semicondutores amorfos dopados com terras raras (Gd e Er) e de polimeros condutores atraves das tecnicas de RPE e susceptibilidade magnetica

    Energy Technology Data Exchange (ETDEWEB)

    Sercheli, Mauricio da Silva

    1999-07-01

    This thesis involves the study of amorphous semiconductors and conducting polymers, which have been characterized by EPR and magnetic susceptibility measurements, and to a lesser extent by Raman spectroscopy and RBS. The semiconductors were studied using thin films of silicon doped with rare earth metals, e.g. erbium and gadolinium, which had their magnetic properties studied. Using these studies we could determine the state of valence of the rare earths as well as their concentrations in the silicon matrix. According to our results, the valence of the rare earth metal ions is 3+, and we were able to conclude that 4f electronic shells could not be used for the calculation of the conducting band in this system. Furthermore, the analysis of the data on the magnetic susceptibility of the Er{sup 3+} ion with cubic crystalline acting field, gave us the opportunity to estimate the overall splitting of their electronic states for the first time. The conducting polymers were studied using samples of poly(3-methylthiophene) doped with ClO{sub 4}{sup -}, which show a phase transition in the range of 230 K to 130 K. The electron paramagnetic resonance also gives important information on the crystallization, doping level and the presence of polarons or bipolarons in conducting polymers. (author)

  8. Solution-processable deep red-emitting supramolecular phosphorescent polymer with novel iridium complex for organic light-emitting diodes

    Science.gov (United States)

    Liang, Aihui; Huang, Gui; Wang, Zhiping; Wu, Wenjin; Zhong, Yu; Zhao, Shan

    2016-07-01

    A novel bis(dibenzo-24-crown-8)-functionalized iridium complex with an emission peak at 665 nm was synthesized. Several deep red-emitting supramolecualr phosphorescent polymers (SPPs) as a class of solutionprocessable electroluminescent (EL) emitters were formed by utilizing the efficient non-bonding self-assembly between the resulting iridium complex and bis(dibenzylammonium)-tethered monomers. These SPPs show an intrinsic glass transition with a T g of ca. 90 °C. The photophysical and electroluminescent properties are strongly dependent on the hosts' structures of the supramolecular phosphorescent polymers. The polymer light-emitting diode based on SPP3 displayed a maximal external quantum efficiency (EQE) of 2.14% ph·el-1 and the Commission Internationale de L'Eclairage (CIE) coordinates of (0.70, 0.29).

  9. Solution-processable deep red-emitting supramolecular phosphorescent polymer with novel iridium complex for organic light-emitting diodes

    Science.gov (United States)

    Liang, Aihui; Huang, Gui; Wang, Zhiping; Wu, Wenjin; Zhong, Yu; Zhao, Shan

    2016-09-01

    A novel bis(dibenzo-24-crown-8)-functionalized iridium complex with an emission peak at 665 nm was synthesized. Several deep red-emitting supramolecualr phosphorescent polymers (SPPs) as a class of solutionprocessable electroluminescent (EL) emitters were formed by utilizing the efficient non-bonding self-assembly between the resulting iridium complex and bis(dibenzylammonium)-tethered monomers. These SPPs show an intrinsic glass transition with a T g of ca. 90 °C. The photophysical and electroluminescent properties are strongly dependent on the hosts' structures of the supramolecular phosphorescent polymers. The polymer light-emitting diode based on SPP3 displayed a maximal external quantum efficiency (EQE) of 2.14% ph·el-1 and the Commission Internationale de L'Eclairage (CIE) coordinates of (0.70, 0.29).

  10. Low temperature dynamics in amorphous solids : A photon echo study

    NARCIS (Netherlands)

    Meijers, Hans C.; Wiersma, Douwe A.

    1994-01-01

    The long-lived stimulated photon echo is put forward as a powerful technique to probe structural dynamics in glasses and other amorphous solids. We present results of optical dephasing measurements on several doped organic glasses (deuterated ethanol, toluene, and triethylamine) and polymers (polyst

  11. Driving High-Performance n- and p-type Organic Transistors with Carbon Nanotube/Conjugated Polymer Composite Electrodes Patterned Directly from Solution

    KAUST Repository

    Hellstrom, Sondra L.

    2010-07-12

    We report patterned deposition of carbon nanotube/conjugated polymer composites from solution with high nanotube densities and excellent feature resolution. Such composites are suited for use as electrodes in high-performance transistors of pentacene and C60, with bottom-contact mobilities of ?0.5 and ?1 cm2 V-1 s-1, respectively. This represents a clear step towards development of inexpensive, high-performance all-organic circuits. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Indium-Free PTB7/PC71BM Polymer Solar Cells with Solution-Processed Al:ZnO Electrodes on PET Substrates

    Directory of Open Access Journals (Sweden)

    P. Fuchs

    2016-01-01

    Full Text Available Inverted PTB7/PC71BM polymer solar cells are prepared on solution-processed Al:ZnO transparent contacts on PET substrates. Al:ZnO is deposited by a low temperature chemical bath deposition route (T < 100°C at any step to comply with the temperature sensitive substrate. A maximum conversion efficiency of 6.4% and 6.9% is achieved for the indium-free solar cells on PET and glass substrates, respectively. The devices are relatively stable in air whereby an initial efficiency loss in the order of 15% after storage for 15 days can be fully recovered by light soaking.

  13. Solution-Processed rGO/AgNPs/rGO Sandwich Structure as a Hole Extraction Layer for Polymer Solar Cells

    Directory of Open Access Journals (Sweden)

    Quang Trung Tran

    2015-01-01

    Full Text Available We found that inserting silver nanoparticles (AgNPs between two layers of reduced grapheme oxide (rGO has an effect on tailoring the work function of rGO. The utilization of rGO/AgNPs/rGO sandwich structure as the hole extraction layer in polymer solar cells is demonstrated. Solution-processable fabrication of this sandwich structure at the ITO/active layer interface facilitates the extraction of hole from active layer into ITO anode because of lowering the barrier level alignment at the interface. It results in an improvement of the short circuit current density and the overall photovoltaic performance.

  14. Effect of Solvents, Their Mixture and Thermal Annealing on the Performance of Solution Processed Polymer Light-Emitting Diodes

    Directory of Open Access Journals (Sweden)

    Erfan Saydanzad

    2013-05-01

    Full Text Available In this study, we first investigated changes seen in electrical and optical properties of a polymer light-emitting diode due to using different kinds of solvents and their mixture. Two-layer light emitting diodes with organic small molecules doped in a PVK polymer host were fabricated using (i non-aromatic solvent chloroform with a high evaporation rate; (ii aromatic solvent chlorobenzene with a low evaporation rate, and (iii their mixture with different relative ratios. The effect of nano-scale layer thickness, surface roughness and internal nano-morphology on threshold voltage and the amount of electric current, the luminance and efficiency of a device were assessed. Results indicated the importance of majority charge carriers’ type in the selection of solvent and tuning its properties. Then, the effect of thermal annealing on electrical and optical properties of polymer light emitting diodes was investigated. During the device fabrication, pre-annealing in 80 and/or 120 °C and post-annealing in 120 °C were performed. The nano-scale effect of annealing on polymer-metal interface and electric current injection was described thoroughly. A comparison between threshold voltage, luminance and electric current efficiency of luminescence for different annealing processes was undertaken, so that the best electric current efficiency of luminescence achieved at 120 °C pre-annealing accompanied with 120 °C post-annealing.

