WorldWideScience

Sample records for model polymer system

  1. Stochastic Models of Polymer Systems

    Science.gov (United States)

    2016-01-01

    Distribution Unlimited Final Report: Stochastic Models of Polymer Systems The views, opinions and/or findings contained in this report are those of the...ADDRESS. Princeton University PO Box 0036 87 Prospect Avenue - 2nd floor Princeton, NJ 08544 -2020 14-Mar-2014 ABSTRACT Number of Papers published in...peer-reviewed journals: Number of Papers published in non peer-reviewed journals: Final Report: Stochastic Models of Polymer Systems Report Title

  2. Mechanistic modelling of drug release from polymer-coated and swelling and dissolving polymer matrix systems.

    Science.gov (United States)

    Kaunisto, Erik; Marucci, Mariagrazia; Borgquist, Per; Axelsson, Anders

    2011-10-10

    The time required for the design of a new delivery device can be sensibly reduced if the release mechanism is understood and an appropriate mathematical model is used to characterize the system. Once all the model parameters are obtained, in silico experiments can be performed, to provide estimates of the release from devices with different geometries and compositions. In this review coated and matrix systems are considered. For coated formulations, models describing the diffusional drug release, the osmotic pumping drug release, and the lag phase of pellets undergoing cracking in the coating due to the build-up of a hydrostatic pressure are reviewed. For matrix systems, models describing pure polymer dissolution, diffusion in the polymer and drug release from swelling and eroding polymer matrix formulations are reviewed. Importantly, the experiments used to characterize the processes occurring during the release and to validate the models are presented and discussed. Copyright © 2011 Elsevier B.V. All rights reserved.

  3. Monte Carlo simulations of lattice models for single polymer systems

    Science.gov (United States)

    Hsu, Hsiao-Ping

    2014-10-01

    Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N ˜ O(10^4). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and sqrt{10}, we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior.

  4. Monte Carlo simulations of lattice models for single polymer systems

    International Nuclear Information System (INIS)

    Hsu, Hsiao-Ping

    2014-01-01

    Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N∼O(10 4 ). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and √(10), we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior

  5. Molecular modeling in confined polymer and biomembrane systems

    Directory of Open Access Journals (Sweden)

    Jayeeta Ghosh

    2009-07-01

    Full Text Available The computational study of soft materials under confinement for bio- and nanotechnology still poses significantchallenges but has come a long way in the last decade. It is possible to realistically model and understand the fundamentalmechanisms which are at play if soft materials are confined to nanometer dimensions. Here, we present several recentexamples of such studies. Thin polymer films are abundantly used as friction modifiers or steric stabilizers. We show howsystematic modeling can shed light on the interplay between entropic and energetic interactions. Thin glassy films arecritical for the success of nanolithography. For that we have to understand the effect of confinement on the glass transitionbehavior in order to guarantee the stability and integrity of the lithographic masks. Simulations aim to understand the fundamental differences in the densities of states of glass formers in bulk and under confinement. With the advent of bionanotechnology the structure and phase behavior of lipid membranes as models for cellular membranes at the nano scale length is of importance due to implications in understanding the role of the lipids in biochemical membrane processes.

  6. Polymer mixtures in confined geometries: Model systems to explore ...

    Indian Academy of Sciences (India)

    to mean field behavior for very long chains, the critical behavior of mixtures confined into thin film geometry falls in the 2d Ising class irrespective of chain length. ..... AB interface does not approach the wall; (b) corresponds to a temperature .... Very recently, these theoretical studies have been extended to polymer mixtures.

  7. Delocalization in polymer models

    CERN Document Server

    Jitomirskaya, S Yu; Stolz, G

    2003-01-01

    A polymer model is a one-dimensional Schroedinger operator composed of two finite building blocks. If the two associated transfer matrices commute, the corresponding energy is called critical. Such critical energies appear in physical models, an example being the widely studied random dimer model. Although the random models are known to have pure-point spectrum with exponentially localized eigenstates for almost every configuration of the polymers, the spreading of an initially localized wave packet is here proven to be at least diffusive for every configuration.

  8. Mutual diffusion coefficient models for polymer-solvent systems based on the Chapman-Enskog theory

    Directory of Open Access Journals (Sweden)

    R. A. Reis

    2004-12-01

    Full Text Available There are numerous examples of the importance of small molecule migration in polymeric materials, such as in drying polymeric packing, controlled drug delivery, formation of films, and membrane separation, etc. The Chapman-Enskog kinetic theory of hard-sphere fluids with the Weeks-Chandler-Andersen effective hard-sphere diameter (Enskog-WCA has been the most fruitful in diffusion studies of simple fluids and mixtures. In this work, the ability of the Enskog-WCA model to describe the temperature and concentration dependence of the mutual diffusion coefficient, D, for a polystyrene-toluene system was evaluated. Using experimental diffusion data, two polymer model approaches and three mixing rules for the effective hard-sphere diameter were tested. Some procedures tested resulted in models that are capable of correlating the experimental data with the refereed system well for a solvent mass fraction greater than 0.3.

  9. Modeling and optimization of the air system in polymer exchange membrane fuel cell systems

    Energy Technology Data Exchange (ETDEWEB)

    Bao, Cheng; Ouyang, Minggao [State Key Laboratory of Automotive Safety and Energy, Tsinghua University, Beijing 100084 (China); Yi, Baolian [Dalian Institute of Chemical Physics, CAS, Dalian 116023 (China)

    2006-06-01

    Stack and air system are the two most important components in the fuel cell system (FCS). It is meaningful to study their properties and the trade-off between them. In this paper, a modified one-dimensional steady-state analytical fuel cell model is used. The logarithmic mean of the inlet and the outlet oxygen partial pressure is adopted to avoid underestimating the effect of air stoichiometry. And the pressure drop model in the grid-distributed flow field is included in the stack analysis. Combined with the coordinate change preprocessing and analog technique, neural network is used to treat the MAP of compressor and turbine in the air system. Three kinds of air system topologies, the pure screw compressor, serial booster and exhaust expander are analyzed in this article. A real-code genetic algorithm is programmed to obtain the global optimum air stoichiometric ratio and the cathode outlet pressure. It is shown that the serial booster and expander with the help of exhaust recycling, can improve more than 3% in the FCS efficiency comparing to the pure screw compressor. As the net power increases, the optimum cathode outlet pressure keeps rising and the air stoichiometry takes on the concave trajectory. The working zone of the proportional valve is also discussed. This presented work is helpful to the design of the air system in fuel cell system. The steady-state optimum can also be used in the dynamic control. (author)

  10. Modeling and optimization of the air system in polymer exchange membrane fuel cell systems

    Science.gov (United States)

    Bao, Cheng; Ouyang, Minggao; Yi, Baolian

    Stack and air system are the two most important components in the fuel cell system (FCS). It is meaningful to study their properties and the trade-off between them. In this paper, a modified one-dimensional steady-state analytical fuel cell model is used. The logarithmic mean of the inlet and the outlet oxygen partial pressure is adopted to avoid underestimating the effect of air stoichiometry. And the pressure drop model in the grid-distributed flow field is included in the stack analysis. Combined with the coordinate change preprocessing and analog technique, neural network is used to treat the MAP of compressor and turbine in the air system. Three kinds of air system topologies, the pure screw compressor, serial booster and exhaust expander are analyzed in this article. A real-code genetic algorithm is programmed to obtain the global optimum air stoichiometric ratio and the cathode outlet pressure. It is shown that the serial booster and expander with the help of exhaust recycling, can improve more than 3% in the FCS efficiency comparing to the pure screw compressor. As the net power increases, the optimum cathode outlet pressure keeps rising and the air stoichiometry takes on the concave trajectory. The working zone of the proportional valve is also discussed. This presented work is helpful to the design of the air system in fuel cell system. The steady-state optimum can also be used in the dynamic control.

  11. Measurement of infinite dilution activity coefficient and application of modified ASOG model for solvent-polymer systems

    Energy Technology Data Exchange (ETDEWEB)

    Choi, B.; Choi, J. [Kwangwoon University, Seoul (Korea, Republic of); Tochigi, K.; Kojima, K. [Nihon University, Tokyo (Japan)

    1996-04-20

    A gas chromatographic method was used in order to measure vapor-liquid equilibria for solvent (1)-polymer (2) systems in which the polymers were polystyrene, poly(a-methyl) styrene and the advents were benzene toluene cyclohexane methylisobutylketone, ethylacetate, and vinylacetate. The activity coefficients of solvents for solvent (1)-polymer (2) systems were measured at infinite dilution and the modified ASOG (Analytical Solution of Group) model was suggested to describe vapor-liquid equilibria of those systems within a range of temperatures 423.15K through 498.15K. The model consists of the original ASOG and the free volume term. An external degree of freedom in the free volume term empirically became to a C1={alpha}+{beta}/T as a function of temperature. Each tern in the modified ASOG model is based on the weight fraction. The external degree of freedom in the model was estimated by experimental data within a range of temperatures. As a result of doing it the infinite dilution activity coefficients calculated were agreed with the experimental data within an error of 0.1%. 27 refs., 3 figs., 7 tabs.

  12. Quasi-homogenous approximation for description of the properties of dispersed systems. The basic approaches to model hardening processes in nanodispersed silica systems. Part 1. Statical polymer method

    Directory of Open Access Journals (Sweden)

    KUDRYAVTSEV Pavel Gennadievich

    2015-02-01

    Full Text Available The paper deals with possibilities to use quasi-homogenous approximation for discription of properties of dispersed systems. The authors applied statistical polymer method based on consideration of average structures of all possible macromolecules of the same weight. The equiations which allow evaluating many additive parameters of macromolecules and the systems with them were deduced. Statistical polymer method makes it possible to model branched, cross-linked macromolecules and the systems with them which are in equilibrium or non-equilibrium state. Fractal analysis of statistical polymer allows modeling different types of random fractal and other objects examined with the mehods of fractal theory. The method of fractal polymer can be also applied not only to polymers but also to composites, gels, associates in polar liquids and other packaged systems. There is also a description of the states of colloid solutions of silica oxide from the point of view of statistical physics. This approach is based on the idea that colloid solution of silica dioxide – sol of silica dioxide – consists of enormous number of interacting particles which are always in move. The paper is devoted to the research of ideal system of colliding but not interacting particles of sol. The analysis of behavior of silica sol was performed according to distribution Maxwell-Boltzmann and free path length was calculated. Using this data the number of the particles which can overcome the potential barrier in collision was calculated. To model kinetics of sol-gel transition different approaches were studied.

  13. Monte Carlo simulations of confined polymer systems

    NARCIS (Netherlands)

    Vliet, Johannes Henricus van

    1991-01-01

    This thesis considers confined polymer systems. These systems are of considerable interest, e.g., thin polymer films, chromotography of polymer solutions, drag reduction, enhanced oil recovery, stabilization of colloidal dispersions, lubrication and biolubrication. The method used to study these

  14. Systematic comparison of model polymer nanocomposite mechanics.

    Science.gov (United States)

    Xiao, Senbo; Peter, Christine; Kremer, Kurt

    2016-09-13

    Polymer nanocomposites render a range of outstanding materials from natural products such as silk, sea shells and bones, to synthesized nanoclay or carbon nanotube reinforced polymer systems. In contrast to the fast expanding interest in this type of material, the fundamental mechanisms of their mixing, phase behavior and reinforcement, especially for higher nanoparticle content as relevant for bio-inorganic composites, are still not fully understood. Although polymer nanocomposites exhibit diverse morphologies, qualitatively their mechanical properties are believed to be governed by a few parameters, namely their internal polymer network topology, nanoparticle volume fraction, particle surface properties and so on. Relating material mechanics to such elementary parameters is the purpose of this work. By taking a coarse-grained molecular modeling approach, we study an range of different polymer nanocomposites. We vary polymer nanoparticle connectivity, surface geometry and volume fraction to systematically study rheological/mechanical properties. Our models cover different materials, and reproduce key characteristics of real nanocomposites, such as phase separation, mechanical reinforcement. The results shed light on establishing elementary structure, property and function relationship of polymer nanocomposites.

  15. Three-dimensional dynamic modelling of Polymer-Electrolyte-Membrane-Fuel-Cell-Systems; Dreidimensionale dynamische Modellierung und Berechnung von Polymer-Elektrolyt-Membran-Brennstoffzellen

    Energy Technology Data Exchange (ETDEWEB)

    Vath, Andreas

    2008-12-15

    This thesis deals with dynamic and multi-dimensional modelling of Polymer- Electrolyte-Membrane-Fuel-Cells (PEMFC). The developed models include all the different layers of the fuel cell e.g. flow field, gas diffusion layer, catalyst layer and membrane with their particular physical, chemical and electrical characteristics. The simulation results have been verified by detailed measurements performed at the research centre for hydrogen and solar energy in Ulm (ZSW Ulm). The developed three dimensional model describes the time- and spatial-dependent charge and mass transport in a fuel cell. Additionally, this model allows the analysis of critical operating conditions. For example, the current density distribution for different membranes is shown during insufficient humidification which results in local overstraining and degradation. The model also allows to analyse extreme critical operating conditions, e.g. short time breakdown of the humidification. Furthermore, the model shows the available potential of improvement opportunities in power density and efficiency of PEMFC due to optimisation of the gas diffusion layer, the catalyst and membrane. In the second part of the work the application of PEMFC systems for combined heat and power units is described by one-dimensional models for an electrical power range between 1 kW and 5 kW. This model contains the necessary components, e.g. gas processing, humidification, gas supply, fuel cell stack, heat storage, pumps, auxiliary burner, power inverter und additional aggregates. As a main result, it is possible to distinctly reduce the energy demand and the carbon dioxide exhaust for different load profiles. Today the costs for fuel cell systems are considerably higher than that of the conventional electrical energy supply. (orig.)

  16. Mathematical modeling of degradation for bulk-erosive polymers: applications in tissue engineering scaffolds and drug delivery systems.

    Science.gov (United States)

    Chen, Yuhang; Zhou, Shiwei; Li, Qing

    2011-03-01

    The degradation of polymeric biomaterials, which are widely exploited in tissue engineering and drug delivery systems, has drawn significant attention in recent years. This paper aims to develop a mathematical model that combines stochastic hydrolysis and mass transport to simulate the polymeric degradation and erosion process. The hydrolysis reaction is modeled in a discrete fashion by a fundamental stochastic process and an additional autocatalytic effect induced by the local carboxylic acid concentration in terms of the continuous diffusion equation. Illustrative examples of microparticles and tissue scaffolds demonstrate the applicability of the model. It is found that diffusive transport plays a critical role in determining the degradation pathway, whilst autocatalysis makes the degradation size dependent. The modeling results show good agreement with experimental data in the literature, in which the hydrolysis rate, polymer architecture and matrix size actually work together to determine the characteristics of the degradation and erosion processes of bulk-erosive polymer devices. The proposed degradation model exhibits great potential for the design optimization of drug carriers and tissue scaffolds. Copyright © 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  17. Polymer reinforcement of cement systems

    International Nuclear Information System (INIS)

    Swamy, R.N.

    1979-01-01

    In the last couple of decades several cement- and concrete-based composites have come into prominence. Of these, cement-polymer composites, like cement-fibre composites, have been recognised as very promising, and considerable research and development on their properties, fabrication methods and application are in progress. Of the three types of concrete materials which incorporate polymers to form composites, polymer impregnated concrete forms a major development in which hardened concrete is impregnated with a liquid monomer which is subsequently polymerized to form a rigid polymer network in the pores of the parent material. In this first part of the extensive review of the polymer reinforcement of cement systems, the process technology of the various monomer impregnation techniques and the properties of the impregnated composite are assessed critically. It is shown that the high durability and superior performance of polymer impregnated concrete can provide an economic and competitive alternative in in situ strengthening, and in other areas where conventional concrete can only at best provide adequate performance. The review includes a section on radiation-induced polymerization. (author)

  18. 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.

  19. Model-based diagnosis through Structural Analysis and Causal Computation for automotive Polymer Electrolyte Membrane Fuel Cell systems

    Science.gov (United States)

    Polverino, Pierpaolo; Frisk, Erik; Jung, Daniel; Krysander, Mattias; Pianese, Cesare

    2017-07-01

    The present paper proposes an advanced approach for Polymer Electrolyte Membrane Fuel Cell (PEMFC) systems fault detection and isolation through a model-based diagnostic algorithm. The considered algorithm is developed upon a lumped parameter model simulating a whole PEMFC system oriented towards automotive applications. This model is inspired by other models available in the literature, with further attention to stack thermal dynamics and water management. The developed model is analysed by means of Structural Analysis, to identify the correlations among involved physical variables, defined equations and a set of faults which may occur in the system (related to both auxiliary components malfunctions and stack degradation phenomena). Residual generators are designed by means of Causal Computation analysis and the maximum theoretical fault isolability, achievable with a minimal number of installed sensors, is investigated. The achieved results proved the capability of the algorithm to theoretically detect and isolate almost all faults with the only use of stack voltage and temperature sensors, with significant advantages from an industrial point of view. The effective fault isolability is proved through fault simulations at a specific fault magnitude with an advanced residual evaluation technique, to consider quantitative residual deviations from normal conditions and achieve univocal fault isolation.

  20. Informed Materials Discovery: Designing New Engineering Polymer Systems Using High Throughput Modeling Techniques

    Science.gov (United States)

    2016-10-27

    and molecu- lar physical structure into the prediction of the macroscopic constitutive properties and behaviour of the polymers. GIM uses a mean field...Cβ and Cg are related to the loss of DOFs over beta and glass transitions, where R is the molar gas constant and C is defined by: (2) C = NR (6.7T θ1...The compression yield behaviour of polymethyl methacrylate over a wide range of temperatures and strain-rates, Journal of Materials Science 8 (7

  1. Modelling anisotropic water transport in polymer composite ...

    Indian Academy of Sciences (India)

    Parameters for Fickian diffusion and polymer relaxation models were determined by .... Water transport process of resin and polymer composite specimens at ..... simulation. ... Kwon Y W and Bang H 1997 Finite element method using matlab.

  2. Surface properties of functional polymer systems

    Science.gov (United States)

    Wong, Derek

    Polymer surface modification typically involves blending with other polymers or chemical modification of the parent polymer. Such strategies inevitably result in polymer systems that are spatially and chemically heterogeneous, and which exhibit the phenomenon of surface segregation. This work investigates the effects of chain architecture on the surface segregation behavior of such functionally modified polymers using a series of end- and center-fluorinated poly(D,L-lactide). Surface segregation of the fluorinated functional groups was observed in both chain architectures via AMPS and water contact angle. Higher surface segregation was noted for functional groups located at the chain end as opposed to those in the middle of the chain. A self-consistent mean-field lattice theory was used to model the composition depth profiles of functional groups and excellent agreement was found between the model predictions and the experimental AMPS data in both chain architectures. Polymer properties are also in general dependent on both time and temperature, and exhibit a range of relaxation times in response to environmental stimuli. This behavior arises from the characteristic frequencies of molecular motions of the polymer chain and the interrelationship between time and temperature has been widely established for polymer bulk properties. There is evidence that surface properties also respond in a manner that is time and temperature dependent and that this dependence may not be the same as that observed for bulk properties. AMPS and water contact angle experiments were used to investigate the surface reorganization behavior of functional groups using a series of anionically synthesized end-fluorinated and end-carboxylated poly(styrene). It was found that both types of functional end-groups reorganized upon a change in the polarity of the surface environment in order to minimize the surface free energy. ADXPS and contact angle results suggest that the reorganization depth was

  3. Modelling anisotropic water transport in polymer composite

    Indian Academy of Sciences (India)

    This work reports anisotropic water transport in a polymer composite consisting of an epoxy matrix reinforced with aligned triangular bars made of vinyl ester. By gravimetric experiments, water diffusion in resin and polymer composites were characterized. Parameters for Fickian diffusion and polymer relaxation models were ...

  4. Advanced cathode materials for polymer electrolyte fuel cells based on pt/ metal oxides: from model electrodes to catalyst systems.