  15. SYNTHESIS OF CONDENSATION POLYMERS OF SALICYLIC ACID, FORMALDEHYDE AND ALKYL PRIMARY AMINES AND ITS APPLICATION AS A CATALYST FOR THE HYDROLYSIS OF p-NITROPHENYL ACETATE (PNPA) IN AQUEOUS SOLUTION

    Institute of Scientific and Technical Information of China (English)

    HE Binglin(Ho Pinglum); HUANG Wenqiang

    1983-01-01

    As a model of serine hydrolase, the condensation polymers of salicylic acid, formaldehyde and methyl amine, n-propyl amine, n-hexyl amine or n-lauryl amine were prepared by polycondensation catalyzed by sulfuric acid. It was confirmed by potentiometric titration and infrared spectrum that the polymers containing tertiary amino group possess the structure which resembles the internal salt of amino acid in weak basic and weak acidic solution:[-OOC-OH-CH2-H+N-R-CH2-]n R=alkyl group The catalytic reaction of the above polymers for hydrolysis of active ester,p-nitrophenyl acetate (PNPA),was studied .It was found kinetically that the most efficient catalytic effect of polymer was composed of two salicylic acid groups and one tertiary amino group in the polymer chain.The rates of hydrolysis of PNPA increase with increasing of pH values and length of the alkyl group in the side chain of the polymers and the effect of the conformation of the polymer containing tertiary amino group in the buffer solution on the catalytic activity was also investigated. Hydrolysis of PNPA catalyzed by the polymer made of salicylic acid, formaldehyde and n-lauryl amine follows the simple Michaelis-Menten type mechanism . The kinetics parameters were determined as :Km 6.7×10-5 M and Vmax 2.07×10-7 M·min-1.

  16. Light scattering experiments on aqueous solutions of selected cellulose ethers: contribution to the study of polymer-mineral interactions in a new injectable biomaterial.

    Science.gov (United States)

    Bohic, S; Weiss, P; Roger, P; Daculsi, G

    2001-03-01

    Hydroxypropylmethylcellulose (HPMC) is used as a ligand for a bioactive calcium phosphate ceramic (the filler) in a ready-to-use injectable sterilized biomaterial for bone and dental surgery. Light scattering experiments were usually used to study high water-soluble polymers and to determine the basic macromolecular parameters. In order to gain a deeper understanding of polymer/mineral interactions in this type of material, we have investigated the effect of divalent and trivalent ions (Ca(2+), PO(4)(3-)) and steam sterilization on dilute solutions of HPMC and hydroxyethylcellulose (HEC). The sterilization process may cause some degradation of HEC taking into account its high molecular weight and some rigidity of the polymer chain. Moreover, in the case of HPMC, the changes in the conformations rather than degradation process are supposed. These effects of degradation and flocculation are strengthened in alkaline medium. Experimental data suggested the formation of chelate complexes between Ca(2+) and HPMC which improve its affinity to the mineral blend and consolidate the injectable biomaterial even in the case of its hydration by biological fluid. PMID:15348303

  17. Light scattering experiments on aqueous solutions of selected cellulose ethers: contribution to the study of polymer-mineral interactions in a new injectable biomaterial

    Science.gov (United States)

    Bohic, Sylvain; Weiss, Pierre; Roger, Philippe; Daculsi, Guy

    2001-01-01

    Hydroxypropylmethylcellulose (HPMC) is used as a ligand for a bioactive calcium phosphate ceramic (the filler) in a ready-to-use injectable sterilized biomaterial for bone and dental surgery. Light scattering experiments were usually used to study high water-soluble polymers and to determine the basic macromolecular parameters. In order to gain a deeper understanding of polymer/mineral interactions in this type of material, we have investigated the effect of divalent and trivalent ions (Ca2+, PO43−) and steam sterilization on dilute solutions of HPMC and HEC. The sterilization process may cause some degradation of HEC taking into account its high molecular weight and some rigidity of the polymer chain. Moreover, in the case of HPMC, the changes in the conformations rather than degradation process are supposed. These effects of degradation and flocculation are strengthened in alkaline medium. Experimental data suggested the formation of chelate complexes between Ca2+ and HPMC which improve its affinity to the mineral blend and consolidate the injectable biomaterial even in the case of its hydration by biological fluid. PMID:15348303

  18. Structural changes in amorphous organic compounds and their role during chemical transformations

    International Nuclear Information System (INIS)

    Using butanediol vinylacetate and dimetacrylate as an example, it can be shown that structural changes of amorphous-liquid substance play an important part at chemical transformations of amorphous compounds and chemical reaction rate provides an function of local order. When the amorphous polymer is viewed as an system of multiple transformations, each gives birth to the definite local order, the calculation of recombination reaction of active centers accumulated during irradiation of polymer at 77 K is carried out. Concentration of recombinated centers rises steeply near each transformation Tk

  19. All-Solution-Processed, Ambient Method for ITO-Free, Roll-Coated Tandem Polymer Solar Cells using Solution- Processed Metal Films

    DEFF Research Database (Denmark)

    Angmo, Dechan; Dam, Henrik Friis; Andersen, Thomas Rieks;

    2014-01-01

    in terms of surface morphological and topographical properties and to ITO in terms of flexibility. The slot–die coated Ag film demonstrates extremely low roughness (a root-meansquare roughness of 3 nm was measured over 240_320 mm2 area), is highly conductive (...-effective in comparison to other reported metal films applied in polymer solar cells. Such properties result in high fill factors exceeding 50% in both single and tandem structures on large-area devices (1 cm2) and the corresponding efficiencies exceed 2%....

  20. Lattice cluster theory of associating polymers. II. Enthalpy and entropy of self-assembly and Flory-Huggins interaction parameter χ for solutions of telechelic molecules.

    Science.gov (United States)

    Dudowicz, Jacek; Freed, Karl F; Douglas, Jack F

    2012-02-14

    The lattice cluster theory for solutions of telechelic polymer chains, developed in paper I, is applied to determine the enthalpy Δh(p) and entropy Δs(p) of self-assembly of linear telechelics and to evaluate the Flory-Huggins (FH) interaction parameter χ governing the phase behavior of these systems. Particular focus is placed on examining how these interaction variables depend on the composition of the solution, temperature, van der Waals and local "sticky" interaction energies, and the length of the individual telechelic chains. The FH interaction parameter χ is found to exhibit an entropy-enthalpy compensation effect between the "entropic" and "enthalpic" portions as either the composition or mass of the telechelic species is varied, providing unique theoretical insights into this commonly reported, yet, enigmatic phenomenon.

  1. Pitting corrosion protection of low nickel stainless steel by electropolymerized conducting polymer coating in 0.5 M NaCl solution

    Indian Academy of Sciences (India)

    T Dhanabal; G Amirthaganesan; J Ravichandran

    2011-06-01

    Conducting polymers of polyaniline (PANi) and poly(o-phenylenediamine) (PoPD) were electropolymerized by cyclic voltammetric technique on low nickel stainless steel (LN SS) in H2SO4 solution containing aniline and -phenylenediamine monomers. The coatings were characterized by Fourier transform infrared spectroscopy, UV-visible and scanning electron microscopic techniques and the results are discussed. The corrosion protective properties of PANi and PoPD coatings on LN SS in 0.5 M NaCl were evaluated using potentiodynamic polarization and electrochemical impedance spectroscopic (EIS) techniques. The potentiodynamic polarization and electrochemical impedance spectroscopic results indicate that the PoPD coating inhibits the corrosion of LN SS in 0.5 M NaCl solution more effectively than PANi.