    Science.gov (United States)

    Fabbri, Emiliana; Pătru, Alexandra; Rabis, Annett; Kötz, Rüdiger; Schmidt, Thomas J

    2014-01-01

    The development of stable catalyst systems for application at the cathode side of polymer electrolyte fuel cells (PEFCs) requires the substitution of the state-of-the-art carbon supports with materials showing high corrosion resistance in a strongly oxidizing environment. Metal oxides in their highest oxidation state can represent viable support materials for the next generation PEFC cathodes. In the present work a multilevel approach has been adopted to investigate the kinetics and the activity of Pt nanoparticles supported on SnO2-based metal oxides. Particularly, model electrodes made of SnO2 thin films supporting Pt nanoparticles, and porous catalyst systems made of Pt nanoparticles supported on Sb-doped SnO2 high surface area powders have been investigated. The present results indicate that SnO2-based supports do not modify the oxygen reduction reaction mechanism on the Pt nanoparticle surface, but rather lead to catalysts with enhanced specific activity compared to Pt/carbon systems. Different reasons for the enhancement in the specific activity are considered and discussed.

  5. Molecular scale modeling of polymer imprint nanolithography.

    Science.gov (United States)

    Chandross, Michael; Grest, Gary S

    2012-01-10

    We present the results of large-scale molecular dynamics simulations of two different nanolithographic processes, step-flash imprint lithography (SFIL), and hot embossing. We insert rigid stamps into an entangled bead-spring polymer melt above the glass transition temperature. After equilibration, the polymer is then hardened in one of two ways, depending on the specific process to be modeled. For SFIL, we cross-link the polymer chains by introducing bonds between neighboring beads. To model hot embossing, we instead cool the melt to below the glass transition temperature. We then study the ability of these methods to retain features by removing the stamps, both with a zero-stress removal process in which stamp atoms are instantaneously deleted from the system as well as a more physical process in which the stamp is pulled from the hardened polymer at fixed velocity. We find that it is necessary to coat the stamp with an antifriction coating to achieve clean removal of the stamp. We further find that a high density of cross-links is necessary for good feature retention in the SFIL process. The hot embossing process results in good feature retention at all length scales studied as long as coated, low surface energy stamps are used.

  6. Confining multiple polymers between sticky walls: a directed walk model of two polymers

    International Nuclear Information System (INIS)

    Wong, Thomas; Rechnitzer, Andrew; Owczarek, Aleksander L

    2014-01-01

    We study a model of two polymers confined to a slit with sticky walls. More precisely, we find and analyse the exact solution of two directed friendly walks in such a geometry on the square lattice. We compare the infinite slit limit, in which the length of the polymer (thermodynamic limit) is taken to infinity before the width of the slit is considered to become large, to the opposite situation where the order of the limits are swapped, known as the half-plane limit when one polymer is modelled. In contrast with the single polymer system we find that the half-plane and infinite slit limits coincide. We understand this result in part due to the tethering of polymers on both walls of the slit. We also analyse the entropic force exerted by the polymers on the walls of the slit. Again the results differ significantly from single polymer models. In a single polymer system both attractive and repulsive regimes were seen, whereas in our two walk model only repulsive forces are observed. We do, however, see that the range of the repulsive force is dependent on the parameter values. This variation can be explained by the adsorption of the walks on opposite walls of the slit. (paper)

  7. 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.

  8. Industrial Irradiation of Polymers: Systems and Concepts

    International Nuclear Information System (INIS)

    Mittendorfer, J.

    2006-01-01

    This paper provides a systematic survey of systems and concepts used in the industrial irradiation of polymers. It consists basically of three parts: in the first part, different types of applications like wires and cables, pipes and engineering plastics are discussed and the associated irradiation systems analyzed and highlighted according their basics modules. These are identified as the radiation source, the product handling system, process control and facility/shielding layout. In the second part, the irradiation process design is reviewed in detail. The discussion starts with the requirement analysis, e.g. the desired polymer parameters and effects, continues with a process development roadmap and concludes with process verification and validation. Special attention is drawn to process control, which plays an important role in industrial irradiation technology. The use of mathematical modeling to facilitate and support process and system design is discussed as well and several examples are given which demonstrate their capabilities. In the third part, the design of a electron beam facility for the irradiation of small plastic parts for the automotive industry is worked out in detail. Besides system and product handling considerations, throughput and economical estimates are provided. The paper concludes with a summary of the design and concept bullets which proved to be important in history and can facilitate new developments which will enhance the potential of industrial polymer irradiation

  9. Entanglement effects in model polymer networks

    Science.gov (United States)

    Everaers, R.; Kremer, K.

    The influence of topological constraints on the local dynamics in cross-linked polymer melts and their contribution to the elastic properties of rubber elastic systems are a long standing problem in statistical mechanics. Polymer networks with diamond lattice connectivity (Everaers and Kremer 1995, Everaers and Kremer 1996a) are idealized model systems which isolate the effect of topology conservation from other sources of quenched disorder. We study their behavior in molecular dynamics simulations under elongational strain. In our analysis we compare the measured, purely entropic shear moduli G to the predictions of statistical mechanical models of rubber elasticity, making extensive use of the microscopic structural and topological information available in computer simulations. We find (Everaers and Kremer 1995) that the classical models of rubber elasticity underestimate the true change in entropy in a deformed network significantly, because they neglect the tension along the contour of the strands which cannot relax due to entanglements (Everaers and Kremer (in preparation)). This contribution and the fluctuations in strained systems seem to be well described by the constrained mode model (Everaers 1998) which allows to treat the crossover from classical rubber elasticity to the tube model for polymer networks with increasing strand length within one transparant formalism. While this is important for the description of the effects we try to do a first quantitative step towards their explanation by topological considerations. We show (Everaers and Kremer 1996a) that for the comparatively short strand lengths of our diamond networks the topology contribution to the shear modulus is proportional to the density of entangled mesh pairs with non-zero Gauss linking number. Moreover, the prefactor can be estimated consistently within a rather simple model developed by Vologodskii et al. and by Graessley and Pearson, which is based on the definition of an entropic

  10. New Polymer Electrolyte Cell Systems

    Science.gov (United States)

    Smyrl, William H.; Owens, Boone B.; Mann, Kent; Pappenfus, T.; Henderson, W.

    2004-01-01

    PAPERS PUBLISHED: 1. Pappenfus, Ted M.; Henderson, Wesley A.; Owens, Boone B.; Mann, Kent R.; Smyrl, William H. Complexes of Lithium Imide Salts with Tetraglyme and Their Polyelectrolyte Composite Materials. Journal of the Electrochemical Society (2004), 15 1 (2), A209-A2 15. 2. Pappenfus, Ted M.; Henderson, Wesley A.; Owens, Boone B.; Mann, Kent R.; Smyrl, William H. Ionic-liquidlpolymer electrolyte composite materials for electrochemical device applications. Polymeric Materials Science and Engineering (2003), 88 302. 3. Pappenfus, Ted R.; Henderson, Wesley A.; Owens, Boone B.; Mann, Kent R.; and Smyrl, William H. Ionic Conductivity of a poly(vinylpyridinium)/Silver Iodide Solid Polymer Electrolyte System. Solid State Ionics (in press 2004). 4. Pappenfus Ted M.; Mann, Kent R; Smyrl, William H. Polyelectrolyte Composite Materials with LiPFs and Tetraglyme. Electrochemical and Solid State Letters, (2004), 7(8), A254.

  11. Development of controlled drug release systems based on thiolated polymers.

    Science.gov (United States)

    Bernkop-Schnürch, A; Scholler, S; Biebel, R G

    2000-05-03

    The purpose of the present study was to generate mucoadhesive matrix-tablets based on thiolated polymers. Mediated by a carbodiimide, L-cysteine was thereby covalently linked to polycarbophil (PCP) and sodium carboxymethylcellulose (CMC). The resulting thiolated polymers displayed 100+/-8 and 1280+/-84 micromol thiol groups per gram, respectively (means+/-S.D.; n=6-8). In aqueous solutions these modified polymers were capable of forming inter- and/or intramolecular disulfide bonds. The velocity of this process augmented with increase of the polymer- and decrease of the proton-concentration. The oxidation proceeded more rapidly within thiolated PCP than within thiolated CMC. Due to the formation of disulfide bonds within thiol-containing polymers, the stability of matrix-tablets based on such polymers could be strongly improved. Whereas tablets based on the corresponding unmodified polymer disintegrated within 2 h, the swollen carrier matrix of thiolated CMC and PCP remained stable for 6.2 h (mean, n=4) and more than 48 h, respectively. Release studies of the model drug rifampicin demonstrated that a controlled release can be provided by thiolated polymer tablets. The combination of high stability, controlled drug release and mucoadhesive properties renders matrix-tablets based on thiolated polymers useful as novel drug delivery systems.

  12. Restrictions in Model Reduction for Polymer Chain Models in Dissipative Particle Dynamics

    KAUST Repository

    Moreno Chaparro, Nicolas

    2014-06-06

    We model high molecular weight homopolymers in semidilute concentration via Dissipative Particle Dynamics (DPD). We show that in model reduction methodologies for polymers it is not enough to preserve system properties (i.e., density ρ, pressure p, temperature T, radial distribution function g(r)) but preserving also the characteristic shape and length scale of the polymer chain model is necessary. In this work we apply a DPD-model-reduction methodology for linear polymers recently proposed; and demonstrate why the applicability of this methodology is limited upto certain maximum polymer length, and not suitable for solvent coarse graining.

  13. Restrictions in Model Reduction for Polymer Chain Models in Dissipative Particle Dynamics

    KAUST Repository

    Moreno Chaparro, Nicolas; Nunes, Suzana Pereira; Calo, Victor M.

    2014-01-01

    We model high molecular weight homopolymers in semidilute concentration via Dissipative Particle Dynamics (DPD). We show that in model reduction methodologies for polymers it is not enough to preserve system properties (i.e., density ρ, pressure p, temperature T, radial distribution function g(r)) but preserving also the characteristic shape and length scale of the polymer chain model is necessary. In this work we apply a DPD-model-reduction methodology for linear polymers recently proposed; and demonstrate why the applicability of this methodology is limited upto certain maximum polymer length, and not suitable for solvent coarse graining.

  14. Interaction of multiple biomimetic antimicrobial polymers with model bacterial membranes

    Energy Technology Data Exchange (ETDEWEB)

    Baul, Upayan, E-mail: upayanb@imsc.res.in; Vemparala, Satyavani, E-mail: vani@imsc.res.in [The Institute of Mathematical Sciences, C.I.T. Campus, Taramani, Chennai 600113 (India); Kuroda, Kenichi, E-mail: kkuroda@umich.edu [Department of Biologic and Materials Sciences, University of Michigan School of Dentistry, Ann Arbor, Michigan 48109 (United States)

    2014-08-28

    Using atomistic molecular dynamics simulations, interaction of multiple synthetic random copolymers based on methacrylates on prototypical bacterial membranes is investigated. The simulations show that the cationic polymers form a micellar aggregate in water phase and the aggregate, when interacting with the bacterial membrane, induces clustering of oppositely charged anionic lipid molecules to form clusters and enhances ordering of lipid chains. The model bacterial membrane, consequently, develops lateral inhomogeneity in membrane thickness profile compared to polymer-free system. The individual polymers in the aggregate are released into the bacterial membrane in a phased manner and the simulations suggest that the most probable location of the partitioned polymers is near the 1-palmitoyl-2-oleoyl-phosphatidylglycerol (POPG) clusters. The partitioned polymers preferentially adopt facially amphiphilic conformations at lipid-water interface, despite lacking intrinsic secondary structures such as α-helix or β-sheet found in naturally occurring antimicrobial peptides.

  15. Lattice models of directed and semiflexible polymers in anisotropic environment

    International Nuclear Information System (INIS)

    Haydukivska, K; Blavatska, V

    2015-01-01

    We study the conformational properties of polymers in presence of extended columnar defects of parallel orientation. Two classes of macromolecules are considered: the so-called partially directed polymers with preferred orientation along direction of the external stretching field and semiflexible polymers. We are working within the frames of lattice models: partially directed self-avoiding walks (PDSAWs) and biased self-avoiding walks (BSAWs). Our numerical analysis of PDSAWs reveals, that competition between the stretching field and anisotropy caused by presence of extended defects leads to existing of three characteristic length scales in the system. At each fixed concentration of disorder we found a transition point, where the influence of extended defects is exactly counterbalanced by the stretching field. Numerical simulations of BSAWs in anisotropic environment reveal an increase of polymer stiffness. In particular, the persistence length of semiflexible polymers increases in presence of disorder. (paper)

  16. Polymer-based platform for microfluidic systems

    Science.gov (United States)

    Benett, William [Livermore, CA; Krulevitch, Peter [Pleasanton, CA; Maghribi, Mariam [Livermore, CA; Hamilton, Julie [Tracy, CA; Rose, Klint [Boston, MA; Wang, Amy W [Oakland, CA

    2009-10-13

    A method of forming a polymer-based microfluidic system platform using network building blocks selected from a set of interconnectable network building blocks, such as wire, pins, blocks, and interconnects. The selected building blocks are interconnectably assembled and fixedly positioned in precise positions in a mold cavity of a mold frame to construct a three-dimensional model construction of a microfluidic flow path network preferably having meso-scale dimensions. A hardenable liquid, such as poly (dimethylsiloxane) is then introduced into the mold cavity and hardened to form a platform structure as well as to mold the microfluidic flow path network having channels, reservoirs and ports. Pre-fabricated elbows, T's and other joints are used to interconnect various building block elements together. After hardening the liquid the building blocks are removed from the platform structure to make available the channels, cavities and ports within the platform structure. Microdevices may be embedded within the cast polymer-based platform, or bonded to the platform structure subsequent to molding, to create an integrated microfluidic system. In this manner, the new microfluidic platform is versatile and capable of quickly generating prototype systems, and could easily be adapted to a manufacturing setting.

  17. Development of a continuous flow model system for studies of biofilm formation on polymers and its application on PVC-C and PVC-P

    DEFF Research Database (Denmark)

    Corfitzen, Charlotte B.; Albrechtsen, Hans-Jørgen

    could be harvested from three different combinations of flow velocity and residence time. Biofilm formation was followed by ATP analysis on test material (chlorinated polyvinylchloride, PVC-C), negative control (stainless steel) and positive control (plasticized polyvinylchloride, PVC-P) incubated......-C, while most of the very deviating values for PVC-P were between 2-13,000 pg ATP/cm2. During 43 weeks of operation of the continuous flow model systems the biofilm formation increased on all three materials, with biofilm formation on PVC-C at the same level as on the negative steel control (values of 75...... system. In this study, a continuous flow model system was developed, for investigating biofilm formation on polymers, simulating conditions in the distribution system. Commercially available pipes were used for exchangeable test pieces, which allowed for testing over prolonged time periods. Test pieces...

  18. Polymer systems testing: Final report

    International Nuclear Information System (INIS)

    1993-01-01

    Los Alamos National Laboratory (LANL) is in the process of decontaminating lead shielding material. The procedure involves abrasive surface etching of the shielding to remove the outer layer of lead that contains the majority of the radioactive contaminants. This procedure generates a small volume of mixed waste in the form of a wet residue containing lead, abrasive grit (Al 2 O 3 ), uranium and water. IC Technologies, Inc. (ICT) has developed several processes for the treatment of mixed wastes involving stabilizing/encapsulating the waste in a polymer monolith. The objective of the test program was to verify the applicability of ICT's technology to this specific waste stream and provide LANL baseline data on the performance of polymer encapsulation techniques. Polymer microencapsulation of lead shielding/blasting grit (surrogate) mixed waste was evaluated. Two polymers, melamine formaldehyde and polyester xylene, were used to examine the effect of waste loading on Toxicity Characteristic Leaching Procedure (TCLP) extract Pb concentration. Six levels of waste loading were evaluated by eleven tests. Significant reduction in Pb solubility during TCLP was achieved. Additional optimization to the single-stage microencapsulation technique utilized will be necessary to mitigate the toxic (RCRA) characteristic of the waste

  19. Molecular dynamics modeling of polymer flammability

    International Nuclear Information System (INIS)

    Nyden, M.R.; Brown, J.E.; Lomakin, S.M.

    1992-01-01

    Molecular dynamic simulations were used to identify factors which promote char formation during the thermal degradation of polymers. Computer movies based on these simulations, indicate that cross-linked model polymers tend to undergo further cross-linking when burned, eventually forming a high molecular weight, thermally stable char. This paper reports that the prediction was confirmed by char yield measurements made on γ and e - -irradiated polyethylene and chemically cross-linked poly(methyl methacrylate)

  20. Effect of attractive interactions between polymers on the effective force acting between colloids immersed in a polymer system: Analytic liquid-state theory.

    Science.gov (United States)

    Chervanyov, A I

    2016-12-28

    By making use of the polymer reference interaction site model, we analytically study the effect of attractive interactions between polymers on the effective forces acting between colloids immersed in a polymer system. The performed theoretical analysis has no restrictions with respect to the polymer density and relative sizes of the colloids and polymers. The polymer mediated (PM) potential acting between colloids is shown to significantly depend on the strength and range of the polymer-polymer interactions. In the nano-particle limit, where the colloid radius is much smaller than the polymer gyration radius, the presence of attractive polymer-polymer interactions causes only quantitative changes to the PM potential. In the opposite limit of relatively large colloids, the polymer-polymer interactions revert the sign of the total effective force acting between colloids so that this force becomes attractive at sufficiently large polymer densities. With the objective to study an intricate interplay between the attractive PM forces and steric repulsion in different polymer density regimes, we calculate the second virial coefficient B of the total effective potential acting between colloids. The dependence of B on the polymer density is discussed in detail, revealing several novel features of the PM interactions caused by the presence of attractive polymer-polymer interactions.

  1. A tri-generation system based on polymer electrolyte fuel cell and desiccant wheel – Part A: Fuel cell system modelling and partial load analysis

    International Nuclear Information System (INIS)

    Najafi, Behzad; De Antonellis, Stefano; Intini, Manuel; Zago, Matteo; Rinaldi, Fabio; Casalegno, Andrea

    2015-01-01

    Highlights: • A mathematical model for a PEMFC based cogeneration system is developed. • Developed model is validated using the available experimental data. • Performance of the plant at full load conditions is investigated. • Performance indices while applying two different modifications are determined. • System’s performance with and without modifications at partial loads is investigated. - Abstract: Polymer Electrolyte Membrane Fuel Cell (PEMFC) based systems have recently received increasing attention as a viable alternative for meeting the residential electrical and thermal demands. However, as the intermittent demand profiles of a building can only be addressed by a tri-generative unit which can operate at partial loads, the variation of performance of the system at partial loads might affect its corresponding potential benefits significantly. Nonetheless, no previous study has been carried out on assessing the performance of this type of tri-generative systems in such conditions. The present paper is the first of a two part study dedicated to the investigation of the performance of a tri-generative system in which a PEMFC based system is coupled with a desiccant wheel unit. This study is focused on evaluating the performance of the PEMFC subsystem while operating at partial loads. Accordingly, a detailed mathematical model of the fuel cell subsystem is first developed and validated using the experimental data obtained from the plant’s and the fuel cell stack’s manufacturer. Next, in order to increase the performance of the plant, two modifications have been proposed and the resulting performance at partial load have been determined. The obtained results demonstrate that applying both modifications results in increasing the electrical efficiency of the plant by 5.5%. It is also shown that, while operating at partial loads, the electrical efficiency of the plant does not significantly change; the fact which corresponds to the trade-off between

  2. Processing of (in)tractable polymers using reactive solvents, 4: Structure development in the model system poly(ethylene)/styrene

    NARCIS (Netherlands)

    Goossens, J.G.P.; Rastogi, S.; Meijer, H.E.H.; Lemstra, P.J.

    1998-01-01

    The use of reactive solvents provides a unique opportunity to extend the processing characteristics of both intractable and standard (tractable) polymers beyond existing limits. The polymer to be processed is dissolved in the reactive solvent (monomer) and the solution is transferred into a mould.

  3. Nonlinear Response of Strong Nonlinear System Arisen in Polymer Cushion

    Directory of Open Access Journals (Sweden)

    Jun Wang

    2013-01-01

    Full Text Available A dynamic model is proposed for a polymer foam-based nonlinear cushioning system. An accurate analytical solution for the nonlinear free vibration of the system is derived by applying He's variational iteration method, and conditions for resonance are obtained, which should be avoided in the cushioning design.

  4. Multiscale approach to equilibrating model polymer melts

    DEFF Research Database (Denmark)

    Svaneborg, Carsten; Ali Karimi-Varzaneh, Hossein; Hojdis, Nils

    2016-01-01

    We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally at the monomeric scale. We make use of models designed...

  5. Polymer hydrogels as optimized delivery systems

    Energy Technology Data Exchange (ETDEWEB)

    Batista, Jorge G.S.; Varca, Gustavo H.C.; Ferraz, Caroline C.; Garrido, Gabriela P.; Diniz, Bruna M.; Carvalho, Vinicius S.; Lugao, Ademar B., E-mail: jorgegabriel@usp.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

    2013-07-01

    Hydrogels are formed by polymers capable of absorbing large quantities of water. They consist of one or more three-dimensionally structured polymer networks formed by macromolecular chains linked by covalent bonds-crosslinks - and physical interactions. The application of hydrogels, has been widely studied. Biodegradable synthetic or natural polymers such as chitosan, starch and poly-lactic-co-glycolic acid, have properties that allow the development of biodegradable systems for drug and nutraceutics delivery. This study aimed to develop polymeric hydrogels based on polyvinyl alcohol, polyacrylamide and polyvinylpyrrolidone using ionizing radiation in order to develop hydrogels for improved loading and release of compounds. Polymer solutions were solubilized in water and poured into thermoformed packages. After sealing, the material was subjected to γ-irradiation at 25kGy. The samples were assayed by means of mechanical properties, gel fraction and swelling degree. Nanostructure characterization was performed using Flory's equation to determine crosslinking density. The systems developed showed swelling degree and adequate mechanical resistance. The nanostructure evaluation showed different results for each system demonstrating the need of choosing the polymer based on the specific properties of each material. (author)

  6. Polymer hydrogels as optimized delivery systems

    International Nuclear Information System (INIS)

    Batista, Jorge G.S.; Varca, Gustavo H.C.; Ferraz, Caroline C.; Garrido, Gabriela P.; Diniz, Bruna M.; Carvalho, Vinicius S.; Lugao, Ademar B.

    2013-01-01

    Hydrogels are formed by polymers capable of absorbing large quantities of water. They consist of one or more three-dimensionally structured polymer networks formed by macromolecular chains linked by covalent bonds-crosslinks - and physical interactions. The application of hydrogels, has been widely studied. Biodegradable synthetic or natural polymers such as chitosan, starch and poly-lactic-co-glycolic acid, have properties that allow the development of biodegradable systems for drug and nutraceutics delivery. This study aimed to develop polymeric hydrogels based on polyvinyl alcohol, polyacrylamide and polyvinylpyrrolidone using ionizing radiation in order to develop hydrogels for improved loading and release of compounds. Polymer solutions were solubilized in water and poured into thermoformed packages. After sealing, the material was subjected to γ-irradiation at 25kGy. The samples were assayed by means of mechanical properties, gel fraction and swelling degree. Nanostructure characterization was performed using Flory's equation to determine crosslinking density. The systems developed showed swelling degree and adequate mechanical resistance. The nanostructure evaluation showed different results for each system demonstrating the need of choosing the polymer based on the specific properties of each material. (author)

  7. Selectivity of radiation-induced processes in hydrocarbons, related polymers and organized polymer systems

    International Nuclear Information System (INIS)

    Feldman, V.I.; Sukhov, F.F.; Zezin, A.A.; Orlov, A.Yu.

    1999-01-01

    Fundamental aspects of the selectivity of radiation-induced events in polymers and polymeric systems were considered: (1) The grounds of selectivity of the primary events were analyzed on the basis of the results of studies of model compounds (molecular aspect). Basic results were obtained for hydrocarbon molecules irradiated in low-temperature matrices. The effects of selective localization of the primary events on the radical formation were examined for several polymers irradiated at low and superlow temperatures (77 and 15 K). A remarkable correlation between the properties of prototype ionized molecules (radical cations) and selectivity of the primary bond rupture in the corresponding polymers were found for polyethylene, polystyrene and some other hydrocarbon polymers. The first direct indication of selective localization of primary events at conformational defects was obtained for oriented high-crystalline polyethylene irradiated at 15 K. The significance of dimeric ring association was proved for the radiation chemistry of polystyrene. Specific mechanisms of low-temperature radiation-induced degradation were also analyzed for polycarbonate and poly(alkylene terephthalates). (2) Specific features of the localization of primary radiation-induced events in microheterogeneous polymeric systems were investigated (microstructural aspect). It was found that the interphase processes played an important role in the radiation chemistry of such systems. The interphase electron migration may result in both positive and negative non-additive effects in the formation of radiolysis products. The effects of component diffusion and chemical reactions on the radiation-induced processes in microheterogeneous polymeric systems were studied with the example of polycarbonate - poly(alkylene terephthalate) blends. (3) The effects of restricted molecular motion on the development of the radiation-chemical processes in polymers were investigated (dynamic aspect). In particular, it

  8. Non standard analysis, polymer models, quantum fields

    International Nuclear Information System (INIS)

    Albeverio, S.

    1984-01-01

    We give an elementary introduction to non standard analysis and its applications to the theory of stochastic processes. This is based on a joint book with J.E. Fenstad, R. Hoeegh-Krohn and T. Lindstroeem. In particular we give a discussion of an hyperfinite theory of Dirichlet forms with applications to the study of the Hamiltonian for a quantum mechanical particle in the potential created by a polymer. We also discuss new results on the existence of attractive polymer measures in dimension d 1 2 phi 2 2 )sub(d)-model of interacting quantum fields. (orig.)

  9. Polymer association in a microemulsion system

    International Nuclear Information System (INIS)

    Fountain, L.E.; Shahidan Radiman; Toprakcioglu, C.

    1997-01-01

    Using small angle neutron scattering technique with appropriate contrast we have been able to elucidate some associations structures of polystyrene (PS) and triblock co-polymers of polyethylene oxide-polystyrene- polyethylene oxide (PEO-PS-PEO) in a water-in-oil microemulsion system

  10. Polymers for Pharmaceutical Packaging and Delivery Systems

    DEFF Research Database (Denmark)

    Fristrup, Charlotte Juel

    materials of interest for pharmaceutical packaging and delivery systems. Confocal fluorescence microscopy studies and stability studies with insulin aspart (AspB28 insulin) were conducted to evaluate the impact of modified PP compared to unmodified PP. In contrast to PEEK, PP did not contain any functional....... In order to decrease the amount of catalyst residual in the modified materials, activator regenerated by electron transfer (ARGET) SI-ATRP was applied in the second experimental round. Two poly(ethylene glycol)methyl ether methacrylate (MPEGMA) monomers with 4 and 23 ethylene oxide units in the side chain......Selection of polymer materials which will be exposed to protein drugs in either containers or medical devices is often very challenging due to the demands on the polymers. Suitable polymer materials should comply with requirements like compatibility with proteins, sterilisability, good barrier...

  11. Can polymer thermal oxidative ageing be modelled?

    International Nuclear Information System (INIS)

    Audouin, L.; Colin, X.; Fayolle, B.; Richaud, E.; Verdu, J.

    2010-01-01

    It has been supposed, for a long time, that kinetic modelling of polymer ageing for nonempirical lifetime prediction was out of reach for two main reasons: hyper-complexity of mechanisms and heterogeneity of reactions. The arguments relative to both aspects are examined here. It is concluded that, thanks to recent advances, especially the introduction of numerical methods, kinetic modelling is possible in various important practical cases. (authors)

  12. Modelling Polymer Deformation during 3D Printing

    Science.gov (United States)

    McIlroy, Claire; Olmsted, Peter

    Three-dimensional printing has the potential to transform manufacturing processes, yet improving the strength of printed parts, to equal that of traditionally-manufactured parts, remains an underlying issue. The fused deposition modelling technique involves melting a thermoplastic, followed by layer-by-layer extrusion to fabricate an object. The key to ensuring strength at the weld between layers is successful inter-diffusion. However, prior to welding, both the extrusion process and the cooling temperature profile can significantly deform the polymer micro-structure and, consequently, how well the polymers are able to ``re-entangle'' across the weld. In particular, polymer alignment in the flow can cause de-bonding of the layers and create defects. We have developed a simple model of the non-isothermal extrusion process to explore the effects that typical printing conditions and material rheology have on the conformation of a polymer melt. In particular, we incorporate both stretch and orientation using the Rolie-Poly constitutive equation to examine the melt structure as it flows through the nozzle, the subsequent alignment with the build plate and the resulting deformation due to the fixed nozzle height, which is typically less than the nozzle radius.

  13. Phases of polymer systems in solution studied via molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Joshua Allen [Iowa State Univ., Ames, IA (United States)

    2009-05-01

    Polymers are amazingly versatile molecules with a tremendous range of applications. Our lives would be very different without them. There would be no multitudes of plastic encased electronic gizmos, no latex paint on the walls and no rubber tires, just to name a few of the many commonplace polymer materials. In fact, life as we know it wouldn’t exist without polymers as two of the most essential types of molecules central to cellular life, Proteins and DNA, are both polymers! [1] With their wide range of application to a variety of uses, polymers are still a very active field in basic research. Of particular current interest is the idea of combining polymers with inorganic particles to form novel composite materials. [2] As computers are becoming faster, they are becoming all the more powerful tools for modeling and simulating real systems. With recent advances in computing on graphics processing units (GPUs) [3–7], questions can now be answered via simulation that could not even be asked before. This thesis focuses on the use of computer simulations to model novel polymerinorganic composite systems in order to predict what possible phases can form and under what conditions. The goal is to provide some direction for future experiments and to gain a deeper understanding of the fundamental physics involved. Along the way, there are some interesting and essential side-tracks in the areas of equilibrating complicated phases and accelerating the available computer power with GPU computing, both of which are necessary steps to enable the study of polymer nanocomposites.

  14. Nanotechnology convergence and modeling paradigm of sustainable energy system using polymer electrolyte membrane fuel cell as a benchmark example

    International Nuclear Information System (INIS)

    Chung, Pil Seung; So, Dae Sup; Biegler, Lorenz T.; Jhon, Myung S.

    2012-01-01

    Developments in nanotechnology have led to innovative progress and converging technologies in engineering and science. These demand novel methodologies that enable efficient communications from the nanoscale all the way to decision-making criteria for actual production systems. In this paper, we discuss the convergence of nanotechnology and novel multi-scale modeling paradigms by using the fuel cell system as a benchmark example. This approach includes complex multi-phenomena at different time and length scales along with the introduction of an optimization framework for application-driven nanotechnology research trends. The modeling paradigm introduced here covers the novel holistic integration from atomistic/molecular phenomena to meso/continuum scales. System optimization is also discussed with respect to the reduced order parameters for a coarse-graining procedure in multi-scale model integration as well as system design. The development of a hierarchical multi-scale paradigm consolidates the theoretical analysis and enables large-scale decision-making of process level design, based on first-principles, and therefore promotes the convergence of nanotechnology to sustainable energy technologies.

  15. Nanotechnology convergence and modeling paradigm of sustainable energy system using polymer electrolyte membrane fuel cell as a benchmark example

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Pil Seung; So, Dae Sup; Biegler, Lorenz T.; Jhon, Myung S., E-mail: mj3a@andrew.cmu.edu [Carnegie Mellon University, Department of Chemical Engineering (United States)

    2012-08-15

    Developments in nanotechnology have led to innovative progress and converging technologies in engineering and science. These demand novel methodologies that enable efficient communications from the nanoscale all the way to decision-making criteria for actual production systems. In this paper, we discuss the convergence of nanotechnology and novel multi-scale modeling paradigms by using the fuel cell system as a benchmark example. This approach includes complex multi-phenomena at different time and length scales along with the introduction of an optimization framework for application-driven nanotechnology research trends. The modeling paradigm introduced here covers the novel holistic integration from atomistic/molecular phenomena to meso/continuum scales. System optimization is also discussed with respect to the reduced order parameters for a coarse-graining procedure in multi-scale model integration as well as system design. The development of a hierarchical multi-scale paradigm consolidates the theoretical analysis and enables large-scale decision-making of process level design, based on first-principles, and therefore promotes the convergence of nanotechnology to sustainable energy technologies.

  16. Modeling CO2 Laser Ablative Impulse with Polymers

    International Nuclear Information System (INIS)

    Sinko, John E.; Phipps, Claude R.; Sasoh, Akihiro

    2010-01-01

    Laser ablation vaporization models have usually ignored the spatial dependence of the laser beam. Here, we consider effects from modeling using a Gaussian beam for both photochemical and photothermal conditions. The modeling results are compared to experimental and literature data for CO 2 laser ablation of the polymer polyoxymethylene under vacuum, and discussed in terms of the ablated mass areal density and momentum coupling coefficient. Extending the scope of discussion, laser ablative impulse generation research has lacked a cohesive strategy for linking the vaporization and plasma regimes. Existing models, mostly formulated for ultraviolet laser systems or metal targets, appear to be inappropriate or impractical for applications requiring CO 2 laser ablation of polymers. A recently proposed method for linking the vaporization and plasma regimes for analytical modeling is addressed here along with the implications of its use. Key control parameters are considered, along with the major propulsion parameters needed for laser ablation propulsion modeling.

  17. Nanostructures for all-polymer microfluidic systems

    DEFF Research Database (Denmark)

    Matschuk, Maria; Bruus, Henrik; Larsen, Niels Bent

    2010-01-01

    antistiction coating was found to improve the replication fidelity (shape and depth) of nanoscale features substantially. Arrays of holes of 50 nm diameter/35 nm depth and 100 nm/100 nm diameter, respectively, were mass-produced in cyclic olefin copolymer (Topas 5013) by injection molding. Polymer microfluidic...... channel chip parts resulted from a separate injection molding process. The microfluidic chip part and the nanostructured chip part were successfully bonded to form a sealed microfluidic system using air plasma assisted thermal bonding....

  18. Polymers for hydrogen infrastructure and vehicle fuel systems :

    Energy Technology Data Exchange (ETDEWEB)

    Barth, Rachel Reina; Simmons, Kevin L.; San Marchi, Christopher W.

    2013-10-01

    This document addresses polymer materials for use in hydrogen service. Section 1 summarizes the applications of polymers in hydrogen infrastructure and vehicle fuel systems and identifies polymers used in these applications. Section 2 reviews the properties of polymer materials exposed to hydrogen and/or high-pressure environments, using information obtained from published, peer-reviewed literature. The effect of high pressure on physical and mechanical properties of polymers is emphasized in this section along with a summary of hydrogen transport through polymers. Section 3 identifies areas in which fuller characterization is needed in order to assess material suitability for hydrogen service.

  19. Viscosity of the oil-in-water Pickering emulsion stabilized by surfactant-polymer and nanoparticle-surfactant-polymer system

    Science.gov (United States)

    Sharma, Tushar; Kumar, G. Suresh; Chon, Bo Hyun; Sangwai, Jitendra S.

    2014-11-01

    Information on the viscosity of Pickering emulsion is required for their successful application in upstream oil and gas industry to understand their stability at extreme environment. In this work, a novel formulation of oil-in-water (o/w) Pickering emulsion stabilized using nanoparticle-surfactant-polymer (polyacrylamide) system as formulated in our earlier work (Sharma et al., Journal of Industrial and Engineering Chemistry, 2014) is investigated for rheological stability at high pressure and high temperature (HPHT) conditions using a controlled-strain rheometer. The nanoparticle (SiO2 and clay) concentration is varied from 1.0 to 5.0 wt%. The results are compared with the rheological behavior of simple o/w emulsion stabilized by surfactant-polymer system. Both the emulsions exhibit non-Newtonian shear thinning behavior. A positive shift in this behavior is observed for surfactant-polymer stabilized emulsion at high pressure conditions. Yield stress is observed to increase with pressure for surfactant-polymer emulsion. In addition, increase in temperature has an adverse effect on the viscosity of emulsion stabilized by surfactant-polymer system. In case of nanoparticle-surfactant-polymer stabilized o/w emulsion system, the viscosity and yield stress are predominantly constant for varying pressure and temperature conditions. The viscosity data for both o/w emulsion systems are fitted by the Herschel-Bulkley model and found to be satisfactory. In general, the study indicates that the Pickering emulsion stabilized by nanoparticle-surfactant-polymer system shows improved and stable rheological properties as compared to conventional emulsion stabilized by surfactant-polymer system indicating their successful application for HPHT environment in upstream oil and gas industry.

  20. Tuning of electrostatic vs. depletion interaction in deciding the phase behavior of nanoparticle-polymer system

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Sugam, E-mail: sugam@barc.gov.in; Aswal, V. K. [Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai 400 085 (India); Kohlbrecher, J. [Laboratory for Neutron Scattering, Paul Scherrer Institut, H-5232 PSI Villigen (Switzerland)

    2015-06-24

    Nanoparticle-polymer system interestingly show a re-entrant phase behavior where charge stabilized silica nanoparticles (phase I) undergo particle clustering (phase II) and then back to individual particles (phase I) as a function of polymer concentration. Such phase behavior arises as a result of dominance of various interactions (i) nanoparticle-nanoparticle electrostatic repulsion (ii) polymer induced attractive depletion between nanoparticles and (iii) polymer-polymer repulsion, at different concentration regimes. Small-angle neutron scattering (SANS) has been used to study the evolution of interaction during this re-entrant phase behavior of nanoparticles by contrast-marching the polymer. The SANS data have been modeled using a two-Yukawa potential accounting for both attractive and repulsive parts of the interaction between nanoparticles. The degree of both of these parts has been separately tuned by varying the polymer concentration and ionic strength of the solution. Both of these parts are found to have long-range nature. At low polymer concentrations, the electrostatic repulsion dominates over the depletion attraction. The magnitude and the range of the depletion interaction increase with the polymer concentration leading to nanoparticle clustering. At higher polymer concentrations, the increased polymer-polymer repulsion reduces the strength of depletion leading to re-entrant phase behavior. The clusters formed under depletion attraction are found to have surface fractal morphology.

  1. Tuning of electrostatic vs. depletion interaction in deciding the phase behavior of nanoparticle-polymer system

    International Nuclear Information System (INIS)

    Kumar, Sugam; Aswal, V. K.; Kohlbrecher, J.

    2015-01-01

    Nanoparticle-polymer system interestingly show a re-entrant phase behavior where charge stabilized silica nanoparticles (phase I) undergo particle clustering (phase II) and then back to individual particles (phase I) as a function of polymer concentration. Such phase behavior arises as a result of dominance of various interactions (i) nanoparticle-nanoparticle electrostatic repulsion (ii) polymer induced attractive depletion between nanoparticles and (iii) polymer-polymer repulsion, at different concentration regimes. Small-angle neutron scattering (SANS) has been used to study the evolution of interaction during this re-entrant phase behavior of nanoparticles by contrast-marching the polymer. The SANS data have been modeled using a two-Yukawa potential accounting for both attractive and repulsive parts of the interaction between nanoparticles. The degree of both of these parts has been separately tuned by varying the polymer concentration and ionic strength of the solution. Both of these parts are found to have long-range nature. At low polymer concentrations, the electrostatic repulsion dominates over the depletion attraction. The magnitude and the range of the depletion interaction increase with the polymer concentration leading to nanoparticle clustering. At higher polymer concentrations, the increased polymer-polymer repulsion reduces the strength of depletion leading to re-entrant phase behavior. The clusters formed under depletion attraction are found to have surface fractal morphology

  2. Deuteron NMR and modelling in solid polymers

    International Nuclear Information System (INIS)

    Hirschinger, J.