  2. Containerless synthesis of amorphous and nanophase organic materials

    Energy Technology Data Exchange (ETDEWEB)

    Benmore, Chris J.; Weber, Johann R.

    2016-05-03

    The invention provides a method for producing a mixture of amorphous compounds, the method comprising supplying a solution containing the compounds; and allowing at least a portion of the solvent of the solution to evaporate while preventing the solute of the solution from contacting a nucleation point. Also provided is a method for transforming solids to amorphous material, the method comprising heating the solids in an environment to form a melt, wherein the environment contains no nucleation points; and cooling the melt in the environment.

  3. Polymer Solar Cells with Efficiency >10% Enabled via a Facile Solution-Processed Al-Doped ZnO Electron Transporting Layer

    KAUST Repository

    Jagadamma, Lethy Krishnan

    2015-04-22

    A facile and low-temperature (125 °C) solution-processed Al-doped ZnO (AZO) buffer layer functioning very effectively as electron accepting/hole blocking layer for a wide range of polymer:fullerene bulk heterojunction systems, yielding power conversion efficiency in excess of 10% (8%) on glass (plastic) substrates is described. The ammonia-treatment of the aqueous AZO nanoparticle solution produces compact, crystalline, and smooth thin films, which retain the aluminum doping, and eliminates/reduces the native defects by nitrogen incorporation, making them good electron transporters and energetically matched with the fullerene acceptor. It is demonstrated that highly efficient solar cells can be achieved without the need for additional surface chemical modifications of the buffer layer, which is a common requirement for many metal oxide buffer layers to yield efficient solar cells. Also highly efficient solar cells are achieved with thick AZO films (>50 nm), highlighting the suitability of this material for roll-to-roll coating. Preliminary results on the applicability of AZO as electron injection layer in F8BT-based polymer light emitting diode are also presented. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Air-stable solution-processed n-channel organic thin film transistors with polymer-enhanced morphology

    Energy Technology Data Exchange (ETDEWEB)

    He, Zhengran; Shaik, Shoieb; Bi, Sheng; Li, Dawen, E-mail: dawenl@eng.ua.edu [Department of Electrical and Computer Engineering, Center for Materials for Information Technology, The University of Alabama, Tuscaloosa, Alabama 35487 (United States); Chen, Jihua [Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2015-05-04

    N,N′-1H,1H-perfluorobutyl dicyanoperylenecarboxydiimide (PDIF-CN{sub 2}) is an n-type semiconductor exhibiting high electron mobility and excellent air stability. However, the reported electron mobility based on spin-coated PDIF-CN{sub 2} film is much lower than the value of PDIF-CN{sub 2} single crystals made from vapor phase deposition, indicating significant room for mobility enhancement. In this study, various insulating polymers, including poly(vinyl alcohol), poly(methyl methacrylate) (PMMA), and poly(alpha-methylstyrene) (PαMS), are pre-coated on silicon substrate aiming to enhance the morphology of the PDIF-CN{sub 2} thin film, thereby improving the charge transport and air stability. Atomic force microscopy images reveal that with the pre-deposition of PαMS or PMMA polymers, the morphology of the PDIF-CN{sub 2} polycrystalline films is optimized in semiconducting crystal connectivity, domain size, and surface roughness, which leads to significant improvement of organic thin-film transistor (OTFT) performance. Particularly, an electron mobility of up to 0.55 cm{sup 2}/V s has been achieved from OTFTs based on the PDIF-CN{sub 2} film with the pre-deposition of PαMS polymer.

  5. Structure of single-wall carbon nanotubes purified and cut using polymer

    Science.gov (United States)

    Zhang, M.; Yudasaka, M.; Koshio, A.; Jabs, C.; Ichihashi, T.; Iijima, S.

    2002-01-01

    Following on from our previous report that a monochlorobenzene solution of polymethylmethacrylate is useful for purifying and cutting single-wall carbon nanotubes (SWNTs) and thinning SWNT bundles, we show in this report that polymer and residual amorphous carbon can be removed by burning in oxygen gas. The SWNTs thus obtained had many holes (giving them a worm-eaten look) and were thermally unstable. Such severe damage caused by oxidation is unusual for SWNTs; we think that they were chemically damaged during ultrasonication in the monochlorobenzene solution of polymethylmethacrylate.

  6. Mechanical response of melt-spun amorphous filaments

    International Nuclear Information System (INIS)

    High-speed melt spinning of a cyclo-olefin polymer (COP) and a copolyamide (CoPA) have been performed. Differential scanning calorimetry curves of the resulting monofilaments show that they remain in an amorphous state even after hot drawing. Wide angle x-ray diffraction patterns of undrawn and drawn COP filaments show that although the material remains in an amorphous state, a degree of orientation is induced in the polymer after drawing. The amorphous filaments show an enhanced bending recovery with respect to different semi-crystalline monofilaments commercially available. However, single fiber axial compressive testing indicates that the amorphous filaments exhibit a compressive modulus value which is 50% lower than what is observed for a reference semi-crystalline PET filament. Analysis of the compressive strains applied by the bending recovery test indicates that while the maximum applied strains remain well within the region of elastic deformation of the amorphous materials, the threshold between elastic and plastic deformation is reached for the semi-crystalline materials. (paper)

  7. Characterization of Amorphous and Co-Amorphous Simvastatin Formulations Prepared by Spray Drying

    OpenAIRE

    Goedele Craye; Korbinian Löbmann; Holger Grohganz; Thomas Rades; Riikka Laitinen

    2015-01-01

    In this study, spray drying from aqueous solutions, using the surface-active agent sodium lauryl sulfate (SLS) as a solubilizer, was explored as a production method for co-amorphous simvastatin–lysine (SVS-LYS) at 1:1 molar mixtures, which previously have been observed to form a co-amorphous mixture upon ball milling. In addition, a spray-dried formulation of SVS without LYS was prepared. Energy-dispersive X-ray spectroscopy (EDS) revealed that SLS coated the SVS and SVS-LYS particles upon sp...

  8. Foaming of amorphous drug delivery systems prepared by hot melt mixing and extrusion

    Science.gov (United States)

    Terife, Graciela

    Currently there is considerable interest from both academe and pharmaceutical industry in exploring foaming processes and their products in drug delivery applications. However, there is still little knowledge of the impact of the morphology of the foamed structures on the performance of drug products in spite of some publications in this area. Therefore, the main objective of this dissertation is to gain a fundamental understanding of the correlation between foam morphology and performance of amorphous drug delivery systems, which are comprised of an Active Pharmaceutical Ingredient (API) and Polymer excipient. The Hot Melt Extrusion (HME) process is used to compound the following API / polymer binary systems: Indomethacin (INM) with SoluplusRTM (PVCap-PVAc-PEG); Carbamazepine (CBZ) with PVCap-PVAc-PEG; and INM with EudragitRTM EPO. Comprehensive characterization of these binary systems carried out by combining Differential Scanning Calorimetry, Fourier Transform Infrared spectroscopy, X-Ray Diffraction, and Scanning Electron Microscopy, shows that in all HME-prepared and foamed samples the APIs are amorphous and dissolved in the polymer excipients. The most important contributions of this dissertation can be grouped into three areas: (a) an understanding of the mechanisms by which foamed dosage forms can lead to faster API release, as well as the key morphological aspects of the cellular structures to achieve this, (b) an understanding of the correlation between the mechanism controlling the release of an API from an amorphous dosage and the enhancement in its release rate upon foaming, and (c) an understanding of the impact of the morphology of the cellular structures in the milling efficiency of HME products and the dissolution performance of the particles produced. In the first area, foamed amorphous solid solutions with three different morphologies are produced through the batch foaming process. A strong correlation between foam morphology and the enhancement

  9. Refining stability and dissolution rate of amorphous drug formulations

    DEFF Research Database (Denmark)

    Grohganz, Holger; Priemel, Petra A; Löbmann, Korbinian;

    2014-01-01

    Introduction: Poor aqueous solubility of active pharmaceutical ingredients (APIs) is one of the main challenges in the development of new small molecular drugs. Additionally, the proportion of poorly soluble drugs among new chemical entities is increasing. The transfer of a crystalline drug to its...... and on the interaction of APIs with small molecular compounds rather than polymers. Finally, in situ formation of an amorphous form might be an option to avoid storage problems altogether. Expert opinion: The diversity of poorly soluble APIs formulated in an amorphous drug delivery system will require different...