    1992-01-01

    Deuteron NMR techniques are described and some recent applications to the study of rotational motions in solid polymers are reviewed. The information content and the domain of applicability of each technique are presented. Ultra-slow motions are studied in real time without any motional model consideration. For very fast motions, computer molecular dynamics simulations are shown to complement the NMR results. Experimental examples deal with the chain motion in the crystalline α-phase of poly(vinylidenefluoride) and nylon 6,6

  3. Control of polymer network topology in semi-batch systems

    Science.gov (United States)

    Wang, Rui; Olsen, Bradley; Johnson, Jeremiah

    Polymer networks invariably possess topological defects: loops of different orders. Since small loops (primary loops and secondary loops) both lower the modulus of network and lead to stress concentration that causes material failure at low deformation, it is desirable to greatly reduce the loop fraction. We have shown that achieving loop fraction close to zero is extremely difficult in the batch process due to the slow decay of loop fraction with the polymer concentration and chain length. Here, we develop a modified kinetic graph theory that can model network formation reactions in semi-batch systems. We demonstrate that the loop fraction is not sensitive to the feeding policy if the reaction volume maintains constant during the network formation. However, if we initially put concentrated solution of small junction molecules in the reactor and continuously adding polymer solutions, the fractions of both primary loop and higher-order loops will be significantly reduced. There is a limiting value (nonzero) of loop fraction that can be achieved in the semi-batch system in condition of extremely slow feeding rate. This minimum loop fraction only depends on a single dimensionless variable, the product of concentration and with single chain pervaded volume, and defines an operating zone in which the loop fraction of polymer networks can be controlled through adjusting the feeding rate of the semi-batch process.

  4. Nanoporous materials modified with biodegradable polymers as models for drug delivery applications

    DEFF Research Database (Denmark)

    Gruber, Mathias F; Schulte, Lars; Ndoni, Sokol

    2013-01-01

    of principle for a system combining these two encapsulation methods and consisting of a nanoporous polymer (NP) with the pores filled with a degradable polymer mixed with a drug model. Rhodamine 6G (R6G) mixed with Poly(l-Lactic Acid) (PLLA) were confined within the 14nm pores of a NP with gyroid morphology...

  5. [New polymer-drug systems based on natural and synthetic polymers].

    Science.gov (United States)

    Racoviţă, Stefania; Vasiliu, Silvia; Foia, Liliana

    2010-01-01

    The great versatility of polymers makes them very useful in the biomedical and pharmaceutical fields. The combination of natural and synthetic polymers leads to new materials with tailored functional properties. The aim of this work consists in the preparation of new drug delivery system based on chitosan (natural polymer) and polybetaines (synthetic polymers), by a simple process, well known in the literature as complex coacervation methods. Also, the adsorption and release studies of two antibiotics as well as the preservation of their bactericidal capacities were performed.

  6. Modeling of ionic transport in solid polymer electrolytes

    International Nuclear Information System (INIS)

    Cheang, P L; Teo, L L; Lim, T L

    2010-01-01

    A Monte Carlo model describing the ionic trans port in solid polyme relectrolyte is developed. Single cation simulation is carried out using hopping rate to study the transport mechanism of a thermally activated ion in solid polymer electrolyte. In our model, the ion is able to hop along a polymer chain and to jump between different chains, surmounting energy barriers that consist of polymer's activation energy and the externally applied electric field. The model is able to trace the motion of ion across polymer electrolyte. The mean hopping distance is calculated based on the available open bond in the next nearest side. Random numbers are used to determine the hopping distances, free flight times, final energy and direction of the cation after successful hop. Drift velocity and energy of cation are simulated in our work. The model is expected to be able to simulate the lithium-polymer battery in future.

  7. Zinc polymer electrolytes in battery systems

    Energy Technology Data Exchange (ETDEWEB)

    Hagan, W.P.; Latham, R.J.; Linford, R.G.; Vickers, S.L. (Dept. of Chemistry, School of Applied Sciences, De Montfort Univ., Leicester (United Kingdom))

    1994-06-01

    We have previously reported results of our studies of structure-conductivity relationships for polymer electrolytes of the form PEO[sub n][center dot]ZnX[sub 2]. In this paper we report the results of investigations of battery systems based on these electrolytes. Results will be presented for OCV and discharge curves for loaded cells of the type: Zn/polymer electrolyte/MnO[sub 2]. We are particularly interested in the speciation between oxidation states of manganese as a function of the degree of cell discharge, and have carried out determinations by chemical methods based on polarography. Preliminary studies indicate the presence of Mn[sup II] in cells discharged at various rates. The discharge times for a series of optimised cells show an exponential decrease with increasing load. This is consistent with a low electrolyte conductivity and less than ideal cathode conductivity, which leads to an increased 'front face' reaction with increasing load

  8. Procurement model for copper and polymer electrical products

    Directory of Open Access Journals (Sweden)

    S. Sremac

    2013-10-01

    Full Text Available Procurement model for copper and polymer electrical products. Electrical cable structure (wire, insulation, filling and mantle is in accordance with the technical specifications of individual cable components in terms of the incorporated materials. Materials used in cable manufacture are copper, aluminum, rubber and polyvinyl chloride. One of the key issues in managing the flow of goods pertains to the timing of procurement. The combination of the two concepts can take advantage of individual strengths of fuzzy logic and neural networks in hybrid systems of homogeneous structure. The model has high practical significance, as, with minor modifications, it can be applied in any enterprise responsible for managing the goods flows.

  9. Non-homogeneous polymer model for wave propagation and its ...

    African Journals Online (AJOL)

    This article concerns certain aspects of four parameter polymer models to study harmonic waves in the non-homogeneous polymer rods of varying density. There are two sections of this paper, in first section, the rheological behaviour of the model is discussed numerically and then it is solved analytically with the help of ...

  10. A numerical model to simulate foams during devolatilization of polymers

    Science.gov (United States)

    Khan, Irfan; Dixit, Ravindra

    2014-11-01

    Customers often demand that the polymers sold in the market have low levels of volatile organic compounds (VOC). Some of the processes for making polymers involve the removal of volatiles to the levels of parts per million (devolatilization). During this step the volatiles are phase separated out of the polymer through a combination of heating and applying lower pressure, creating foam with the pure polymer in liquid phase and the volatiles in the gas phase. The efficiency of the devolatilization process depends on predicting the onset of solvent phase change in the polymer and volatiles mixture accurately based on the processing conditions. However due to the complex relationship between the polymer properties and the processing conditions this is not trivial. In this work, a bubble scale model is coupled with a bulk scale transport model to simulate the processing conditions of polymer devolatilization. The bubble scale model simulates the nucleation and bubble growth based on the classical nucleation theory and the popular ``influence volume approach.'' As such it provides the information of bubble size distribution and number density inside the polymer at any given time and position. This information is used to predict the bulk properties of the polymer and its behavior under the applied processing conditions. Initial results of this modeling approach will be presented.

  11. Structural health monitoring system/method using electroactive polymer fibers

    Science.gov (United States)

    Scott-Carnell, Lisa A. (Inventor); Siochi, Emilie J. (Inventor)

    2013-01-01

    A method for monitoring the structural health of a structure of interest by coupling one or more electroactive polymer fibers to the structure and monitoring the electroactive responses of the polymer fiber(s). Load changes that are experienced by the structure cause changes in the baseline responses of the polymer fiber(s). A system for monitoring the structural health of the structure is also provided.

  12. Viscoelasticity in Polymers: Phenomenological to Molecular Mathematical Modelling

    National Research Council Canada - National Science Library

    Banks, H. T; Luke, N. S

    2006-01-01

    We report on two recent advances in the modelling of viscoelastic polymers: (i) a new constitutive model which combines the virtual stick-slip continuum "molecular-based" ideas of Johnson and Stacer with the Rouse bead chain ideas; (ii...

  13. AMEM-ADL Polymer Migration Estimation Model User's Guide

    Science.gov (United States)

    The user's guide of the Arthur D. Little Polymer Migration Estimation Model (AMEM) provides the information on how the model estimates the fraction of a chemical additive that diffuses through polymeric matrices.

  14. Modeling of Dilute Polymer Solutions in Confined Space

    DEFF Research Database (Denmark)

    Wang, Yanwei

    2009-01-01

    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...... of polymers to control the stability of colloidal suspensions. Furthermore, recent advances in micro- and nano-structuring techniques have led to the production of fluidic channels of critical dinlension approaching the molecular scales, in which areas understanding the effects of spatial restrictions...... 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...

  15. Systems for production of polymer encapsuated solids

    Energy Technology Data Exchange (ETDEWEB)

    Bourcier, William L.; Aines, Roger D.; Baker, Sarah E.; Duoss, Eric B.; Maiti, Amitesh; Roberts, Jeffery J.; Spadaccini, Christopher M.; Stolaroff, Joshuah K.; Vericella, John J.; Lewis, Jennifer A.; Hardin, IV, James O.; Floyd, III, William C.

    2017-11-21

    Encapsulated solids are made by first encapsulating precursor materials in a polymer shell. The precursors are some combination of solids, liquids, gases, and/or gels. The precursors are then transformed into solids by emplacement of the capsule in an environment where gas or fluid transport into or out of the polymer shell causes transformation into solids.

  16. Thiolated polymers as mucoadhesive drug delivery systems.

    Science.gov (United States)

    Duggan, Sarah; Cummins, Wayne; O' Donovan, Orla; Hughes, Helen; Owens, Eleanor

    2017-03-30

    Mucoadhesion is the process of binding a material to the mucosal layer of the body. Utilising both natural and synthetic polymers, mucoadhesive drug delivery is a method of controlled drug release which allows for intimate contact between the polymer and a target tissue. It has the potential to increase bioavailability, decrease potential side effects and offer protection to more sensitive drugs such as proteins and peptide based drugs. The thiolation of polymers has, in the last number of years, come to the fore of mucoadhesive drug delivery, markedly improving mucoadhesion due to the introduction of free thiol groups onto the polymer backbone while also offering a more cohesive polymeric matrix for the slower and more controlled release of drug. This review explores the concept of mucoadhesion and the recent advances in both the polymers and the methods of thiolation used in the synthesis of mucoadhesive drug delivery devices. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Kinetics approach to modeling of polymer additive degradation in lubricants

    Institute of Scientific and Technical Information of China (English)

    llyaI.KUDISH; RubenG.AIRAPETYAN; Michael; J.; COVITCH

    2001-01-01

    A kinetics problem for a degrading polymer additive dissolved in a base stock is studied.The polymer degradation may be caused by the combination of such lubricant flow parameters aspressure, elongational strain rate, and temperature as well as lubricant viscosity and the polymercharacteristics (dissociation energy, bead radius, bond length, etc.). A fundamental approach tothe problem of modeling mechanically induced polymer degradation is proposed. The polymerdegradation is modeled on the basis of a kinetic equation for the density of the statistical distribu-tion of polymer molecules as a function of their molecular weight. The integrodifferential kineticequation for polymer degradation is solved numerically. The effects of pressure, elongational strainrate, temperature, and lubricant viscosity on the process of lubricant degradation are considered.The increase of pressure promotes fast degradation while the increase of temperature delaysdegradation. A comparison of a numerically calculated molecular weight distribution with an ex-perimental one obtained in bench tests showed that they are in excellent agreement with eachother.

  18. Molecular Dynamic Modeling and Simulation for Polymers

    National Research Council Canada - National Science Library

    Harrell, Anthony

    2003-01-01

    ... the mechanical properties of polymers. In particular, the goal was to develop insights as to how a molecular level structure is connected to the bulk properties of materials assuming homogeneity...

  19. Designing Polymer Blends Through Modeling and Simulation

    National Research Council Canada - National Science Library

    Balazs, Anna

    2001-01-01

    ...) of clay sheets in polymer melts. In addition, we determined how the coupling between phase separation and wetting interactions in polymeric composites effects the structural evolution and phase behavior of the material...

  20. Irradiation effects on polymer-model compounds

    International Nuclear Information System (INIS)

    Seguchi, Tadao; Hayakawa, Naohiro; Tamura, Naoyuki; Katsumura, Yosuke; Hayashi, Nariyuki; Tabata, Yoneho

    1991-01-01

    Irradiation effects on n-paraffins and squalane, used as models of polymers, were investigated by product analysis. Four n-paraffins, C 20 H 42 , C 21 H 44 , C 23 H 48 and C 24 H 50 , and squalane (C 30 H 62 ) were γ-irradiated under vacuum in liquid, crystalline and glassy states. The evolved gases were analyzed by gas chromatography and changes in molecular weight were analyzed by liquid chromatography and mass spectroscopy. G-values for crosslinking of n-paraffins were 1.2 for crystalline states (at 25 0 C) and 1.7 for liquid states (at 55 0 C), and showed no difference between odd and even carbon numbers. The G-value of liquid squalane was 1.7; it was 1.3 for the glassy state at low temperature (-77 0 C). Double bonds were common in the crosslinked products, especially after liquid-phase irradiation. The probability of chain scission was estimated as being negligible, though a small number of chain-scission products (which were products of scission at chain-ends or side chains) were observed by gas analysis. (author)

  1. Viscoelastic Flow Modelling for Polymer Flooding

    Science.gov (United States)

    de, Shauvik; Padding, Johan; Peters, Frank; Kuipers, Hans; Multi-scale Modelling of Multi-phase Flows Team

    2015-11-01

    Polymer liquids are used in the oil industry to improve the volumetric sweep and displacement efficiency of oil from a reservoir. Surprisingly, it is not only the viscosity but also the elasticity of the displacing fluid that determine the displacement efficiency. The main aim of our work is to obtain a fundamental understanding of the effect of fluid elasticity, by developing an advanced computer simulation methodology for the flow of non-Newtonian fluids through porous media. We simulate a 3D unsteady viscoelastic flow through a converging diverging geometry of realistic pore dimension using computational fluid dynamics (CFD).The primitive variables velocity, pressure and extra stresses are used in the formulation of models. The viscoelastic stress part is formulated using a FENE-P type of constitutive equation, which can predict both shear and elongational stress properties during this flow. A Direct Numerical Simulation (DNS) approach using Finite volume method (FVM) with staggered grid has been applied. A novel second order Immersed boundary method (IBM) has been incorporated to mimic porous media. The effect of rheological parameters on flow characteristics has also been studied. The simulations provide an insight into 3D flow asymmetry at higher Deborah numbers. Micro-Particle Image Velocimetry experiments are carried out to obtain further insights. These simulations present, for the first time, a detailed computational study of the effects of fluid elasticity on the imbibition of an oil phase.

  2. Development of buccal drug delivery systems based on a thiolated polymer.

    Science.gov (United States)

    Langoth, Nina; Kalbe, Jochen; Bernkop-Schnürch, Andreas

    2003-02-18

    The purpose of the present study was to investigate the benefit of thiolated polymers (thiomers) for the development of buccal drug delivery systems. L-Cysteine was thereby covalently attached to polycarbophil (PCP) mediated by a carbodiimide. The resulting conjugate displayed 140.5+/-8.4 microM thiol groups per gram polymer. Disintegration studies were carried out with tablets based on unmodified polymer and conjugated polymer, respectively. Due to the formation of disulfide bonds within the thiolated polymer, the stability of matrix-tablets based on this polymer was strongly improved. Additionally tensile studies were carried out, which were in good correlation with further results obtained by mucoadhesion studies, using the rotating cylinder method. These results showed that tablets based on thiolated PCP remained attached on freshly excised porcine mucosa 1.8 times longer than the corresponding control. Moreover, the enzyme inhibitory properties of polymers were evaluated as well. Thiolated PCP increased the stability of the synthetic substrate for aminopeptidase N-leu-p-nitroanilide (N-leu-pNA) and the model drug leucin-enkephalin (leu-enkephalin) against enzymatic degradation on buccal mucosa. Due to the use of thiolated polymers also a controlled drug release for leu-enkephalin was guaranteed over a time period for more than 24 h. Results of the present studies suggest that thiolated polymers represent a very useful tool for buccal delivery of peptide drugs.

  3. Molecular model for solubility of gases in flexible polymers

    DEFF Research Database (Denmark)

    Neergaard, Jesper; Hassager, Ole; Szabo, Peter

    1999-01-01

    We propose a model for a priori prediction of the solubility of gases in flexible polymers. The model is based on the concept of ideal solubility of gases in liquids. According to this concept, the mole fraction of gases in liquids is given by Raoult's law with the total pressure and the vapor...... pressure of the gas, where the latter may have to be extrapolated. However, instead of considering each polymer molecule as a rigid structure, we estimate the effective number of degrees of freedom from an equivalent freely jointed bead-rod model for the flexible polymer. In this model, we associate...... the length of the rods with the molecular weight corresponding to a Kuhn step. The model provides a tool for crude estimation of the gas solubility on the basis of only the monomer unit of the polymer and properties of the gas. A comparison with the solubility data for several gases in poly...

  4. Fluctuation-induced long-range interactions in polymer systems

    International Nuclear Information System (INIS)

    Semenov, A N; Obukhov, S P

    2005-01-01

    We discover a new universal long-range interaction between solid objects in polymer media. This polymer-induced interaction is directly opposite to the van der Waals attraction. The predicted effect is deeply related to the classical Casimir interactions, providing a unique example of universal fluctuation-induced repulsion rather than normal attraction. This universal repulsion comes from the subtracted soft fluctuation modes in the ideal counterpart of the real polymer system. The effect can also be interpreted in terms of subtracted (ghost) large-scale polymer loops. We establish the general expressions for the energy of polymer-induced interactions for arbitrary solid particles in a concentrated polymer system. We find that the correlation function of the polymer density in a concentrated solution of very long chains follows a scaling law rather than an exponential decay at large distances. These novel universal long-range interactions can be of importance in various polymer systems. We discuss the ways to observe/simulate these fluctuation-induced effects

  5. Ferritin nanocontainers that self-direct in synthetic polymer systems

    Science.gov (United States)

    Sengonul, Merih C.

    Currently, there are many approaches to introduce functionality into synthetic polymers. Among these, for example, are copolymerization, grafting, and blending methods. However, modifications made by such methods also change the thermodynamics and rheological properties of the polymer system of interest, and each new modification often requires a costly reoptimization of polymer processing. Such a reoptimalization would not be necessary if new functionality could be introduced via a container whose external surface is chemically and physically tuned to interact with the parent polymer. The contents of the container could then be changed without changing other important properties of the parent polymer. In this context this thesis project explores an innovative nanocontainer platform which can be introduced into phase-separating homopolymer blends. Ferritin is a naturally existing nanocontainer that can be used synthetically to package and selectively transport functional moieties to a particular phase that is either in the bulk or on the surface of a homopolymer blend system. The principal focus of this work centers on modifying the surface of wild ferritin to: (1) render modified ferritin soluble in a non-aqueous solvent; and (2) impart it with self-directing properties when exposed to a homopolymer blend surface or incorporated into the bulk of a homopolymer blend. Wild ferritin is water soluble, and this research project successfully modified wild ferritin by grafting either amine-functional poly(ethylene glycol) (PEG) or short-chain alkanes to carbodiimide activated carboxylate groups on ferritin's surface. Such modified ferritin is soluble in dichloromethane (DCM). Modification was confirmed by ion-exchange chromatography, zeta-potential measurements, and electrospray mass spectroscopy. FT-IR was used to quantify the extent of PEGylation of the reaction products through area ratios of the -C-O-C asymmetric stretching vibration of the grafted PEG chains to the

  6. Infrared laser-induced chaos and conformational disorder in a model polymer crystal: Melting vs ablation

    International Nuclear Information System (INIS)

    Sumpter, B.G.; Noid, D.W.; Voth, G.A.; Wunderlich, B.