  10. Dynamics of polymers

    Energy Technology Data Exchange (ETDEWEB)

    Buchenau, U. [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Energieverfahrenstechnik

    1996-11-01

    Neutron scattering from amorphous polymers allows to switch from incoherent to coherent scattering in the same substance. The power of the tool for the study of the picosecond dynamics of disordered matter is illustrated for polybutadiene, polycarbonate and polystyrene. The results suggest a mixture of sound waves and localized modes, strongly interacting with each other, in the picosecond range. (author) 8 figs., tabs., 39 refs.

  11. Dynamics of polymers

    International Nuclear Information System (INIS)

    Neutron scattering from amorphous polymers allows to switch from incoherent to coherent scattering in the same substance. The power of the tool for the study of the picosecond dynamics of disordered matter is illustrated for polybutadiene, polycarbonate and polystyrene. The results suggest a mixture of sound waves and localized modes, strongly interacting with each other, in the picosecond range. (author) 8 figs., tabs., 39 refs

  12. A new insight into the isotropic-nematic phase transition in lyotropic solutions of semiflexible polymers: density-functional theory tested by molecular dynamics.

    Science.gov (United States)

    Egorov, Sergei A; Milchev, Andrey; Virnau, Peter; Binder, Kurt

    2016-06-14

    Semiflexible polymers in solution are studied for a wide range of both contour length L and persistence length lp as a function of monomer concentration under good solvent conditions. Both density-functional theory (DFT) and molecular dynamics (MD) simulation methods are used, and a very good agreement between both techniques is observed for rather stiff polymers. Evidence for a new mechanism of order parameter fluctuations in the nematic phase is presented, namely collective deformations of bundles of wormlike chains twisted around each other, and the typical wavelengths and amplitudes of these modes are estimated. These long wavelength fluctuations cause a reduction of the order parameter in comparison with the DFT prediction. It is also found that DFT becomes unreliable for rather flexible polymers in predicting that the transition from the isotropic (I)-phase to the nematic (N)-phase still exists at very high monomer concentrations (which in reality does not occur). However, under conditions when DFT is accurate, it provides reliable predictions also for the width of the I-N two-phase coexistence region, which are difficult to obtain from MD in spite of the use of very large systems (up to 500 000 monomers) by means of graphics processing units (GPU). For short and not very stiff chains, a pre-transitional chain stretching is found in the isotropic phase near the I-N-transition, not predicted by theories. A comparison with theoretical predictions by Khokhlov-Semenov, Odijk, and Chen reveals that the scaled transition densities are not simply functions of L/lp only, as these theories predict, but depend on d/lp (where d is the chain diameter) as well. Chain properties in the nematically ordered phase are compared to those of chains confined in tubes, and the deflection length concept is tested. Eventually, some consequences for the interpretation of experiments are spelled out. PMID:27249320

  13. Existence of global weak solutions to compressible isentropic finitely extensible nonlinear bead-spring chain models for dilute polymers: The two-dimensional case

    Science.gov (United States)

    Barrett, John W.; Süli, Endre

    2016-07-01

    We prove the existence of global-in-time weak solutions to a general class of models that arise from the kinetic theory of dilute solutions of nonhomogeneous polymeric liquids, where the polymer molecules are idealized as bead-spring chains with finitely extensible nonlinear elastic (FENE) type spring potentials. The class of models under consideration involves the unsteady, compressible, isentropic, isothermal Navier-Stokes system in a bounded domain Ω in Rd, d = 2, for the density ρ, the velocity u ˜ and the pressure p of the fluid, with an equation of state of the form p (ρ) =cpργ, where cp is a positive constant and γ > 1. The right-hand side of the Navier-Stokes momentum equation includes an elastic extra-stress tensor, which is the classical Kramers expression. The elastic extra-stress tensor stems from the random movement of the polymer chains and is defined through the associated probability density function that satisfies a Fokker-Planck-type parabolic equation, a crucial feature of which is the presence of a centre-of-mass diffusion term. This extends the result in our paper J.W. Barrett and E. Süli (2016) [9], which established the existence of global-in-time weak solutions to the system for d ∈ { 2 , 3 } and γ >3/2, but the elastic extra-stress tensor required there the addition of a quadratic interaction term to the classical Kramers expression to complete the compactness argument on which the proof was based. We show here that in the case of d = 2 and γ > 1 the existence of global-in-time weak solutions can be proved in the absence of the quadratic interaction term. Our results require no structural assumptions on the drag term in the Fokker-Planck equation; in particular, the drag term need not be corotational. With a nonnegative initial density ρ0 ∈L∞ (Ω) for the continuity equation; a square-integrable initial velocity datum u˜0 for the Navier-Stokes momentum equation; and a nonnegative initial probability density function ψ0

  14. Free-solution electrophoretic separations of DNA-drag-tag conjugates on glass microchips with no polymer network and no loss of resolution at increased electric field strength.

    Science.gov (United States)

    Albrecht, Jennifer Coyne; Kerby, Matthew B; Niedringhaus, Thomas P; Lin, Jennifer S; Wang, Xiaoxiao; Barron, Annelise E

    2011-05-01

    Here, we demonstrate the potential for high-resolution electrophoretic separations of ssDNA-protein conjugates in borosilicate glass microfluidic chips, with no sieving media and excellent repeatability. Using polynucleotides of two different lengths conjugated to moderately cationic protein polymer drag-tags, we measured separation efficiency as a function of applied electric field. In excellent agreement with prior theoretical predictions of Slater et al., resolution is found to remain constant as applied field is increased up to 700 V/cm, the highest field we were able to apply. This remarkable result illustrates the fundamentally different physical limitations of free-solution conjugate electrophoresis (FSCE)-based DNA separations relative to matrix-based DNA electrophoresis. ssDNA separations in "gels" have always shown rapidly declining resolution as the field strength is increased; this is especially true for ssDNA > 400 bases in length. FSCE's ability to decouple DNA peak resolution from applied electric field suggests the future possibility of ultra-rapid FSCE sequencing on chips. We investigated sources of peak broadening for FSCE separations on borosilicate glass microchips, using six different protein polymer drag-tags. For drag-tags with four or more positive charges, electrostatic and adsorptive interactions with poly(N-hydroxyethylacrylamide)-coated microchannel walls led to appreciable band-broadening, while much sharper peaks were seen for bioconjugates with nearly charge-neutral protein drag-tags.

  15. Amino-functionalized alkaline clay with cationic star-shaped polymer as adsorbents for removal of Cr(VI) in aqueous solution

    Science.gov (United States)

    Pan, Yuanfeng; Cai, Pingxiong; Farmahini-Farahani, Madjid; Li, Yiduo; Hou, Xiaobang; Xiao, Huining

    2016-11-01

    Pentaerythritol (PER) was esterified with 2-bromoisobutyryl bromide to synthesize a four-arm initiator 4Br-PER for atom transfer radical polymerization (ATRP). Star-shaped copolymers (P(AM-co-DMAEMA)4, CSP) were prepared via ATRP using dimethyl aminoethyl methacrylate (DMAEMA) and acrylamide (AM) as comonomers, while Br-PER and CuBr/2,2‧-bipyridine (BPY) as the initiator and the catalyst, respectively. The resulting four-arm initiator and star-shaped polymer (CSP) were characterized with FT-IR, 1H NMR and Ubbelohde viscometry. Alkaline clay (AC) was immobilized with CSPs to yield amino groups, and the cationic star polymer-immobilized alkaline clay (CSP-AC) was applied to remove Cr(VI) from the aqueous solution in batch experiments. Various influencing factors, including pH, contact time and immobilization amount of CSP on adsorption capacity of CSP-AC for Cr(VI) were also investigated. The results demonstrated that Cr(VI) adsorption was highly pH dependent. The optimized pH value was 4.0. The adsorption isotherms of the adsorbent fit the Langmuir model well, with the maximum adsorption capacity of 137.9 mg/g at 30 °C. The material should be a promising adsorbent for Cr(VI) removal, with the advantages of high adsorption capacity.

  16. Computer-simulation-based selection of optimal monomer for imprinting of tri-O-acetyl adenosine in a polymer matrix: calculations for benzene solution.

    Science.gov (United States)

    Douhaya, Ya V; Barkaline, V V; Tsakalof, A

    2016-07-01

    Molecular imprinting is a promising way to create polymer materials that can be used as artificial receptors, and have anticipated use in synthetic imitation of natural antibodies. In case of successful imprinting, the selectivity and affinity of the imprint for the substrate molecules are comparable with those of natural counterparts. Various calculation methods can be used to estimate the effects of a large range of imprinting parameters under different conditions, and to find better ways to improve polymer characteristics. However, one difficulty is that properties such as hydrogen bonding can be modeled only by quantum methods that demand a lot of computational resources. Combined quantum mechanics/molecular mechanics (QM/MM) methods allow the use of MM and QM for different parts of the modeled system. In present study this method was realized in the NWChem package to compare estimations of the stability of tri-O-acetyl adenosine-monomer pre-polymerization complexes in benzene solution with previous results under vacuum. PMID:27296451

  17. 曝氧和杀菌对含聚污水稀释聚合物溶液黏度的影响%Effect of Oxygen Exposure and Sterilization on Viscosity of Polymer Solution

    Institute of Scientific and Technical Information of China (English)

    张继红; 刘天啸; 王瑜

    2015-01-01

    The Fe2+ ,S2- and bacteria existed in polymer-contained sewage can degrade polymer solution,resulting reduction of oil displacement efficiency.In this paper, three kinds of treatment technology, oxygen exposure, sterilization and combination of oxygen exposure and sterilization,are used to deal with polymer-contained sewage,then the dealt polymer-contained sewage is used to dilute polymer solution.By measuring viscosity of diluted polymer solution,the impact of three kinds of treatment technology on viscosity is analyzed.The reasonable treatment technology is determined,which provide beneficial theoretical support for ensuring the stability of polymer solution viscosity and enhancing oil recovery.%含聚污水中所含的 Fe2+、S2-等还原物质和细菌,对聚合物溶液有降解作用,影响聚合物溶液的驱油效果。利用曝氧、杀菌及曝氧与杀菌相结合3种处理技术对含聚污水进行处理,再用处理过的含聚污水稀释聚合物溶液,测量稀释后聚合物溶液黏度的变化,分析曝氧和杀菌对含聚污水稀释聚合物溶液黏度的影响,并确定合理的曝氧和杀菌处理技术,为保证聚合物溶液黏度的稳定性、提高油田采收率提供有利的理论技术支持。

  18. The effect of surfactants on the dissolution behavior of amorphous formulations.

    Science.gov (United States)

    Mah, Pei T; Peltonen, Leena; Novakovic, Dunja; Rades, Thomas; Strachan, Clare J; Laaksonen, Timo

    2016-06-01

    The optimal design of oral amorphous formulations benefits from the use of excipients to maintain drug supersaturation and thus ensures adequate absorption during intestinal transit. The use of surfactants for the maintenance of supersaturation in amorphous formulations has not been investigated in detail. The main aim of this study was to investigate the effect of surfactant on the dissolution behavior of neat amorphous drug and binary polymer based solid dispersion. Indomethacin was used as the model drug and the surfactants studied were polysorbate 80 and poloxamer 407. The presence of surfactants (alone or in combination with polymers) in the buffer was detrimental to the dissolution of neat amorphous indomethacin, suggesting that the surfactants promoted the crystallization of neat amorphous indomethacin. In contrast, the presence of surfactants (0.01% w/v) in the buffer resulted in a significant improvement on the dissolution behavior of binary polymer based solid dispersion. Incorporating the surfactant to the formulation to form ternary solid dispersion adversely affected the dissolution behavior. In conclusion, the use of surfactants (as wetting or solubilization agents) in dissolution studies of neat amorphous drugs requires prudent consideration. The design of amorphous formulations with optimal dissolution performance requires the appropriate selection of a combination of excipients and consideration of the method of introducing the excipients. PMID:26955750

  19. Polymer-assisted solution processing of Mo-doped indium oxide thin films: high-mobility and carrier-scattering mechanisms

    Science.gov (United States)

    Vishwanath, Sujaya Kumar; Cho, Kuk Young; Kim, Jihoon

    2016-04-01

    Mo-doped indium oxide (MIO) transparent conducting films have been prepared by a polymer-assisted solution (PAS) process. Both Mo- and In-PASs have been formulated by coordinating Mo- and In-anionic complexes with polyethyleneimine. The final MIO-PAS coating solution was prepared by adding Mo-PAS and In-PAS with Mo concentration in solution ranging from 0 at% to 2.5 at%. The structural, optical and electrical properties of MIO films spin-coated on the glass substrates were characterized. The optimum Mo concentration leading to the best electrical and optical properties was 1.5 at%, showing a low resistivity of 3.9  ×  10-3 Ω  ṡ  cm with high mobility of 43 cm2 V-1 s-1 and high transmittance from visible to near infrared regions. The carrier-transport mechanism in the PAS-processed MIO film was investigated by applying a theoretical scattering model (Brook-Herring-Dingle theory) to Hall mobility data. The scattering model confirms that the ionized and neutral impurities play important roles as dominant scattering centers in the PAS-processed MIO films.

  20. Polymer solar cells with efficiency >10% enabled via a facile solution-processed Al-doped ZnO electron transporting layer

    KAUST Repository

    Jagadamma, Lethy Krishnan

    2015-10-05

    The present work details a facile and low-temperature (125C) solution-processed Al-doped ZnO (AZO) buffer layer functioning very effectively as electron accepting/hole blocking layer for a wide range of polymer:fullerene bulk heterojunction systems, and yielding power conversion efficiency in excess of 10% (8%) on glass (plastic) substrates. We show that ammonia addition to the aqueous AZO nanoparticle solution is a critically important step toward producing compact and smooth thin films which partially retain the aluminum doping and crystalline order of the starting AZO nanocrystals. The ammonia treatment appears to reduce the native defects via nitrogen incorporation, making the AZO film a very good electron transporter and energetically matched with the fullerene acceptor. Importantly, highly efficient solar cells are achieved without the need for additional surface chemical passivation or modification, which has become an increasingly common route to improving the performance of evaporated or solution-processed ZnO ETLs in solar cells.