    1990-01-01

    Molecular dynamics-based computer simulations are presented for the interaction of one and two infrared (IR) laser beams with a model polymer surface. When a single laser beam system is studied over a wide range of intensities, only melting of the polymer, or melting followed by bond dissociation, is observed for up to 100 picoseconds. In contrast, the two-laser simulation results exhibit a marked difference in the energy absorption behavior of the irradiated polymer which, in turn, results in multiple bond dissociations. The results for the one- and two-laser cases studied can be divided into four different classes of physical behavior: (a) the polymer remains in the solid state; (b) the polymer crystal melts; (c) the polymer ablates, but with significant melting (charring); or (d) the polymer ablates with minimal melting. Damage to the model polymer crystal from absorption of energy from either one or two lasers occurs through a mechanism that involves the competition between the absorption of energy and internal energy redistribution. The rate of energy loss from the absorption site(s) relative to the rate of absorption of energy from the radiation field determines rather the polymer melts or ablates (low absorption rates lead to melting or no change and high rates lead to ablation). A sufficiently large rate of energy absorption is only obtainable through the use of two lasers. Two lasers also significantly decrease the total laser intensity required to cause polymer crystal melting. The differences between the one- and two-laser cases are studied by adapting novel signal/subspace techniques to analyze the dynamical changes in the mode spectrum of the polymer as it melts

  7. Small-Angle Neutron Scattering Study of Interplay of Attractive and Repulsive Interactions in Nanoparticle-Polymer System.

    Science.gov (United States)

    Kumar, Sugam; Aswal, Vinod K; Kohlbrecher, Joachim

    2016-02-16

    The phase behavior of nanoparticle (silica)-polymer (polyethylene glycol) system without and with an electrolyte (NaCl) has been studied. It is observed that nanoparticle-polymer system behaves very differently in the presence of electrolyte. In the absence of electrolyte, the nanoparticle-polymer system remains in one-phase even at very high polymer concentrations. On the other hand, a re-entrant phase behavior is found in the presence of electrolyte, where one-phase (individual) system undergoes two-phase (nanoparticle aggregation) and then back to one-phase with increasing polymer concentration. The regime of two-phase system has been tuned by varying the electrolyte concentration. The polymer concentration range over which the two-phase system exists is significantly enhanced with the increase in the electrolyte concentration. These systems have been characterized by small-angle neutron scattering (SANS) experiments of contrast-marching the polymer to the solvent. The data are modeled using a two-Yukawa potential accounting for both attractive and repulsive parts of the interaction between nanoparticles. The phase behavior of nanoparticle-polymer system is explained by interplay of attractive (polymer-induced attractive depletion between nanoparticles) and repulsive (nanoparticle-nanoparticle electrostatic repulsion and polymer-polymer repulsion) interactions present in the system. In the absence of electrolyte, the strong electrostatic repulsion between nanoparticles dominates over the polymer-induced depletion attraction and the nanoparticle system remains in one-phase. With addition of electrolyte, depletion attraction overcomes electrostatic repulsion at some polymer concentration, resulting into nanoparticle aggregation and two-phase system. Further addition of polymer increases the polymer-polymer repulsion which eventually reduces the strength of depletion and hence re-entrant phase behavior. The effects of varying electrolyte concentration on the phase

  8. Polymer dynamics from synthetic polymers to proteins

    Indian Academy of Sciences (India)

    Keywords. Polymer dynamics; reptation; domain dynamics biomolecules. Abstract. Starting from the standard model of polymer motion - the Rouse model - we briefly present some key experimental results on the mesoscopic dynamics of polymer systems. We touch the role of topological confinement as expressed in the ...

  9. Treatment of polymer surfaces in plasma Part I. Kinetic model

    International Nuclear Information System (INIS)

    Tabaliov, N A; Svirachev, D M

    2006-01-01

    The surface tension of the polymer materials depends on functional groups over its surface. As a result from the plasma treatment the kind and concentration of the functional groups can be changed. In the present work, the possible kinetic reactions are defined. They describe the interaction between the plasma and the polymer surface of polyethylene terephthalate (PET). Basing on these reactions, the systems of differential kinetic equations are suggested. The solutions are obtained analytically for the system kinetic equations at defined circumstances

  10. Multiresolution Modeling of Semidilute Polymer Solutions: Coarse-Graining Using Wavelet-Accelerated Monte Carlo

    Directory of Open Access Journals (Sweden)

    Animesh Agarwal

    2017-09-01

    Full Text Available We present a hierarchical coarse-graining framework for modeling semidilute polymer solutions, based on the wavelet-accelerated Monte Carlo (WAMC method. This framework forms a hierarchy of resolutions to model polymers at length scales that cannot be reached via atomistic or even standard coarse-grained simulations. Previously, it was applied to simulations examining the structure of individual polymer chains in solution using up to four levels of coarse-graining (Ismail et al., J. Chem. Phys., 2005, 122, 234901 and Ismail et al., J. Chem. Phys., 2005, 122, 234902, recovering the correct scaling behavior in the coarse-grained representation. In the present work, we extend this method to the study of polymer solutions, deriving the bonded and non-bonded potentials between coarse-grained superatoms from the single chain statistics. A universal scaling function is obtained, which does not require recalculation of the potentials as the scale of the system is changed. To model semi-dilute polymer solutions, we assume the intermolecular potential between the coarse-grained beads to be equal to the non-bonded potential, which is a reasonable approximation in the case of semidilute systems. Thus, a minimal input of microscopic data is required for simulating the systems at the mesoscopic scale. We show that coarse-grained polymer solutions can reproduce results obtained from the more detailed atomistic system without a significant loss of accuracy.

  11. Compositions, methods, and systems comprising fluorous-soluble polymers

    Science.gov (United States)

    Swager, Timothy M.; Lim, Jeewoo; Takeda, Yohei

    2015-10-13

    The present invention generally relates to compositions, methods, and systems comprising polymers that are fluorous-soluble and/or organize at interfaces between a fluorous phase and a non-fluorous phase. In some embodiments, emulsions or films are provided comprising a polymer. The polymers, emulsions, and films can be used in many applications, including for determining, treating, and/or imaging a condition and/or disease in a subject. The polymer may also be incorporated into various optoelectronic device such as photovoltaic cells, organic light-emitting diodes, organic field effect transistors, or the like. In some embodiments, the polymers comprise pi-conjugated backbones, and in some cases, are highly emissive.

  12. Significant role of cationic polymers in drug delivery systems.

    Science.gov (United States)

    Farshbaf, Masoud; Davaran, Soodabeh; Zarebkohan, Amir; Annabi, Nasim; Akbarzadeh, Abolfazl; Salehi, Roya

    2017-11-06

    Cationic polymers are characterized as the macromolecules that possess positive charges, which can be either inherently in the polymer side chains and/or its backbone. Based on their origins, cationic polymers are divided in two category including natural and synthetic, in which the possessed positive charges are as result of primary, secondary or tertiary amine functional groups that could be protonated in particular situations. Cationic polymers have been employed commonly as drug delivery agents due to their superior encapsulation efficacy, enhanced bioavailability, low toxicity and improved release profile. In this paper, we focus on the most prominent examples of cationic polymers which have been revealed to be applicable in drug delivery systems and we also discuss their general synthesis and surface modification methods as well as their controlled release profile in drug delivery.

  13. Miscibility of polymer blends with engineering models

    DEFF Research Database (Denmark)

    Vassilis, Harismiadis; van Bergen, A. R. D.; Goncalves, Ana Saraiva

    1996-01-01

    compared. The van der Waals equation of state was recently shown to accurately correlate and predict vapor-liquid and liquid-liquid equilibria for binary polymer/solvent solutions. In this work, it is demonstrated that it correlates the upper critical solution behavior of polymer blends with excellent...... accuracy using the usual mixing and combining rules and a single temperature- and composition-independent binary interaction parameter. This interaction parameter can be predicted via a generalized expression that uses only the pure component equation-of-state parameters. Using this generalized expression...

  14. Polymer Nanocomposites for Wind Energy Applications: Perspectives and Computational Modeling

    DEFF Research Database (Denmark)

    Mishnaevsky, Leon; Zhou, H.W.; Peng, R.D.

    2013-01-01

    Strength and reliability of wind blades produced from polymer composites are the important preconditions for the successful development of wind energy. One of the ways to increase the reliability and lifetime of polymer matrix composites is the nanoengineering of matrix or fiber/matrix interfaces...... in these composites. The potential and results of nanoclay reinforcements for the improvement of the mechanical properties of polymer composites are investigated using continuum mechanics and micromechanics methods and effective phase model. It is demonstrated that nanoreinforcement allows to increase the stiffness...

  15. Formulation of 3D Printed Tablet for Rapid Drug Release by Fused Deposition Modeling: Screening Polymers for Drug Release, Drug-Polymer Miscibility and Printability.

    Science.gov (United States)

    Solanki, Nayan G; Tahsin, Md; Shah, Ankita V; Serajuddin, Abu T M

    2018-01-01

    The primary aim of this study was to identify pharmaceutically acceptable amorphous polymers for producing 3D printed tablets of a model drug, haloperidol, for rapid release by fused deposition modeling. Filaments for 3D printing were prepared by hot melt extrusion at 150°C with 10% and 20% w/w of haloperidol using Kollidon ® VA64, Kollicoat ® IR, Affinsiol ™ 15 cP, and HPMCAS either individually or as binary blends (Kollidon ® VA64 + Affinisol ™ 15 cP, 1:1; Kollidon ® VA64 + HPMCAS, 1:1). Dissolution of crushed extrudates was studied at pH 2 and 6.8, and formulations demonstrating rapid dissolution rates were then analyzed for drug-polymer, polymer-polymer and drug-polymer-polymer miscibility by film casting. Polymer-polymer (1:1) and drug-polymer-polymer (1:5:5 and 2:5:5) mixtures were found to be miscible. Tablets with 100% and 60% infill were printed using MakerBot printer at 210°C, and dissolution tests of tablets were conducted at pH 2 and 6.8. Extruded filaments of Kollidon ® VA64-Affinisol ™ 15 cP mixtures were flexible and had optimum mechanical strength for 3D printing. Tablets containing 10% drug with 60% and 100% infill showed complete drug release at pH 2 in 45 and 120 min, respectively. Relatively high dissolution rates were also observed at pH 6.8. The 1:1-mixture of Kollidon ® VA64 and Affinisol ™ 15 cP was thus identified as a suitable polymer system for 3D printing and rapid drug release. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  16. Statistical models and NMR analysis of polymer microstructure

    Science.gov (United States)

    Statistical models can be used in conjunction with NMR spectroscopy to study polymer microstructure and polymerization mechanisms. Thus, Bernoullian, Markovian, and enantiomorphic-site models are well known. Many additional models have been formulated over the years for additional situations. Typica...

  17. A model for the dynamics of extensible semiflexible polymers

    NARCIS (Netherlands)

    Barkema, G.T.; van Leeuwen, J.M.J.

    2012-01-01

    We present a model for semiflexible polymers in Hamiltonian formulation which interpolates between a Rouse chain and worm-like chain. Both models are realized as limits for the parameters. The model parameters can also be chosen to match the experimental force-extension curve for double-stranded

  18. Intermolecular energy transfer in binary systems of dye polymers

    Science.gov (United States)

    Liu, Lin-I.; Barashkov, Nikolay N.; Palsule, Chintamani P.; Gangopadhyay, Shubhra; Borst, Walter L.

    2000-10-01

    We present results and physical interpretations for the energy transfer mechanisms in two-component dye polymer systems. The data consist of fluorescence emission spectra and decays. Two dyes were embedded in an epoxypolymer base, and only they participated in the energy transfer. Following pulsed laser excitation of the donor dye, energy transfer took place to the accept dye. The possible transfer paths considered here were nonradiative and radiative transfer. The latter involves two steps, emission and absorption of a photon, and therefore is relatively slow, while nonradiative transfer is a fast single step resulting from direct Coulomb interactions. A predominantly nonradiative transfer is desirable for applications, for instance in wavelength shifters in high energy particle detection. We studied the concentration effects of the dyes on the energy transfer and obtained the relative quantum efficiencies of various wavelength shifters from the fluorescence emission spectra. For low acceptor concentrations, radiative transfer was found to dominate, while nonradiative transfer became dominant at increasing dye concentrations. The fluorescence decays were analyzed with a sum-of-exponentials method and with Förster kinetics. The sum of exponential model yielded mean decay times of the dye polymers useful for a general classification. The decay times decreased as desired with increasing acceptor concentration. The samples, in which nonradiative energy transfer dominated, were analyzed with Förster kinetics. As a result, the natural decay times of the donor and acceptor dyes and the critical radii for nonradiative energy transfer were obtained from a global best fit.

  19. Consistent model reduction of polymer chains in solution in dissipative particle dynamics: Model description

    KAUST Repository

    Moreno Chaparro, 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.

  20. Validating clustering of molecular dynamics simulations using polymer models

    Directory of Open Access Journals (Sweden)

    Phillips Joshua L

    2011-11-01

    Full Text Available Abstract Background Molecular dynamics (MD simulation is a powerful technique for sampling the meta-stable and transitional conformations of proteins and other biomolecules. Computational data clustering has emerged as a useful, automated technique for extracting conformational states from MD simulation data. Despite extensive application, relatively little work has been done to determine if the clustering algorithms are actually extracting useful information. A primary goal of this paper therefore is to provide such an understanding through a detailed analysis of data clustering applied to a series of increasingly complex biopolymer models. Results We develop a novel series of models using basic polymer theory that have intuitive, clearly-defined dynamics and exhibit the essential properties that we are seeking to identify in MD simulations of real biomolecules. We then apply spectral clustering, an algorithm particularly well-suited for clustering polymer structures, to our models and MD simulations of several intrinsically disordered proteins. Clustering results for the polymer models provide clear evidence that the meta-stable and transitional conformations are detected by the algorithm. The results for the polymer models also help guide the analysis of the disordered protein simulations by comparing and contrasting the statistical properties of the extracted clusters. Conclusions We have developed a framework for validating the performance and utility of clustering algorithms for studying molecular biopolymer simulations that utilizes several analytic and dynamic polymer models which exhibit well-behaved dynamics including: meta-stable states, transition states, helical structures, and stochastic dynamics. We show that spectral clustering is robust to anomalies introduced by structural alignment and that different structural classes of intrinsically disordered proteins can be reliably discriminated from the clustering results. To our

  1. Processing, Characterization, and Modeling of Polymer/Clay Nanocomposite Foams

    Science.gov (United States)

    Jo, Choonghee; Naguib, Hani E.

    2007-04-01

    The effects of the material parameters and processing conditions on the foam morphologies, and mechanical properties of polymer/clay nanocomposite foams were studied. Microcellular closed-cell nanocomposite foams were manufactured with poly(methylmethacrylate) (PMMA) and high density polyethylene (HDPE), where the nanoclay loadings of 0.5, 1.0, and 2.0 wt% were used. The effect of clay contents and foaming conditions on the volume expansion ratio, cell size, elastic modulus, tensile strength, and elongation at break were investigated and compared between amorphous and semicrystalline polymers. An elastic modulus model for tensile behavior of foams was proposed by using the micromechanics theory. The model was expressed in terms of microstructural properties of polymer and physical properties of the foams. The tensile experimental data of the foams were compared with those predicted by the theoretical model.

  2. Recent Trends of Polymer Mediated Liposomal Gene Delivery System

    Directory of Open Access Journals (Sweden)

    Shyamal Kumar Kundu

    2014-01-01

    Full Text Available Advancement in the gene delivery system have resulted in clinical successes in gene therapy for patients with several genetic diseases, such as immunodeficiency diseases, X-linked adrenoleukodystrophy (X-ALD blindness, thalassemia, and many more. Among various delivery systems, liposomal mediated gene delivery route is offering great promises for gene therapy. This review is an attempt to depict a portrait about the polymer based liposomal gene delivery systems and their future applications. Herein, we have discussed in detail the characteristics of liposome, importance of polymer for liposome formulation, gene delivery, and future direction of liposome based gene delivery as a whole.

  3. Alternative High Performance Polymers for Ablative Thermal Protection Systems

    Science.gov (United States)

    Boghozian, Tane; Stackpoole, Mairead; Gonzales, Greg

    2015-01-01

    Ablative thermal protection systems are commonly used as protection from the intense heat during re-entry of a space vehicle and have been used successfully on many missions including Stardust and Mars Science Laboratory both of which used PICA - a phenolic based ablator. Historically, phenolic resin has served as the ablative polymer for many TPS systems. However, it has limitations in both processing and properties such as char yield, glass transition temperature and char stability. Therefore alternative high performance polymers are being considered including cyanate ester resin, polyimide, and polybenzoxazine. Thermal and mechanical properties of these resin systems were characterized and compared with phenolic resin.

  4. Percolation Model of Adhesion at Polymer Interfaces

    Science.gov (United States)

    Wool, Richard P.

    1998-03-01

    Adhesion at polymer interfaces is treated as a percolation problem, where an areal density of chains Σ, of length L, contribute a number of entanglements to the interface of thickness X. The fracture energy G, is determined by the fraction of entanglements P, fractured or disentangled in the deformation zone preceding the crack tip, via G ~ P-P_c, where Pc is the percolation threshold, given by Pc = 1- M_e/Mc . For incompatible A/B interfaces reinforced with Σ diblocks or random A-B copolymers of effective length L'(L' ~ 0 for brushes and strongly adsorbed chains), we obtain P ~ ΣL/X, Pc ~ Σ _cL/X, such that G = K(Σ - Σ _c)+ G_o, where K and Go ~ 1 J/m^2 are constants. Note that Log G vs Log Σ will have an apparent slope of about 2, incorrectly suggesting that G ~ Σ ^2. For cohesive fracture, disentanglement dominates at M M*, G = G*[1-M_c/M]. For fatigue crack propagation da/dN, at welding interfaces, we obtain da/dN ~ M-5/2(t/Tr)-5/4, where t is the welding time and Tr is the reptation time. For polymer-solid interfaces, G ~ (X/R)^2. where X is the conformational width of the first layer of chains of random coil size R. The fractal nature of the percolation process is relevant to the fracture mechanism and fractography.

  5. Effects of gel composition on the radiation induced density change in PAG polymer gel dosimeters: a model and experimental investigations

    International Nuclear Information System (INIS)

    Hilts, M; Jirasek, A; Duzenli, C

    2004-01-01

    Due to a density change that occurs in irradiated polyacrylamide gel (PAG), x-ray computed tomography (CT) has emerged as a feasible method of performing polymer gel dosimetry. However, applicability of the technique is currently limited by low sensitivity of the density change to dose. This work investigates the effect of PAG composition on the radiation induced density change and provides direction for future work in improving the sensitivity of CT polymer gel dosimetry. A model is developed that describes the PAG density change (Δρ gel ) as a function of both polymer yield (%P) and an intrinsic density change, per unit polymer yield, that occurs on conversion of monomer to polymer (Δρ polymer ). %P is a function of the fraction of monomer consumed and the weight fraction of monomer in the unirradiated gel (%T). Applying the model to experimental CT and Raman spectroscopic data, two important fundamental properties of the response of PAG density to dose (Δρ gel dose response) are discovered. The first property is that Δρ polymer depends on PAG %C (cross-linking fraction of total monomer) such that low and high %C PAGs exhibit a higher Δρ polymer than do more intermediate %C PAGs. This relationship is opposite to the relationship of polymer yield to %C and is explained by the effect of %C on the type of polymer formed. The second property is that the Δρ gel dose response is linearly dependent on %T. From the model, the inference is that, at least for %T≤12%, monomer consumption and Δρ polymer depend solely on %C. In terms of optimizing CT polymer gel dosimetry for high sensitivity, these results indicate that Δρ polymer can be expected to vary with each polymer gel system and thus should be considered when choosing a polymer gel for CT gel dosimetry. However, Δρ polymer and %P cannot be maximized simultaneously and maximizing %P, by choosing gels with intermediate %C and high %T, is found to have the greatest impact on increasing the

  6. A model for hydrolytic degradation and erosion of biodegradable polymers.

    Science.gov (United States)

    Sevim, Kevser; Pan, Jingzhe

    2018-01-15

    For aliphatic polyesters such as PLAs and PGAs, there is a strong interplay between the hydrolytic degradation and erosion - degradation leads to a critically low molecular weight at which erosion starts. This paper considers the underlying physical and chemical processes of hydrolytic degradation and erosion. Several kinetic mechanisms are incorporated into a mathematical model in an attempt to explain different behaviours of mass loss observed in experiments. In the combined model, autocatalytic hydrolysis, oligomer production and their diffusion are considered together with surface and interior erosion using a set of differential equations and Monte Carlo technique. Oligomer and drug diffusion are modelled using Fick's law with the diffusion coefficients dependent on porosity. The porosity is due to the formation of cavities which are a result of polymer erosion. The model can follow mass loss and drug release up to 100%, which cannot be explained using a simple reaction-diffusion. The model is applied to two case studies from the literature to demonstrate its validity. The case studies show that a critical molecular weight for the onset of polymer erosion and an incubation period for the polymer dissolution are two critical factors that need to be considered when predicting mass loss and drug release. In order to design bioresorbable implants, it is important to have a mathematical model to predict polymer degradation and corresponding drug release. However, very different behaviours of polymer degradation have been observed and there is no single model that can capture all these behaviours. For the first time, the model presented in this paper is capable of capture all these observed behaviours by switching on and off different underlying mechanisms. Unlike the existing reaction-diffusion models, the model presented here can follow the degradation and drug release all the way to the full disappearance of an implant. Crown Copyright © 2017. Published by

  7. Interpenetrating Polymer Networks as Innovative Drug Delivery Systems

    Directory of Open Access Journals (Sweden)

    Alka Lohani

    2014-01-01

    Full Text Available Polymers have always been valuable excipients in conventional dosage forms, also have shown excellent performance into the parenteral arena, and are now capable of offering advanced and sophisticated functions such as controlled drug release and drug targeting. Advances in polymer science have led to the development of several novel drug delivery systems. Interpenetrating polymer networks (IPNs have shown superior performances over the conventional individual polymers and, consequently, the ranges of applications have grown rapidly for such class of materials. The advanced properties of IPNs like swelling capacity, stability, biocompatibility, nontoxicity and biodegradability have attracted considerable attention in pharmaceutical field especially in delivering bioactive molecules to the target site. In the past few years various research reports on the IPN based delivery systems showed that these carriers have emerged as a novel carrier in controlled drug delivery. The present review encompasses IPNs, their types, method of synthesis, factors which affects the morphology of IPNs, extensively studied IPN based drug delivery systems, and some natural polymers widely used for IPNs.