  1. Roll-to-Roll Printed Silver Nanowire Semitransparent Electrodes for Fully Ambient Solution-Processed Tandem Polymer Solar Cells

    DEFF Research Database (Denmark)

    Angmo, Dechan; Andersen, Thomas Rieks; Bentzen, Janet Jonna;

    2015-01-01

    Silver nanowires (AgNWs) and zinc oxide (ZnO) are deposited on flexible substrates using fast roll-to-roll (R2R) processing. The AgNW film on polyethylene terephthalate (PET) shows >80% uniform optical transmission in the range of 550-900 nm. This electrode is compared to the previously reported...... and currently widely produced indium-tin-oxide (ITO) replacement comprising polyethylene terephthalate (PET)|silver grid|poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS)|ZnO known as Flextrode. The AgNW/ZnO electrode shows higher transmission than Flextrode above 490 nm in the electromagnetic...... spectrum reaching up to 40% increased transmission at 750 nm in comparison to Flextrode. The functionality of AgNW electrodes is demonstrated in single and tandem polymer solar cells and compared with parallel devices on traditional Flextrode. All layers, apart from the semitransparent electrodes which...

  2. 1-D models for thin filaments of liquid-crystalline polymers: Coupling of orientation and flow in the stability of simple solutions

    Science.gov (United States)

    Gregory Forest, M.; Wang, Qi; Bechtel, Stephen E.

    Slender asymptotic fiber models are derived from Doi-type 3-D equations for free surface flows of liquid-crystalline polymers. Leading order equations and self-consistent corrections are presented for a variety of physical regimes. We then explore the coupling of orientation effects to slender elongational flow behavior, with particular focus on the interplay between the Rayleigh capillary instability and both stabilizing and destabilizing orientation behavior. In the simple context of constant solutions, we identify physical regimes and precise conditions under which the Rayleigh instability may be completely arrested, as well as other regimes where orientation reduces but does not cancel capillary instability. In addition, we identify sources of additional orientation-dominated instabilities that are evident in both the uniaxial and biaxial nematic liquid crystal order parameters. These models and stability analyses lay the foundation for applications to fiber spinning processes.

  3. Shelf life stability comparison in air for solution processed pristine PDPP3T polymer and doped spiro-OMeTAD as hole transport layer for perovskite solar cell

    Directory of Open Access Journals (Sweden)

    Ashish Dubey

    2016-06-01

    Full Text Available This data in brief includes forward and reverse scanned current density–voltage (J–V characteristics of perovskite solar cells with PDPP3T and spiro-OMeTAD as HTL, stability testing conditions of perovskite solar cell shelf life in air for both PDPP3T and spiro-OMeTAD as HTL as per the description in Ref. [1], and individual J–V performance parameters acquired with increasing time exposed in ambient air are shown for both type of devices using PDPP3T and spiro-OMeTAD as HTL. The data collected in this study compares the device stability with time for both PDPP3T and spiro-OMeTAD based perovskite solar cells and is directly related to our research article “solution processed pristine PDPP3T polymer as hole transport layer for efficient perovskite solar cells with slower degradation” [2].

  4. Corrosion inhibition of aluminum with a series of aniline monomeric surfactants and their analog polymers in 0.5 M HCl solution

    Directory of Open Access Journals (Sweden)

    M.M. El-Deeb

    2015-07-01

    Full Text Available The inhibition effect of 3-(12-sodiumsulfonate dodecyloxy aniline monomeric surfactant (MC12 and its analog polymer Poly 3-(dodecyloxy sulfonic acid aniline (PC12 on the corrosion of aluminum in 0.5 M HCl solution was investigated using weight loss and potentiodynamic polarization techniques. The presence of these two compounds in 0.5 M HCl inhibits the corrosion of aluminum without modifying the mechanism of corrosion process. It was found that these inhibitors act as mixed-type inhibitors with anodic predominance as well as the inhibition efficiency increases with increasing inhibitor concentration, but decreases with raising temperature. Langmuir and Frumkin adsorption isotherms fit well with the experimental data. Thermodynamic functions for both dissolution and adsorption processes were determined. The obtained results from weight loss and potentiodynamic polarization techniques are in good agreement with contact angle measurements.

  5. Étude par biréfringence d'écoulement de solutions semi-diluées de polymères.

    OpenAIRE

    COSTEUX, Stéphane

    1999-01-01

    Les solutions semidiluées de polymères sont aujourd'hui utilisées dans nombre d'applications industrielles qui nécessitent des fluides relativement visqueux qui fluidifient sous cisaillement, comme dans l'industrie alimentaire ou pour la récupération assistée du pétrole. Afin d'obtenir les propriétés rhéologiques désirées, il est primordial de comprendre quels mécanismes microscopiques en sont à l’origine. La biréfringence d'écoulement est de ce point de vue une technique intéressante, puisqu...

  6. Polymeric Amorphous Solid Dispersions: A Review of Amorphization, Crystallization, Stabilization, Solid-State Characterization, and Aqueous Solubilization of Biopharmaceutical Classification System Class II Drugs.

    Science.gov (United States)

    Baghel, Shrawan; Cathcart, Helen; O'Reilly, Niall J

    2016-09-01

    Poor water solubility of many drugs has emerged as one of the major challenges in the pharmaceutical world. Polymer-based amorphous solid dispersions have been considered as the major advancement in overcoming limited aqueous solubility and oral absorption issues. The principle drawback of this approach is that they can lack necessary stability and revert to the crystalline form on storage. Significant upfront development is, therefore, required to generate stable amorphous formulations. A thorough understanding of the processes occurring at a molecular level is imperative for the rational design of amorphous solid dispersion products. This review attempts to address the critical molecular and thermodynamic aspects governing the physicochemical properties of such systems. A brief introduction to Biopharmaceutical Classification System, solid dispersions, glass transition, and solubility advantage of amorphous drugs is provided. The objective of this review is to weigh the current understanding of solid dispersion chemistry and to critically review the theoretical, technical, and molecular aspects of solid dispersions (amorphization and crystallization) and potential advantage of polymers (stabilization and solubilization) as inert, hydrophilic, pharmaceutical carrier matrices. In addition, different preformulation tools for the rational selection of polymers, state-of-the-art techniques for preparation and characterization of polymeric amorphous solid dispersions, and drug supersaturation in gastric media are also discussed.

  7. Polymeric Amorphous Solid Dispersions: A Review of Amorphization, Crystallization, Stabilization, Solid-State Characterization, and Aqueous Solubilization of Biopharmaceutical Classification System Class II Drugs.