  8. (Liquid + liquid) equilibria of binary systems containing hyperbranched polymer Boltorn (registered) H2004 - Experimental study and modelling in terms of lattice-cluster theory

    International Nuclear Information System (INIS)

    Domanska, Urszula; Paduszynski, Kamil; Zolek-Tryznowska, Zuzanna

    2011-01-01

    (Liquid + liquid) phase equilibria (LLE) of binary mixtures containing hyperbranched polymer Boltorn (registered) H2004 and n-alkanes (n-hexane, n-heptane, n-octane, and n-decane) were studied over the temperature range from about (260 up to 360) K. The polymer is partially miscible with n-alkanes and the solubility decreases with an increase of the chain length of the solvent. Corresponding LLE phase diagrams including spinodal and binodal (liquid + liquid) coexistence curves were calculated in terms of the statistical mechanics - based on the lattice-cluster theory, based only on the upper critical solution temperature, and the polymer chain architecture. The results show semi-qualitative agreement of predicted and experimental equilibrium compositions and temperatures. Boltorn (registered) H2004 reveals complete miscibility in the liquid phase with alcohols (C 1 -C 8 ), aromatic hydrocarbons (benzene, toluene, and thiophene), and ethers (methyl tetra-butyl ether, ethyl tetra-butyl ether, and tetrahydrofurane).

  9. Describing the sorption characteristics of a ternary system of benzene (1) and alcohol (2) in a nonporous polymer membrane (3) by the Flory-Huggins model

    Czech Academy of Sciences Publication Activity Database

    Hovorka, Š.; Randová, A.; Sysel, P.; Brožová, Libuše; Žitka, Jan; Drašar, P.; Bartovská, L.; Storch, Jan; Červenková Šťastná, Lucie; Izák, Pavel

    2015-01-01

    Roč. 55, č. 5 (2015), s. 1187-1195 ISSN 0032-3888 R&D Projects: GA ČR(CZ) GAP106/12/0569 Institutional support: RVO:61389013 ; RVO:67985858 Keywords : membrane * separation * polymer Subject RIV: CD - Macromolecular Chemistry; CI - Industrial Chemistry, Chemical Engineering (UCHP-M) Impact factor: 1.719, year: 2015

  10. Extension of the segment-based Wilson and NRTL models for correlation of excess molar enthalpies of polymer solutions

    International Nuclear Information System (INIS)

    Sadeghi, Rahmat

    2005-01-01

    The polymer Wilson model and the polymer NRTL model have been extended for the representation of the excess enthalpy of multicomponent polymer solutions. Applicability of obtained equations in the correlation of the excess enthalpies of polymer solutions has been examined. It is found that the both models are suitable models in representing the published excess enthalpy data for the tested polymer solutions

  11. Modelling the permeability of polymers: a neural network approach

    NARCIS (Netherlands)

    Wessling, Matthias; Mulder, M.H.V.; Bos, A.; Bos, A.; van der Linden, M.K.T.; Bos, M.; van der Linden, W.E.

    1994-01-01

    In this short communication, the prediction of the permeability of carbon dioxide through different polymers using a neural network is studied. A neural network is a numeric-mathematical construction that can model complex non-linear relationships. Here it is used to correlate the IR spectrum of a

  12. Improving reservoir conformance using gelled polymer systems. Quarterly report, September 25--December 24, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Willhite, G.P.; Buller, C.; McCool, S.; Vossoughi, S.; Michnick, M.

    1994-01-19

    The general objectives are to (1) to identify and develop gelled polymer systems which have potential to improve reservoir conformance of fluid displacement processes, (2) to determine the performance of these systems in bulk and in porous media, and (3) to develop methods to predict the capability of these systems to recover oil from petroleum reservoirs. This work focuses on three types of gel systems -- an aqueous polysaccharide (KUSP1) system that gels as a function of pH, the chromium(III)-polyacrylamide system and the aluminum citrate-polyacrylamide system. Laboratory research is directed at the fundamental understanding of the physics and chemistry of the gelation process in bulk form and in porous media. This knowledge will be used to develop conceptual and mathematical models of the gelation process. Mathematical models will then be extended to predict the performance of gelled polymer treatments in oil reservoirs. Results to date are summarized.

  13. Improving reservoir conformance using gelled polymer systems. Annual report, September 25, 1994--September 24, 1995

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Willhite, G.P.

    1996-05-01

    The objectives of the research program are to (1) identify and develop polymer systems which have potential to improve reservoir conformance of fluid displacement processes, (2) determine the performance of these systems in bulk and in porous media, and (3) develop methods to predict their performance in field applications. The research focused on four types of gel systems -- KUSP1 systems which contain an aqueous polysaccharide designated KUSP1, phenolic-aldehyde systems composed of resorcinol and formaldehyde, colloidal-dispersion systems composed of polyacrylamide and aluminum citrate, and a chromium-based system where polyacrylamide is crosslinked by chromium(III). Gelation behavior of the resorcinol-formaldehyde systems and the KUSP1-borate system was examined. Size distributions of aggregates that form in the polyacrylamide-aluminum colloidal-dispersion gel system were determined. Permeabilities to brine of several rock materials were significantly reduced by gel treatments using the KUSP1 polymer-ester (monoethylphthalate) system, the KUSP1 polymer-boric acid system, and the sulfomethylated resorcinol-formaldehyde system. The KUSP1 polymer-ester system and the sulfomethylated resorcinol-formaldehyde system were also shown to significantly reduce the permeability to super-critical carbon dioxide. A mathematical model was developed to simulate the behavior of a chromium redox-polyacrylamide gel system that is injected through a wellbore into a multi-layer reservoir in which crossflow between layers is allowed. The model describes gelation kinetics and filtration of pre-gel aggregates in the reservoir. Studies using the model demonstrated the effect filtration of gel aggregates has on the placement of gel systems in layered reservoirs.

  14. Printed polymer photonic devices for optical interconnect systems

    Science.gov (United States)

    Subbaraman, Harish; Pan, Zeyu; Zhang, Cheng; Li, Qiaochu; Guo, L. J.; Chen, Ray T.

    2016-03-01

    Polymer photonic device fabrication usually relies on the utilization of clean-room processes, including photolithography, e-beam lithography, reactive ion etching (RIE) and lift-off methods etc, which are expensive and are limited to areas as large as a wafer. Utilizing a novel and a scalable printing process involving ink-jet printing and imprinting, we have fabricated polymer based photonic interconnect components, such as electro-optic polymer based modulators and ring resonator switches, and thermo-optic polymer switch based delay networks and demonstrated their operation. Specifically, a modulator operating at 15MHz and a 2-bit delay network providing up to 35.4ps are presented. In this paper, we also discuss the manufacturing challenges that need to be overcome in order to make roll-to-roll manufacturing practically viable. We discuss a few manufacturing challenges, such as inspection and quality control, registration, and web control, that need to be overcome in order to realize true implementation of roll-to-roll manufacturing of flexible polymer photonic systems. We have overcome these challenges, and currently utilizing our inhouse developed hardware and software tools, <10μm alignment accuracy at a 5m/min is demonstrated. Such a scalable roll-to-roll manufacturing scheme will enable the development of unique optoelectronic devices which can be used in a myriad of different applications, including communication, sensing, medicine, security, imaging, energy, lighting etc.

  15. All-polymer microfluidic systems for droplet based sample analysis

    DEFF Research Database (Denmark)

    Poulsen, Carl Esben

    In this PhD project, I pursued to develop an all-polymer injection moulded microfluidic platform with integrated droplet based single cell interrogation. To allow for a proper ”one device - one experiment” methodology and to ensure a high relevancy to non-academic settings, the systems presented ...

  16. Hybrid energy harvesting systems, using piezoelectric elements and dielectric polymers

    Science.gov (United States)

    Cornogolub, Alexandru; Cottinet, Pierre-Jean; Petit, Lionel

    2016-09-01

    Interest in energy harvesting applications has increased a lot during recent years. This is especially true for systems using electroactive materials like dielectric polymers or piezoelectric materials. Unfortunately, these materials despite multiple advantages, present some important drawbacks. For example, many dielectric polymers demonstrated high energy densities; they are cheap, easy to process and can be easily integrated in many different structures. But at the same time, dielectric polymer generators require an external energy supply which could greatly compromise their autonomy. Piezoelectric systems, on the other hand, are completely autonomous and can be easily miniaturized. However, most common piezoelectric materials present a high rigidity and are brittle by nature and therefore their integration could be difficult. This paper investigates the possibility of using hybrid systems combining piezoelectric elements and dielectric polymers for mechanical energy harvesting applications and it is focused mainly on the problem of electrical energy transfer. Our objective is to show that such systems can be interesting and that it is possible to benefit from the advantages of both materials. For this, different configurations were considered and the problem of their optimization was addressed. The experimental work enabled us to prove the concept and identify the main practical limitations.

  17. Characterization of plasticized PEO-PAM blend polymer electrolyte system

    Science.gov (United States)

    Dave, Gargi; Kanchan, Dinesh

    2017-05-01

    Present study reports characterization studies of NaCF3SO3 based PEO-PAM Blend Polymer Electrolyte (BPE) system with varying amount of EC+PC as plasticizer prepared by solution cast technique. Structural analysis and surface topography have been performed using FTIR and SEM studies. To understand, thermal properties, DSC studies have been undertaken in the present paper

  18. Segment-based Eyring-Wilson viscosity model for polymer solutions

    International Nuclear Information System (INIS)

    Sadeghi, Rahmat

    2005-01-01

    A theory-based model is presented for correlating viscosity of polymer solutions and is based on the segment-based Eyring mixture viscosity model as well as the segment-based Wilson model for describing deviations from ideality. The model has been applied to several polymer solutions and the results show that it is reliable both for correlation and prediction of the viscosity of polymer solutions at different molar masses and temperature of the polymer

  19. Modelling Polymer Deformation and Welding Behaviour during 3D Printing

    Science.gov (United States)

    McIlroy, Claire; Olmsted, Peter

    2016-11-01

    3D printing has the potential to transform manufacturing processes, yet improving the strength of printed parts, to equal that of traditionally-manufactured parts, remains an underlying issue. The most common method, fused deposition modelling, involves melting a thermoplastic, followed by layer-by-layer extrusion of the material to fabricate a three-dimensional object. The key to the ensuring strength at the weld between these layers is successful inter-diffusion. However, as the printed layer cools towards the glass transition temperature, the time available for diffusion is limited. In addition, the extrusion process significantly deforms the polymer micro-structure prior to welding and consequently affects how the polymers "re-entangle" across the weld. We have developed a simple model of the non-isothermal printing process to explore the effects that typical printing conditions and amorphous polymer rheology have on the ultimate weld structure. In particular, we incorporate both the stretch and orientation of the polymer using the Rolie-Poly constitutive equation to examine how the melt flows through the nozzle and is deposited onto the build plate. We then address how this deformation relaxes and contributes to the thickness and structure of the weld. National Institute for Standards and Technology (NIST) and Georgetown University.

  20. Polymer-Based Novel Lung Targeted Delivery Systems.

    Science.gov (United States)

    Elmowafy, Enas; Osman, Rihab; Ishak, Rania A H

    2017-01-01

    Due to its unique features, the respiratory tract had received great attention as a promising non-invasive route for drug administration to achieve both local and systemic effects. Efforts spent to tailor systems able to overcome the lung defence mechanisms and biological barriers are followed in this review. Aerodynamic diameter, morphology, lung deposition and drug release profiles are the main criteria describing the selected new smart lung targeted delivery systems. Novel systems such as nanoparticles, nano-embedded-in microparticles (NEM), small microparticles (MP), large porous particles (LPP), PulmospheresTM and polymeric micelles are used to passively target different areas in the respiratory tract. The most common preparation methods are outlined in the article. Special emphasis was given to the characteristics of the polymers used to fabricate the developed systems. Efforts made to prepare systems using chitosan (CS), alginate (alg), hyaluronic acid (HA), gelatin and albumin as examples of natural polymers and poly lactic-co-glycolic acid (PLGA) and poly(Ɛ-caprolactone) (PCL) as synthetic polymers were compiled. The continuous development and work in the area of lung targeting resulted in the development of engineered smart platforms with the capability to carry small drug molecules, proteins and genes to treat a variety of local and systemic diseases. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  1. Modeling of microencapsulated polymer shell solidification

    International Nuclear Information System (INIS)

    Boone, T.; Cheung, L.; Nelson, D.; Soane, D.; Wilemski, G.; Cook, R.

    1995-01-01

    A finite element transport model has been developed and implemented to complement experimental efforts to improve the quality of ICF target shells produced via controlled-mass microencapsulation. The model provides an efficient means to explore the effect of processing variables on the dynamics of shell dimensions, concentricity, and phase behavior. Comparisons with experiments showed that the model successfully predicts the evolution of wall thinning and core/wall density differences. The model was used to efficiently explore and identify initial wall compositions and processing temperatures which resulted in concentricity improvements from 65 to 99%. The evolution of trace amounts of water entering into the shell wall was also tracked in the simulations. Comparisons with phase envelope estimations from modified UNIFAP calculations suggest that the water content trajectory approaches the two-phase region where vacuole formation via microphase separation may occur

  2. Phenomenological model of nanocluster in polymer matrix

    International Nuclear Information System (INIS)

    Oksengendler, B.L.; Turaeva, N.N.; Azimov, J.; Rashidova, S.Sh.

    2010-01-01

    The phenomenological model of matrix nanoclusters is presented based on the Wood-Saxon potential used in nuclear physics. In frame of this model the following problems have been considered: calculation of width of diffusive layer between nanocluster and matrix, definition of Tamm surface electronic state taking into account the diffusive layer width, receiving the expression for specific magnetic moment of nanoclusters taking into account the interface width. (authors)

  3. Aqueous Colloid + Polymer Depletion System for Confocal Microscopy and Rheology

    Science.gov (United States)

    Park, Nayoung; Umanzor, Esmeralda J.; Conrad, Jacinta C.

    2018-05-01

    We developed a model depletion system with colloidal particles that were refractive index- and density-matched to 80 (w/w)% glycerol in water, and characterized the effect of interparticle interactions on the structure and dynamics of non-equilibrium phases. 2,2,2-trifluoroethyl methacrylate-co-tert-butyl methacrylate copolymer particles were synthesized following Kodger et al. (Sci. Rep. 5, 14635 (2015)). Particles were dispersed in glycerol/water solutions to generate colloidal suspensions with good control over electrostatic interactions and a moderately high background viscosity of 55 mPa-s. To probe the effects of charge screening and depletion attractions on the suspension phase behavior, we added NaCl and polyacrylamide (M_w = 186 kDa) at various concentrations to particle suspensions formulated at volume fractions of phi = 0.05 and 0.3 and imaged the suspensions using confocal microscopy. The particles were nearly hard spheres at a NaCl concentration of 20 mM, but aggregated when the concentration of NaCl was further increased. Changes in the particle structure and dynamics with increasing concentration of the depletant polyacrylamide followed the trends expected from earlier experiments on depletion-driven gelation. Additionally, we measured the viscosity and corrected first normal stress difference of suspensions formulated at phi = 0.4 with and without added polymer. The solvent viscosity was suitable for rheology measurements without the onset of instabilities such as secondary flows or edge fracture. These results validate this system as an alternative to one common model system, suspensions of poly(methyl methacrylate) particles and polystyrene depletants in organic solvents, for investigating phase behavior and flow properties in attractive colloidal suspensions.

  4. Micromechanical Failure Analyses for Finite Element Polymer Modeling

    Energy Technology Data Exchange (ETDEWEB)

    CHAMBERS,ROBERT S.; REEDY JR.,EARL DAVID; LO,CHI S.; ADOLF,DOUGLAS B.; GUESS,TOMMY R.

    2000-11-01

    Polymer stresses around sharp corners and in constrained geometries of encapsulated components can generate cracks leading to system failures. Often, analysts use maximum stresses as a qualitative indicator for evaluating the strength of encapsulated component designs. Although this approach has been useful for making relative comparisons screening prospective design changes, it has not been tied quantitatively to failure. Accurate failure models are needed for analyses to predict whether encapsulated components meet life cycle requirements. With Sandia's recently developed nonlinear viscoelastic polymer models, it has been possible to examine more accurately the local stress-strain distributions in zones of likely failure initiation looking for physically based failure mechanisms and continuum metrics that correlate with the cohesive failure event. This study has identified significant differences between rubbery and glassy failure mechanisms that suggest reasonable alternatives for cohesive failure criteria and metrics. Rubbery failure seems best characterized by the mechanisms of finite extensibility and appears to correlate with maximum strain predictions. Glassy failure, however, seems driven by cavitation and correlates with the maximum hydrostatic tension. Using these metrics, two three-point bending geometries were tested and analyzed under variable loading rates, different temperatures and comparable mesh resolution (i.e., accuracy) to make quantitative failure predictions. The resulting predictions and observations agreed well suggesting the need for additional research. In a separate, additional study, the asymptotically singular stress state found at the tip of a rigid, square inclusion embedded within a thin, linear elastic disk was determined for uniform cooling. The singular stress field is characterized by a single stress intensity factor K{sub a} and the applicable K{sub a} calibration relationship has been determined for both fully bonded and

  5. Real time polymer nanocomposites-based physical nanosensors: theory and modeling

    Science.gov (United States)

    Bellucci, Stefano; Shunin, Yuri; Gopeyenko, Victor; Lobanova-Shunina, Tamara; Burlutskaya, Nataly; Zhukovskii, Yuri

    2017-09-01

    Functionalized carbon nanotubes and graphene nanoribbons nanostructures, serving as the basis for the creation of physical pressure and temperature nanosensors, are considered as tools for ecological monitoring and medical applications. Fragments of nanocarbon inclusions with different morphologies, presenting a disordered system, are regarded as models for nanocomposite materials based on carbon nanoсluster suspension in dielectric polymer environments (e.g., epoxy resins). We have formulated the approach of conductivity calculations for carbon-based polymer nanocomposites using the effective media cluster approach, disordered systems theory and conductivity mechanisms analysis, and obtained the calibration dependences. Providing a proper description of electric responses in nanosensoring systems, we demonstrate the implementation of advanced simulation models suitable for real time control nanosystems. We also consider the prospects and prototypes of the proposed physical nanosensor models providing the comparisons with experimental calibration dependences.

  6. Relaxation model of radiation-induced conductivity in polymers

    Science.gov (United States)

    Zhutayeva, Yu. R.; Khatipov, S. A.

    1999-05-01

    The paper suggests a relaxation model of radiation-induced conductivity (RIC) in polymers. According to the model, the transfer of charges generated in the polymer volume by ionizing radiation takes place with the participation of molecular relaxation processes. The mechanism of electron transport consists in the transfer of the charge directly between traps when they draw close to one another due to the rotation of macromolecule segments. The numerical solutions of the corresponding kinetic equations for different distribution functions Q( τ) of the times of molecular relaxation and for different functions of the probability P( τ, τ') of charge transfer in the `overlapping' regions of the diffusion spheres of the segments are analyzed. The relaxation model provides an explanation of the non-Arrhenius behavior of the RIC temperature dependence, the power dependence of RIC on the dose rate with a power index in the interval 0.5-1.0, the appearance of maxima in the curves of the RIC temporal dependence and their irreversible character in the region of large dose rates (more than 1 Gy/s). The model can be used for interpreting polymer RIC in conditions of kinetic mobility of macromolecules.

  7. Conductive polymers for controlled release and treatment of central nervous system injury

    Science.gov (United States)

    Saigal, Rajiv

    As one of the most devastating forms of neurotrauma, spinal cord injury remains a challenging clinical problem. The difficulties in treatment could potentially be resolved by better technologies for therapeutic delivery. In order to develop new approaches to treating central nervous system injury, this dissertation focused on using electrically-conductive polymers, controlled drug release, and stem cell transplantation. We first sought to enhance the therapeutic potential of neural stem cells by electrically increasing their production of neurotrophic factors (NTFs), important molecules for neuronal cell survival, differentiation, synaptic development, plasticity, and growth. We fabricated a new cell culture device for growing neural stem cells on a biocompatible, conductive polymer. Electrical stimulation via the polymer led to upregulation of NTF production by neural stem cells. This approach has the potential to enhance stem cell function while avoiding the pitfalls of genetic manipulation, possibly making stem cells more viable as a clinical therapy. Seeing the therapeutic potential of conductive polymers, we extended our studies to an in vivo model of spinal cord injury (SCI). Using a novel fabrication and extraction technique, a conductive polymer was fabricated to fit to the characteristic pathology that follows contusive SCI. Assessed via quantitative analysis of MR images, the conductive polymer significantly reduced compression of the injured spinal cord. Further characterizing astroglial and neuronal response of injured host tissue, we found significant neuronal sparing as a result of this treatment. The in vivo studies also demonstrated improved locomotor recovery mediated by a conductive polymer scaffold over a non-conductive control. We next sought to take advantage of conductive polymers for local, electronically-controlled release of drugs. Seeking to overcome reported limitations in drug delivery via polypyrrole, we first embedded drugs in poly

  8. An empirical model for the melt viscosity of polymer blends

    International Nuclear Information System (INIS)

    Dobrescu, V.

    1981-01-01

    On the basis of experimental data for blends of polyethylene with different polymers an empirical equation is proposed to describe the dependence of melt viscosity of blends on component viscosities and composition. The model ensures the continuity of viscosity vs. composition curves throughout the whole composition range, the possibility of obtaining extremum values higher or lower than the viscosities of components, allows the calculation of flow curves of blends from the flow curves of components and their volume fractions. (orig.)

  9. A phenomenological constitutive model for the nonlinear viscoelastic responses of biodegradable polymers

    KAUST Repository

    Khan, Kamran; El Sayed, Tamer S.

    2012-01-01

    We formulate a constitutive framework for biodegradable polymers that accounts for nonlinear viscous behavior under regimes with large deformation. The generalized Maxwell model is used to represent the degraded viscoelastic response of a polymer

  10. Time dependent mechanical modeling for polymers based on network theory

    Energy Technology Data Exchange (ETDEWEB)

    Billon, Noëlle [MINES ParisTech, PSL-Research University, CEMEF – Centre de mise en forme des matériaux, CNRS UMR 7635, CS 10207 rue Claude Daunesse 06904 Sophia Antipolis Cedex (France)

    2016-05-18

    Despite of a lot of attempts during recent years, complex mechanical behaviour of polymers remains incompletely modelled, making industrial design of structures under complex, cyclic and hard loadings not totally reliable. The non linear and dissipative viscoelastic, viscoplastic behaviour of those materials impose to take into account non linear and combined effects of mechanical and thermal phenomena. In this view, a visco-hyperelastic, viscoplastic model, based on network description of the material has recently been developed and designed in a complete thermodynamic frame in order to take into account those main thermo-mechanical couplings. Also, a way to account for coupled effects of strain-rate and temperature was suggested. First experimental validations conducted in the 1D limit on amorphous rubbery like PMMA in isothermal conditions led to pretty goods results. In this paper a more complete formalism is presented and validated in the case of a semi crystalline polymer, a PA66 and a PET (either amorphous or semi crystalline) are used. Protocol for identification of constitutive parameters is described. It is concluded that this new approach should be the route to accurately model thermo-mechanical behaviour of polymers using a reduced number of parameters of some physical meaning.

  11. Forced Translocation of Polymer through Nanopore: Deterministic Model and Simulations

    Science.gov (United States)

    Wang, Yanqian; Panyukov, Sergey; Liao, Qi; Rubinstein, Michael

    2012-02-01

    We propose a new theoretical model of forced translocation of a polymer chain through a nanopore. We assume that DNA translocation at high fields proceeds too fast for the chain to relax, and thus the chain unravels loop by loop in an almost deterministic way. So the distribution of translocation times of a given monomer is controlled by the initial conformation of the chain (the distribution of its loops). Our model predicts the translocation time of each monomer as an explicit function of initial polymer conformation. We refer to this concept as ``fingerprinting''. The width of the translocation time distribution is determined by the loop distribution in initial conformation as well as by the thermal fluctuations of the polymer chain during the translocation process. We show that the conformational broadening δt of translocation times of m-th monomer δtm^1.5 is stronger than the thermal broadening δtm^1.25 The predictions of our deterministic model were verified by extensive molecular dynamics simulations

  12. Polymer models with optimal good-solvent behavior

    Science.gov (United States)

    D'Adamo, Giuseppe; Pelissetto, Andrea

    2017-11-01

    We consider three different continuum polymer models, which all depend on a tunable parameter r that determines the strength of the excluded-volume interactions. In the first model, chains are obtained by concatenating hard spherocylinders of height b and diameter rb (we call them thick self-avoiding chains). The other two models are generalizations of the tangent hard-sphere and of the Kremer-Grest models. We show that for a specific value r* , all models show optimal behavior: asymptotic long-chain behavior is observed for relatively short chains. For r < r* , instead, the behavior can be parametrized by using the two-parameter model, which also describes the thermal crossover close to the θ point. The bonds of the thick self-avoiding chains cannot cross each other, and therefore the model is suited for the investigation of topological properties and for dynamical studies. Such a model also provides a coarse-grained description of double-stranded DNA, so that we can use our results to discuss under which conditions DNA can be considered as a model good-solvent polymer.

  13. Polymer based drug delivery systems for mycobacterial infections.

    Science.gov (United States)

    Pandey, Rajesh; Khuller, G K

    2004-07-01

    In the last decade, polymer based technologies have found wide biomedical applications. Polymers, whether synthetic (e.g. polylactide-co-glycolide or PLG) or natural (e.g. alginate, chitosan etc.), have the property of encapsulating a diverse range of molecules of biological interest and bear distinct therapeutic advantages such as controlled release of drugs, protection against the premature degradation of drugs and reduction in drug toxicity. These are important considerations in the long-duration treatment of chronic infectious diseases such as tuberculosis in which patient non-compliance is the major obstacle to successful chemotherapy. Antitubercular drugs, singly or in combination, have been encapsulated in polymers to provide controlled drug release and the system also offers the flexibility of selecting various routes of administration such as oral, subcutaneous and aerosol. The present review highlights the approaches towards the preparation of polymeric antitubercular drug delivery systems, emphasizing how the route of administration may influence drug bioavailability as well as the chemotherapeutic efficacy. In addition, the pros and cons of the various delivery systems are also discussed.

  14. Models for formation of macroheterogeneous structure in radiation-grafted polymers

    International Nuclear Information System (INIS)

    Babkin, I.Yu.; Burukhin, S.B.; Maksimov, A.F.

    1994-01-01

    Mathematical models, which describe the formation of grafted polymer layer with respect to variations in sorption and kinetic characteristics due to the changes in composition of the modified polymer and grafted polymer under variable boundary conditions were obtained. The influence of heat effect of polymerization reaction on concentration profiles was estimated. Taking into account the nonlinear diffusion kinetics, the conditions providing diffuse and step profiles of concentration of grafted polymer in polymer matrix were revealed. Step concentration profiles were shown to be associated with a nonlinear dependence of diffusion and kinetic parameters of polymerization on the composition of modified polymer. 22 refs.; 11 figs.; 2 tabs

  15. Creep-Fatigue Relationsihps in Electroactive Polymer Systems and Predicted Effects in an Actuator Design

    Science.gov (United States)

    Vinogradov, Aleksandra M.; Ihlefeld, Curtis M.; Henslee, Issac

    2009-01-01

    The paper concerns the time-dependent behavior of electroactive polymers (EAP) and their use in advanced intelligent structures for space exploration. Innovative actuator design for low weight and low power valves required in small plants planned for use on the moon for chemical analysis is discussed. It is shown that in-depth understanding of cyclic loading effects observed through accelerated creep rates due to creep-fatigue interaction in polymers is critical in terms of proper functioning of EAP based actuator devices. In the paper, an overview of experimental results concerning the creep properties and cyclic creep response of a thin film piezoelectric polymer polyvinylidene fluoride (PVDF) is presented. The development of a constitutive creep-fatigue interaction model to predict the durability and service life of electroactive polymers is discussed. A novel method is proposed to predict damage accumulation and fatigue life of polymers under oyclic loading conditions in the presence of creep. The study provides a basis for ongoing research initiatives at the NASA Kennedy Space Center in the pursuit of new technologies using EAP as active elements for lunar exploration systems.

  16. Optical coupling of bare optoelectronic components and flexographically printed polymer waveguides in planar optronic systems

    Science.gov (United States)

    Wang, Yixiao; Wolfer, Tim; Lange, Alex; Overmeyer, Ludger

    2016-05-01

    Large scale, planar optronic systems allowing spatially distributed functionalities can be well used in diverse sensor networks, such as for monitoring the environment by measuring various physical quantities in medicine or aeronautics. In these systems, mechanically flexible and optically transparent polymeric foils, e.g. polymethyl methacrylate (PMMA) and polyethylene terephthalate (PET), are employed as carrier materials. A benefit of using these materials is their low cost. The optical interconnections from light sources to light transmission structures in planar optronic systems occupy a pivotal position for the sensing functions. As light sources, we employ the optoelectronic components, such as edgeemitting laser diodes, in form of bare chips, since their extremely small structures facilitate a high integration compactness and ensure sufficient system flexibility. Flexographically printed polymer optical waveguides are deployed as light guiding structures for short-distance communication in planar optronic systems. Printing processes are utilized for this generation of waveguides to achieve a cost-efficient large scale and high-throughput production. In order to attain a high-functional optronic system for sensing applications, one of the most essential prerequisites is the high coupling efficiency between the light sources and the waveguides. Therefore, in this work, we focus on the multimode polymer waveguide with a parabolic cross-section and investigate its optical coupling with the bare laser diode. We establish the geometrical model of the alignment based on the previous works on the optodic bonding of bare laser diodes and the fabrication process of polymer waveguides with consideration of various parameters, such as the beam profile of the laser diode, the employed polymer properties of the waveguides as well as the carrier substrates etc. Accordingly, the optical coupling of the bare laser diodes and the polymer waveguides was simulated

  17. Improving reservoir conformance using gelled polymer systems. Final report, September 25, 1992--July 31, 1996

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Willhite, G.P.; Buller, C.; McCool, S.; Vossoughi, S.; Michnick, M.

    1997-06-01

    The objectives of the research program were to (1) identify and develop polymer systems which have potential to improve reservoir conformance of fluid displacement processes, (2) determine the performance of these systems in bulk and in porous media, and (3) develop methods to predict their performance in field applications. The research focused on four types of gel systems--KUSP1 systems that contain an aqueous polysaccharide designated KUSP1, phenolic-aldehyde systems composed of resorcinol and formaldehyde, colloidal-dispersion systems composed of polyacrylamide and aluminum citrate, and a chromium-based system where polyacrylamide is crosslinked by chromium(III). Gelation behavior of the resorcinol-formaldehyde systems and the KUSP1-borate system was examined. Size distributions of aggregates that form in the polyacrylamide-aluminum colloidal-dispersion gel system were determined. Permeabilities to brine of several rock materials were significantly reduced by gel treatments using the KUSP1 polymer-ester (monoethyl phthalate) system, the KUSP1 polymer-boric acid system, and the sulfomethylated resorcinol-formaldehyde system were also shown to significantly reduce the permeability to supercritical carbon dioxide. A mathematical model was developed to simulate the behavior of a chromium redox-polyacrylamide gel system that is injected through a wellbore into a multi-layer reservoir in which crossflow between layers is allowed. The model describes gelation kinetics and filtration of pre-gel aggregates in the reservoir. Studies using the model demonstrated the effect filtration of gel aggregates has on the placement of gel systems in layered reservoirs.

  18. Droplet size in flow: Theoretical model and application to polymer blends

    Science.gov (United States)

    Fortelný, Ivan; Jůza, Josef

    2017-05-01

    The paper is focused on prediction of the average droplet radius, R, in flowing polymer blends where the droplet size is determined by dynamic equilibrium between the droplet breakup and coalescence. Expressions for the droplet breakup frequency in systems with low and high contents of the dispersed phase are derived using available theoretical and experimental results for model blends. Dependences of the coalescence probability, Pc, on system parameters, following from recent theories, is considered and approximate equation for Pc in a system with a low polydispersity in the droplet size is proposed. Equations for R in systems with low and high contents of the dispersed phase are derived. Combination of these equations predicts realistic dependence of R on the volume fraction of dispersed droplets, φ. Theoretical prediction of the ratio of R to the critical droplet radius at breakup agrees fairly well with experimental values for steadily mixed polymer blends.

  19. From precision polymers to complex materials and systems

    Science.gov (United States)

    Lutz, Jean-François; Lehn, Jean-Marie; Meijer, E. W.; Matyjaszewski, Krzysztof

    2016-05-01

    Complex chemical systems, such as living biological matter, are highly organized structures based on discrete molecules in constant dynamic interactions. These natural materials can evolve and adapt to their environment. By contrast, man-made materials exhibit simpler properties. In this Review, we highlight that most of the necessary elements for the development of more complex synthetic matter are available today. Using modern strategies, such as controlled radical polymerizations, supramolecular polymerizations or stepwise synthesis, polymers with precisely controlled molecular structures can be synthesized. Moreover, such tailored polymers can be folded or self-assembled into defined nanoscale morphologies. These self-organized macromolecular objects can be at thermal equilibrium or can be driven out of equilibrium. Recently, in the latter case, interesting dynamic materials have been developed. However, this is just a start, and more complex adaptive materials are anticipated.

  20. Investigations of model polymers: Dynamics of melts and statics of a long chain in a dilute melt of shorter chains

    International Nuclear Information System (INIS)

    Bishop, M.; Ceperley, D.; Frisch, H.L.; Kalos, M.H.

    1982-01-01

    We report additional results on a simple model of polymers, namely the diffusion in concentrated polymer systems and the static properties of one long chain in a dilute melt of shorter chains. It is found, for the polymer sizes and time scales amenable to our computer calculations, that there is as yet no evidence for a ''reptation'' regime in a melt. There is some indication of reptation in the case of a single chain moving through fixed obstacles. No statistically significant effect of the change, from excluded volume behavior of the long chain to ideal behavior as the shorter chains grow, is observed

  1. Fabrication and modelling of injection moulded all-polymer capillary microvalves for passive microfluidic control

    DEFF Research Database (Denmark)

    Kistrup, Kasper; Poulsen, Carl Esben; Østergaard, Peter Friis

    2014-01-01

    Rapid prototyping is desirable when developing products. One example of such a product is all-polymer, passive flow controlled lab-on-a-chip systems that are preferential when developing low-cost disposable chips for point-of-care use. In this paper we investigate the following aspects of going...... from rapid prototyping to pilot (mass) production. (1) Fabrication of an all-polymer microfluidic system using a rapid prototyped master insert for injection moulding and ultrasonic welding, including a systematic experimental characterisation of chip featured geometric capillary microvalve test...... structures. (2) Numerical modelling of the microvalve burst pressures. Numerical modelling of burst pressures is challenging due to its non-equilibrium nature. We have implemented and tested the level-set method modified with a damped driving term and show that the introduction of the damping term leads...

  2. Drying of semicrystalline polymers: Mathematical modeling and experimental characterization of poly(vinyl alcohol) films

    OpenAIRE

    Wong, Sim-Siong; Altınkaya, Sacide; Mallapragada, Surya K.

    2004-01-01

    A mathematical model was developed to predict the drying mechanism of semicrystalline polymers involving multiple solvents. Since drying of semicrystalline polymers can be accompanied by changes in polymer degree of crystallinity, the model integrates crystallization kinetics and the Vrentas-Duda diffusion model to provide a better understanding of the mechanism. The model considers the effect of external conditions such as temperature, film shrinkage and diffusion and evaporation of multiple...

  3. Demonstration of a multiscale modeling technique: prediction of the stress–strain response of light activated shape memory polymers

    International Nuclear Information System (INIS)

    Beblo, Richard V; Weiland, Lisa Mauck

    2010-01-01

    Presented is a multiscale modeling method applied to light activated shape memory polymers (LASMPs). LASMPs are a new class of shape memory polymer (SMPs) being developed for adaptive structures applications where a thermal stimulus is undesirable. LASMP developmental emphasis is placed on optical manipulation of Young's modulus. A multiscale modeling approach is employed to anticipate the soft and hard state moduli solely on the basis of a proposed molecular formulation. Employing such a model shows promise for expediting down-selection of favorable formulations for synthesis and testing, and subsequently accelerating LASMP development. An empirical adaptation of the model is also presented which has applications in system design once a formulation has been identified. The approach employs rotational isomeric state theory to build a molecular scale model of the polymer chain yielding a list of distances between the predicted crosslink locations, or r-values. The r-values are then fitted with Johnson probability density functions and used with Boltzmann statistical mechanics to predict stress as a function of the strain of the phantom polymer network. Empirical adaptation for design adds junction constraint theory to the modeling process. Junction constraint theory includes the effects of neighboring chain interactions. Empirical fitting results in numerically accurate Young's modulus predictions. The system is modular in nature and thus lends itself well to being adapted to other polymer systems and development applications

  4. Understanding diffusion of intrinsically disordered proteins in polymer solutions: A disorder plus collapse model

    Directory of Open Access Journals (Sweden)

    Juan Wang

    2017-11-01

    Full Text Available Understanding diffusion of intrinsically disordered proteins (IDPs under crowded environments is of ubiquitous importance to modelling related dynamics in biological systems. In the present work, we proposed a theoretical framework to study the diffusion behavior of IDPs in polymer solutions. IDP is modeled as an ensemble of particles with a wide range of gyration radius subject to Flory-Fisk distribution, where the collapse effect which leads to the shrink of IDP due to polymer crowding is included. The diffusion coefficient of IDP is calculated as the average, denoted by 〈D〉, over the values of the particle samples. By properly incorporating the scaling relations for diffusion coefficient of nanoparticle (NP in polymer solutions, we are able to evaluate 〈D〉 straightforwardly and reveal the disorder and collapse effects on IDP’s diffusion in an explicit manner. Particular attentions are paid on comparison between the diffusion coefficient of an IDP and that of a NP. Results demonstrate that both disorder and collapse can enhance IDP diffusion rate. Our analysis shows that the crossover behavior reported by experiments can be actually a general phenomenon, namely, while a NP with smaller size than that of an IDP diffuses faster in simple solutions, the IDP may become the faster one under crowded conditions. We apply our theory to analyze the diffusion of several types of IDP in a few different polymer solutions. Good agreements between the theoretical results and the experimental data are obtained.