    Science.gov (United States)

    Baghel, Shrawan; Cathcart, Helen; O'Reilly, Niall J

    2016-09-01

    Poor water solubility of many drugs has emerged as one of the major challenges in the pharmaceutical world. Polymer-based amorphous solid dispersions have been considered as the major advancement in overcoming limited aqueous solubility and oral absorption issues. The principle drawback of this approach is that they can lack necessary stability and revert to the crystalline form on storage. Significant upfront development is, therefore, required to generate stable amorphous formulations. A thorough understanding of the processes occurring at a molecular level is imperative for the rational design of amorphous solid dispersion products. This review attempts to address the critical molecular and thermodynamic aspects governing the physicochemical properties of such systems. A brief introduction to Biopharmaceutical Classification System, solid dispersions, glass transition, and solubility advantage of amorphous drugs is provided. The objective of this review is to weigh the current understanding of solid dispersion chemistry and to critically review the theoretical, technical, and molecular aspects of solid dispersions (amorphization and crystallization) and potential advantage of polymers (stabilization and solubilization) as inert, hydrophilic, pharmaceutical carrier matrices. In addition, different preformulation tools for the rational selection of polymers, state-of-the-art techniques for preparation and characterization of polymeric amorphous solid dispersions, and drug supersaturation in gastric media are also discussed. PMID:26886314

  8. Synthesis and characterization of an electrolyte system based on a biodegradable polymer

    Directory of Open Access Journals (Sweden)

    K. Sownthari

    2013-06-01

    Full Text Available A polymer electrolyte system has been developed using a biodegradable polymer namely poly-ε-caprolactone (PCL in combination with zinc triflate [Zn(CF3SO32] in different weight percentages and characterized during this investigation. Free-standing thin films of varying compositions were prepared by solution casting technique. The successful doping of the polymer has been confirmed by means of Fourier transform infrared spectroscopy (FTIR by analyzing the carbonyl (C=O stretching region of the polymer. The maximum ionic conductivity obtained at room temperature (25°C was found to be 8.8x10–6 S/cm in the case of PCL complexed with 25 wt% Zn(CF3SO32 which is five orders of magnitude higher than that of the pure polymer host material. The increase in amorphous phase with an increase in salt concentration of the prepared polymer electrolyte has also been confirmed from the concordant results obtained from X-ray diffraction (XRD, differential scanning calorimetry (DSC and scanning electron microscopic (SEM analyses. Furthermore, the electrochemical stability window of the prepared polymer electrolyte was found to be 3.7 V. An electrochemical cell has been fabricated based on Zn/MnO2 electrode couple as an application area and its discharge characteristics were evaluated.

  9. Solution-processed high-LUMO-level polymers in n-type organic field-effect transistors: a comparative study as a semiconducting layer, dielectric layer, or charge injection layer

    International Nuclear Information System (INIS)

    In solution-processed organic field-effect transistors (OFETs), the polymers with high level of lowest unoccupied molecular orbitals (LUMOs, > −3.5 eV) are especially susceptible to electron-trapping that causes low electron mobility and strong instability in successive operation. However, the role of high-LUMO-level polymers could be different depending on their locations relative to the semiconductor/insulator interface, or could even possibly benefit the device in some cases. We constructed unconventional polymer heterojunction n-type OFETs to control the location of the same polymer with a high LUMO level, to be in, under, or above the accumulation channel. We found that although the devices with the polymer in the channel suffer from dramatic instability, the same polymer causes much less instability when it acts as a dielectric modification layer or charge injection layer. Especially, it may even improve the device performance in the latter case. This result helps to improve our understanding of the electron-trapping and explore the value of these polymers in OFETs. (invited article)

  10. Aqueous Solution Processed Photoconductive Cathode Interlayer for High Performance Polymer Solar Cells with Thick Interlayer and Thick Active Layer.

    Science.gov (United States)

    Nian, Li; Chen, Zhenhui; Herbst, Stefanie; Li, Qingyuan; Yu, Chengzhuo; Jiang, Xiaofang; Dong, Huanli; Li, Fenghong; Liu, Linlin; Würthner, Frank; Chen, Junwu; Xie, Zengqi; Ma, Yuguang

    2016-09-01

    An aqueous-solution-processed photoconductive cathode interlayer is developed, in which the photoinduced charge transfer brings multiple advantages such as increased conductivity and electron mobility, as well as reduced work function. Average power conversion efficiency over 10% is achieved even when the thickness of the cathode interlayer and active layer is up to 100 and 300 nm, respectively.

  11. Amorphous silicon based particle detectors

    OpenAIRE

    Wyrsch, N; Franco, A; Riesen, Y.; Despeisse, M; S. Dunand; Powolny, F; Jarron, P.; Ballif, C.

    2012-01-01

    Radiation hard monolithic particle sensors can be fabricated by a vertical integration of amorphous silicon particle sensors on top of CMOS readout chip. Two types of such particle sensors are presented here using either thick diodes or microchannel plates. The first type based on amorphous silicon diodes exhibits high spatial resolution due to the short lateral carrier collection. Combination of an amorphous silicon thick diode with microstrip detector geometries permits to achieve micromete...

  12. Formation of fractals by the self-assembly of interpolymer adducts of polymethacrylic acid with complementary polymers in aqueous solution

    Indian Academy of Sciences (India)

    Kandhasamy Durai Murugan; Arlin Jose Amali; Paramasivam Natarajan

    2012-03-01

    Interpolymer adducts of poly(methacrylic acid), (PMAA), with poly(vinylpyrrolidone) in presence of sodium chloride or potassium chloride form highly ordered fractal patterns in films on glass surface on drying at ambient temperature. The structure, morphology and the conditions under which the formation of fractal patterns occurs were investigated by SEM, EDX and confocal microscopic techniques. Self-organization of PMAA with complementary polymers such as poly(vinylpyrrolidone) is well-known and in the presence of sodium chloride formation of the fractals in films of the adducts is a novel observation. Fractal formation occurs due to the aggregation of interpolymer adducts. The composition of the fractals in the film is studied by EDX and confocal microscopic images of the fluorophores covalently bound to PMAA. In presence of salts, sodium chloride or potassium chloride, micellar like entities of 80 nm size were formed which further aggregate to form fractal patterns. It is suggested that the fractals result from the interpolymer adduct by Diffusion Limited Aggregation mechanism.

  13. Nanofibers of Elastin and Hydrophilic Segmented Polyurethane Solution Blends Show Enhanced Mechanical Properties through Intermolecular Protein-Polymer H Bonding.

    Science.gov (United States)

    Heiny, Markus; Shastri, V Prasad

    2016-04-11

    Combining mechanical properties with enhanced cell interaction is highly desirable in a biomaterial. In this study, a new paradigm for enhancing the mechanical properties of segmented polyurethanes (SPUs) through solution blending with a biopolymer is presented. This noncovalent approach is based on the premise that molecular level blending of SPUs rich in hydrogen bonding (H bonding) domains with a biopolymer capable of H bonding will promote H-bond bridges between the components, leading to molecular annealing and modification of the physicochemical properties of the SPU. We demonstrate that by solution-blending solubilized elastin with a triblock copolymer-derived SPU, a 5-fold increase in tensile modulus of electrospun constructs of the SPU can be achieved, with concomitant enhancement in human endothelial cell attachment. Spectroscopic and calorimetric analysis confirm the role of H bonding in the enhancement, thus providing the impetus to further explore blending with biopolymers as a means of improving the property profiles of synthetic polymeric biomaterials. PMID:26940665

  14. Final Closeout report for grant FG36-08GO18018, titled: Functional Multi-Layer Solution Processable Polymer Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Adam J. Moule

    2012-05-01

    The original objectives were: (1) Develop a method to deposit multiple conjugated polymer film layers and avoid the problem of dissolution from mutually solubility; (2) Use this deposition method to develop multi-layer polymer based solar cells with layers that are function specific; (3) characterize these layers and devices; (4) develop electrical and optical models that describe and predict the properties of the multi-layers; and (5) Ultimate efficiency goals are {approx}6.75% with J{sub sc} = 12 mA/cm{sup 2}, FF = 0.75, and V{sub oc} = 0.75. The question of whether photovoltaic (PV) cells will ever be able to replace fossil fuels as the main provider of electrical power is not just a question of device efficiency; it is a question of how much power can be provided for what price. It has been well documented that PV devices at 10% power efficiency can provide for all of the world's power needs without covering too much of the earth's surface. Assuming desert like cloud coverage, an area equivalent to the land area of Texas would have to be covered. However, it has also been shown that using the current state-of-the-art silicon devices, the price-per-Watt will never be low enough to be economically feasible for large-scale development. Solution-processable PV devices based on polymers are a very attractive alternative to traditional Silicon PV because this technology is much lower in materials cost and in environmentally toxic waste production. Solution-based polymers can be rapidly deposited using printing technologies and are compatible with light-weight flexible substrates that can increase the range of available PV applications. In the past ten years, the efficiency of polymer based PV devices has increased from {approx}1% to over 10%. The highest efficiency organic solar cells are based upon a single layer than consists of a mixture of donor and acceptor moieties. This one layer has multiple optical and electrical functions, so the design of a

  15. Phase diagrams and kinetics of solid-liquid phase transitions in crystalline polymer blends

    Science.gov (United States)

    Matkar, Rushikesh A.

    A free energy functional has been formulated based on an order parameter approach to describe the competition between liquid-liquid phase separation and solid-liquid phase separation. In the free energy description, the assumption of complete solvent rejection from the crystalline phase that is inherent in the Flory diluent theory was removed as solvent has been found to reside in the crystalline phase in the form of intercalates. Using this approach, we have calculated various phase diagrams in binary blends of crystalline and amorphous polymers that show upper or lower critical solution temperature. Also, the discrepancy in the chi values obtained from different experimental methods reported in the literature for the polymer blend of poly(vinylidenefluoride) and poly(methylmethacrylate) has been discussed in the context of the present model. Experimental phase diagram for the polymer blend of poly(caprolactone) and polystyrene has also been calculated. Of particular importance is that the crystalline phase concentration as a function of temperature has been calculated using free energy minimization methods instead of assuming it to be pure. In the limit of complete immiscibility of the solvent in the crystalline phase, the Flory diluent theory is recovered. The model is extended to binary crystalline blends and the formation of eutectic, peritectic and azeotrope phase diagrams has been explained on the basis of departure from ideal solid solution behavior. Experimental eutectic phase diagram from literature of a binary blend of crystalline polymer poly(caprolactone) and trioxane were recalculated using the aforementioned approach. Furthermore, simulations on the spatio temporal dynamics of crystallization in blends of crystalline and amorphous polymers were carried out using the Ginzburg-Landau approach. These simulations have provided insight into the distribution of the amorphous polymer in the blends during the crystallization process. The simulated results

  16. Improved physical stability of amorphous state through acid base interactions.

    Science.gov (United States)

    Telang, Chitra; Mujumdar, Siddharthya; Mathew, Michael

    2009-06-01

    To investigate role of specific interactions in aiding formation and stabilization of amorphous state in ternary and binary dispersions of a weakly acidic drug. Indomethacin (IMC), meglumine (MU), and polyvinyl pyrollidone (PVP) were the model drug, base, and polymer, respectively. Dispersions were prepared using solvent evaporation. Physical mixtures were cryogenically coground. XRPD, PLM, DSC, TGA, and FTIR were used for characterization. MU has a high crystallization tendency and is characterized by a low T(g) (17 degrees C). IMC crystallization was inhibited in ternary dispersion with MU compared to IMC/PVP alone. An amorphous state formed readily even in coground mixtures. Spectroscopic data are indicative of an IMC-MU amorphous salt and supports solid-state proton transfer. IMC-MU salt displays a low T(g) approximately 50 degrees C, but is more physically stable than IMC, which in molecular mixtures with MU, resisted crystallization even when present in stoichiometric excess of base. This is likely due to a disrupted local structure of amorphous IMC due to specific interactions. IMC showed improved physical stability on incorporating MU in polymer, in spite of low T(g) of the base indicating that chemical interactions play a dominant role in physical stabilization. Salt formation could be induced thermally and mechanically.

  17. Sm-doped CeO{sub 2} single buffer layer for YBCO coated conductors by polymer assisted chemical solution deposition (PACSD) method

    Energy Technology Data Exchange (ETDEWEB)

    Li, G.; Pu, M.H.; Sun, R.P.; Wang, W.T.; Wu, W.; Zhang, X.; Yang, Y. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); Cheng, C.H. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW (Australia); Zhao, Y. [Key Laboratory of Magnetic Levitation Technologies and Maglev Trains (Ministry of Education of China), Superconductivity R and D Center (SRDC), Mail Stop 165, Southwest Jiaotong University, Chengdu 610031 (China); School of Materials Science and Engineering, University of New South Wales, Sydney, 2052 NSW (Australia)], E-mail: yzhao@home.swjtu.edu.cn

    2008-10-20

    An over 150 nm thick Sm{sub 0.2}Ce{sub 0.8}O{sub 1.9-x} (SCO) single buffer layer has been deposited on bi-axially textured NiW (2 0 0) alloy substrate. Highly in-plane and out-of-plane oriented, dense, smooth and crack free SCO single layer has been obtained via a polymer-assisted chemical solution deposition (PACSD) approach. YBCO thin film has been deposited equally via a PACSD route on the SCO-buffered NiW, the as grown YBCO yielding a sharp transition at T{sub c0} = 87 K as well as J{sub c}(0 T, 77 K) {approx} 1 MA/cm{sup 2}. These results indicates that RE (lanthanides other than Ce) doping may be an effective approach to improve the critical thickness of solution derived CeO{sub 2} film, which renders it a promising candidate as single buffer layer for YBCO coated conductors.

  18. Surface-Activated Amorphous Alloy Fuel Electrodes for Methanol Fuel Cell

    OpenAIRE

    Kawashima, Asahi; Hashimoto, Koji

    1983-01-01

    Amorphous alloy electrodes for electrochemical oxidation of methanol and its derivatives were obtained by the surface activation treatment consisting of electrodeposition of zinc on as-quenched amorphous alloy substrates, heating at 200-300℃ for 30 min, and subsequently leaching of zinc in an alkaline solution. The surface activation treatment provided a new method for the preparation of a large surface area on the amorphous alloys. The best result for oxidation of methanol, sodium formate an...

  19. Formation of amorphous Fe 50Si 50 alloy by diffusion reaction

    Science.gov (United States)

    Yan, Zhihua; Wang, Wenkui; Li, Jingfeng; Wang, Yuming

    1989-02-01

    The solid state reaction in the multilayer film with alternative polycrystalline Fe and amorphous Si layers has been studied with X-ray diffraction. Amorphous Fe 50Si 50 phase was formed after annealing isothermally at 300°C, which is explained in view of the consideration that an amorphous phase can be more favorable to form than a supersaturated solution in thermodynamics as well as than an equilibrium compound FeSi in kenetics.

  20. Preparation of amidoximated polymer composite based on CMK-3 for selective separation of uranium from aqueous solutions

    International Nuclear Information System (INIS)

    The ability of amidoximated mesoporous carbon (AO/CMK-3) by in situ polymerizing acrylonitrile onto the surface of mesoporous carbon (CMK-3) and reducing with hydroxylamine hydrochloride had been explored for the removal and recovery of uranium from aqueous solutions. The monolayer maximum capacity of AO/CMK-3 was improved from 69.20 of CMK-3 to 238.7 mg/g at 298 K. Calculated thermodynamic parameters showed endothermic property of the adsorption process, while kinetic parameters indicated that the interaction followed pseudo-second kinetic model. Selective separation of U(VI) from effluent by AO/CMK-3 was achieved. (author)