  5. Modeling and control of a self-sensing polymer metal composite actuator

    International Nuclear Information System (INIS)

    Nam, Doan Ngoc Chi; Ahn, Kyoung Kwan

    2014-01-01

    An ion polymer metal composite (IPMC) is an electro-active polymer (EAP) that bends in response to a small applied electrical field as a result of mobility of cations in the polymer network and vice versa. One drawback in the use of an IPMC is the sensing problem for such a small size actuator. The aim of this paper is to develop a physical model for a self-sensing IPMC actuator and to verify its applicability for practical position control. Firstly, ion dynamics inside a polymer membrane is investigated with an asymmetric solution in the presence of distributed surface resistance. Based on this analysis, a modified equivalent circuit and a simple configuration to realize the self-sensing IPMC actuator are proposed. Mathematical modelling and experimental evaluation indicate that the bending curvature can be obtained accurately using several feedback voltage signals along with the IPMC length. Finally, the controllability of the developed self-sensing IPMC actuator is investigated using a robust position control. Experimental results prove that the self-sensing characteristics can be applied in engineering control problems to provide a more convenient sensing method for IPMC actuating systems. (paper)

  6. Computer-aided polymer design using group contribution plus property models

    DEFF Research Database (Denmark)

    Satyanarayana, Kavitha Chelakara; Abildskov, Jens; Gani, Rafiqul

    2009-01-01

    . Polymer repeat unit property prediction models are required to calculate the properties of the generated repeat units. A systematic framework incorporating recently developed group contribution plus (GC(+)) models and an extended CAMD technique to include design of polymer repeat units is highlighted...... in this paper. The advantage of a GC(+) model in CAMD applications is that a very large number of polymer structures can be considered even though some of the group parameters may not be available. A number of case studies involving different polymer design problems have been solved through the developed......The preliminary step for polymer product design is to identify the basic repeat unit structure of the polymer that matches the target properties. Computer-aided molecular design (CAMD) approaches can be applied for generating the polymer repeat unit structures that match the required constraints...

  7. Directed walk models of adsorbing semi-flexible polymers subject to an elongational force

    Energy Technology Data Exchange (ETDEWEB)

    Iliev, G K [Department of Mathematics and Statistics, University of Melbourne, Parkville (Australia); Orlandini, E [Dipartimento di Fisica, CNISM, Universita di Padova, Via Marzolo 8, 35131 Padova (Italy); Whittington, S G [Department of Chemistry, University of Toronto, Toronto (Canada)

    2010-08-06

    We consider several directed path models of semi-flexible polymers. In each model we associate an energy parameter for every pair of adjacent collinear steps, allowing for a model of a polymer with tunable stiffness. We introduce weightings for vertices or edges in a distinguished plane to model the interaction of a semi-flexible polymer with an impenetrable surface. We also investigate the desorption of such a polymer under the influence of an elongational force and study the order of the associated phase transitions. Using a simple low-temperature theory, we approximate and study the ground state behaviour of the models.

  8. Improving reservoir conformance using gelled polymer systems. Eleventh quarterly report, April 1, 1995--June 30, 1995

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Willhite, G.P.; Buller, C.; McCool, S.; Vossoughi, S.; Michnick, M.

    1995-07-24

    The general objectives are to (1) to identify and develop gelled polymer systems which have potential to improve reservoir conformance of fluid displacement processes, (2) to determine the performance of these systems in bulk and in porous media, and (3) to develop methods to predict the capability of these systems to recover oil from petroleum reservoirs. This work focuses on three types of gel systems -- an aqueous polysaccharide (KUSP1) system that gels as a function of pH, the chromium(III)-polyacrylamide system and the aluminum citrate-polyacrylamide system. Laboratory research is directed at the fundamental understanding of the physics and chemistry of the gelation process in bulk form and in porous media. This knowledge will be used to develop conceptual and mathematical models of the gelation process. Mathematical models will then be extended to predict the performance of gelled polymer treatments in oil reservoirs. Technical progress is described for the following tasks: physical and chemical characterization of gel systems; mechanisms of in situ gelation; and mathematical modelling of the gel systems.

  9. A heat mathematical model of polymer composite cylinder during microwave treatment

    Directory of Open Access Journals (Sweden)

    S. V. Reznik

    2014-01-01

    Full Text Available Traditional technologies of producing epoxy based polymer composite materials (PCM require a long-term and energy consuming thermal processing. Microwave heating could be used as an alternative technology for heating work pieces made of PCM; this would allow to reduce treatment time and energy consumption significantly. A mathematical model of temperature distribution inside a cylindrical composite system during microwave treatment was investigated in this paper. The model includes a hollow PCM cylinder made of an epoxy binder and carbon fibers and a solid cylindrical mandrel. Theoretical and experimental results on the temperature state of the system were analyzed and discussed.

  10. Integrated polymer waveguides for absorbance detection in chemical analysis systems

    DEFF Research Database (Denmark)

    Mogensen, Klaus Bo; El-Ali, Jamil; Wolff, Anders

    2003-01-01

    A chemical analysis system for absorbance detection with integrated polymer waveguides is reported for the first time. The fabrication procedure relies on structuring of a single layer of the photoresist SU-8, so both the microfluidic channel network and the optical components, which include planar....... The emphasis of this paper is on the signal-to-noise ratio of the detection and its relation to the sensitivity. Two absorbance cells with an optical path length of 100 μm and 1000 μm were characterized and compared in terms of sensitivity, limit of detection and effective path length for measurements...

  11. Entropy in the classical and quantum polymer black hole models

    International Nuclear Information System (INIS)

    Livine, Etera R; Terno, Daniel R

    2012-01-01

    We investigate the entropy counting for black hole horizons in loop quantum gravity (LQG). We argue that the space of 3D closed polyhedra is the classical counterpart of the space of SU(2) intertwiners at the quantum level. Then computing the entropy for the boundary horizon amounts to calculating the density of polyhedra or the number of intertwiners at fixed total area. Following the previous work (Bianchi 2011 Class. Quantum Grav. 28 114006) we dub these the classical and quantum polymer models for isolated horizons in LQG. We provide exact micro-canonical calculations for both models and we show that the classical counting of polyhedra accounts for most of the features of the intertwiner counting (leading order entropy and log-correction), thus providing us with a simpler model to further investigate correlations and dynamics. To illustrate this, we also produce an exact formula for the dimension of the intertwiner space as a density of ‘almost-closed polyhedra’. (paper)

  12. A model for ionic polymer metal composites as sensors

    Science.gov (United States)

    Bonomo, C.; Fortuna, L.; Giannone, P.; Graziani, S.; Strazzeri, S.

    2006-06-01

    This paper introduces a comprehensive model of sensors based on ionic polymer metal composites (IPMCs) working in air. Significant quantities ruling the sensing properties of IPMC-based sensors are taken into account and the dynamics of the sensors are modelled. A large amount of experimental evidence is given for the excellent agreement between estimations obtained using the proposed model and the observed signals. Furthermore, the effect of sensor scaling is investigated, giving interesting support to the activities involved in the design of sensing devices based on these novel materials. We observed that the need for a wet environment is not a key issue for IPMC-based sensors to work well. This fact allows us to put IPMC-based sensors in a totally different light to the corresponding actuators, showing that sensors do not suffer from the same drawbacks.

  13. Discovery of Antibiotics-derived Polymers for Gene Delivery using Combinatorial Synthesis and Cheminformatics Modeling

    Science.gov (United States)

    Potta, Thrimoorthy; Zhen, Zhuo; Grandhi, Taraka Sai Pavan; Christensen, Matthew D.; Ramos, James; Breneman, Curt M.; Rege, Kaushal

    2014-01-01

    We describe the combinatorial synthesis and cheminformatics modeling of aminoglycoside antibiotics-derived polymers for transgene delivery and expression. Fifty-six polymers were synthesized by polymerizing aminoglycosides with diglycidyl ether cross-linkers. Parallel screening resulted in identification of several lead polymers that resulted in high transgene expression levels in cells. The role of polymer physicochemical properties in determining efficacy of transgene expression was investigated using Quantitative Structure-Activity Relationship (QSAR) cheminformatics models based on Support Vector Regression (SVR) and ‘building block’ polymer structures. The QSAR model exhibited high predictive ability, and investigation of descriptors in the model, using molecular visualization and correlation plots, indicated that physicochemical attributes related to both, aminoglycosides and diglycidyl ethers facilitated transgene expression. This work synergistically combines combinatorial synthesis and parallel screening with cheminformatics-based QSAR models for discovery and physicochemical elucidation of effective antibiotics-derived polymers for transgene delivery in medicine and biotechnology. PMID:24331709

  14. Challenges of the Modeling Methods for Investigating the Interaction between the CNT and the Surrounding Polymer

    Directory of Open Access Journals (Sweden)

    Roham Rafiee

    2013-01-01

    Full Text Available The interaction between the carbon nanotubes (CNT and the polymer is a key factor for determining the mechanical, thermal, and electrical properties of the CNT/polymer nanocomposite. However, it is difficult to measure experimentally the interfacial bonding properties between the CNT and the surrounding polymer. Therefore, computational modeling is used to predict the interaction properties. Different scale models, from atomistic to continuum, are critically reviewed addressing the advantages, the disadvantages, and the future challenges. Various methods of improvement for measuring the interaction properties are described. Finally, it is concluded that the semicontinuum modeling may be the best candidate for modeling the interaction between the CNT and the polymer.

  15. Thermodynamic Description of Liquid-Liquid Equilibria in Systems 1-Ethyl-3-methylimidazolium Ethylsulfate + C7-Hydrocarbons by Polymer-Solution Models

    Czech Academy of Sciences Publication Activity Database

    Bendová, Magdalena; Wagner, Zdeněk

    2009-01-01

    Roč. 284, č. 2 (2009), s. 80-85 ISSN 0378-3812 R&D Projects: GA ČR GA104/07/0444; GA ČR GP104/06/P066; GA AV ČR IAA400720710 Institutional research plan: CEZ:AV0Z40720504 Keywords : liquid-liquid equilibrium * ionic liquids * thermodynamic model Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.857, year: 2009

  16. Scaling in multichain polymer systems in two and three dimensions

    International Nuclear Information System (INIS)

    Bishop, M.; Kalos, M.H.; Sokal, A.D.; Frisch, H.L.

    1983-01-01

    The mean dimensions of multichain polymer systems are predicted to follow a scaling relation with scaling variable X = l/sup d/ν-1 rho, where l is the number of statistical segments on the chain, rho is the segment density, d is the dimension, and ν is the critical exponent for the mean dimensions of an isolated polymer chain. The scaling laws are 2 >roughly-equalA(X) l/sup 2nu/ for l→ infinity with X bounded, and 2 >roughly-equalB(rho) l for l→ infinity with X → infinity. Moreover, the critical amplitudes behave as A(X)approx.X/sup()( -2nu-1/d/ν-1) as X → infinity and B(rho)approx.rho/sup()( -2nu-1/d/ν-1) as rho → 0. Simulations of both continuum and lattice systems are reanalyzed and found to be consistent with these scaling relations. Previous naive use of short-chain data has led to misleading results

  17. Modeling Percolation in Polymer Nanocomposites by Stochastic Microstructuring

    Directory of Open Access Journals (Sweden)

    Matias Soto

    2015-09-01

    Full Text Available A methodology was developed for the prediction of the electrical properties of carbon nanotube-polymer nanocomposites via Monte Carlo computational simulations. A two-dimensional microstructure that takes into account waviness, fiber length and diameter distributions is used as a representative volume element. Fiber interactions in the microstructure are identified and then modeled as an equivalent electrical circuit, assuming one-third metallic and two-thirds semiconductor nanotubes. Tunneling paths in the microstructure are also modeled as electrical resistors, and crossing fibers are accounted for by assuming a contact resistance associated with them. The equivalent resistor network is then converted into a set of linear equations using nodal voltage analysis, which is then solved by means of the Gauss–Jordan elimination method. Nodal voltages are obtained for the microstructure, from which the percolation probability, equivalent resistance and conductivity are calculated. Percolation probability curves and electrical conductivity values are compared to those found in the literature.

  18. THE DEVELOPMENT OF THE CALCULATION MODEL FOR THE ESTIMATION OF THE BOILING POINT OF THE ­POLYMER-SOLVENT MIXTURES

    Directory of Open Access Journals (Sweden)

    Matseevich Andrey Vyacheslavovich

    2018-03-01

    Full Text Available Subject of the study: one of the most promising areas in the field of polymer physics is the development of the calculation models allowing to quantify the properties of polymers. This work provides the calculation model for the quantitative assessment of the boiling point of solutions of polymer in the organic solvent. The model is based on the chemical structure of polymer and solvent. For the components the Hildebrand solubility parameter, the latent heat of vaporization and the boiling point of the solvent are calculated. Objectives: to generate the equation connecting the boiling point of polymer solution in the chosen solvent with the boiling point of the pure solvent, the molecular weights of the repeating unit of polymer and the molecule of solvent, the weight fraction of polymer in solution, the Hildebrand solubility parameter and the molar volume of the repeating unit of polymer. Materials and methods: the Hildebrand solubility parameter of solutions and polymers and also the van der Waals volume were calculated using the method of A.A. Askadsky; the enthalpy of vaporization of the solvent at the boiling point was expressed through the Hildebrand solubility parameter. The dependence of the enthalpy of vaporization from the temperature was taken into consideration. The computerization of the method was implemented, according to which all calculations are performed automatically after entering the information on the chemical structure of polymer and solvent into the computer. Results: the equation connecting the ebulliometric constant of the low concentration polymer solution with the boiling point of the solvent, the molar volume of the solvent and the Hildebrand parameter was generated. The results of the analysis were checked with regard to the system of polystyrene/toluene; the possibility of practical application of the offered method was shown. Conclusions: the method presented in this article allows to predict the ebulliometric

  19. Implicit implementation and consistent tangent modulus of a viscoplastic model for polymers

    OpenAIRE

    ACHOUR-RENAULT, Nadia; CHATZIGEORGIOU, George; MERAGHNI, Fodil; CHEMISKY, Yves; FITOUSSI, Joseph

    2015-01-01

    In this work, the phenomenological viscoplastic DSGZ model[Duan, Y., Saigal, A., Greif, R., Zimmerman, M. A., 2001. A Uniform Phenomenological Constitutive Model for Glassy and Semicrystalline Polymers. Polymer Engineering and Science 41 (8), 1322-1328], developed for glassy or semi-crystalline polymers, is numerically implemented in a three dimensional framework, following an implicit formulation. The computational methodology is based on the radial return mapping algorithm. This implicit fo...

  20. Towards a portable microchip system with integrated thermal control and polymer waveguides for real-time PCR

    DEFF Research Database (Denmark)

    Wang, Zhenyu; Sekulovic, Andrea; Kutter, Jörg Peter

    2006-01-01

    A novel real-time PCR microchip platform with integrated thermal system and polymer waveguides has been developed. The integrated polymer optical system for real-time monitoring of PCR was fabricated in the same SU-8 layer as the PCR chamber, without additional masking steps. Two suitable DNA...... binding dyes, SYTOX Orange and TO-PRO-3, were selected and tested for the real-time PCR processes. As a model, cadF gene of Campylobacter jejuni has been amplified on the microchip. Using the integrated optical system of the real-time PCR microchip, the measured cycle threshold values of the real-time PCR...

  1. Theory of optical transitions in conjugated polymers. I. Ideal systems.

    Science.gov (United States)

    Barford, William; Marcus, Max

    2014-10-28

    We describe a theory of linear optical transitions in conjugated polymers. The theory is based on three assumptions. The first is that the low-lying excited states of conjugated polymers are Frenkel excitons coupled to local normal modes, described by the Frenkel-Holstein model. Second, we assume that the relevant parameter regime is ℏω ≪ J, i.e., the adiabatic regime, and thus the Born-Oppenheimer factorization of the electronic and nuclear degrees of freedom is generally applicable. Finally, we assume that the Condon approximation is valid, i.e., the exciton-polaron wavefunction is essentially independent of the normal modes. Using these assumptions we derive an expression for an effective Huang-Rhys parameter for a chain (or chromophore) of N monomers, given by S(N) = S(1)/IPR, where S(1) is the Huang-Rhys parameter for an isolated monomer. IPR is the inverse participation ratio, defined by IPR = (∑(n)|Ψ(n)|(4))(-1), where Ψ(n) is the exciton center-of-mass wavefunction. Since the IPR is proportional to the spread of the exciton center-of-mass wavefunction, this is a key result, as it shows that S(N) decreases with chain length. As in molecules, in a polymer S(N) has two interpretations. First, ℏωS(N) is the relaxation energy of an excited state caused by its coupling to the normal modes. Second, S(N) appears in the definition of an effective Franck-Condon factor, F(0v)(N) = S(N)(v)exp ( - S(N))/v! for the vth vibronic manifold. We show that the 0 - 0 and 0 - 1 optical intensities are proportional to F00(N) and F01(N), respectively, and thus the ratio of the 0 - 1 to 0 - 0 absorption and emission intensities are proportional to S(N). These analytical results are checked by extensive DMRG calculations and found to be generally valid, particularly for emission. However, for large chain lengths higher-lying quasimomentum exciton states become degenerate with the lowest vibrational excitation of the lowest exciton state. When this happens there is

  2. Improving reservoir conformance using gelled polymer systems. Annual report, September 25, 1992--September 24, 1993

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Willhite, G.P.

    1994-08-01

    The general objectives of the research program are to (1) identify and develop gelled polymer systems which have potential to improve reservoir conformance of fluid displacement processes, (2) determine the performance of these systems in bulk and in porous media, and (3) develop methods to predict their performance in field applications. The research focuses on three types of gel systems-an aqueous polysaccharide (KUSPI) that gels as a function of pH, polyacrylamide or xanthan crosslinked by CR(III) and a polyacrylamide-aluminum citrate system. Work to date has focused primarily on development of a database, selection of systems, and work to characterize the gel/polymer physical properties and kinetics. The use of ester hydrolysis to control the rate of pH change of a gel system has been investigated and this approach to gel-time control shows promise. Extensive kinetic data were taken on the uptake of CR(III) oligomers by polyacrylamide. A model was developed which describes very well the monomer uptake rates. The model described the dimer uptake data less well and the trimer uptake data poorly. Studies of the flow and gelation in rock materials have been initiated. A mathematical model of rock-fluid interaction during flow of high pH solutions has been developed.

  3. A multi-species exchange model for fully fluctuating polymer field theory simulations.

    Science.gov (United States)

    Düchs, Dominik; Delaney, Kris T; Fredrickson, Glenn H

    2014-11-07

    Field-theoretic models have been used extensively to study the phase behavior of inhomogeneous polymer melts and solutions, both in self-consistent mean-field calculations and in numerical simulations of the full theory capturing composition fluctuations. The models commonly used can be grouped into two categories, namely, species models and exchange models. Species models involve integrations of functionals that explicitly depend on fields originating both from species density operators and their conjugate chemical potential fields. In contrast, exchange models retain only linear combinations of the chemical potential fields. In the two-component case, development of exchange models has been instrumental in enabling stable complex Langevin (CL) simulations of the full complex-valued theory. No comparable stable CL approach has yet been established for field theories of the species type. Here, we introduce an extension of the exchange model to an arbitrary number of components, namely, the multi-species exchange (MSE) model, which greatly expands the classes of soft material systems that can be accessed by the complex Langevin simulation technique. We demonstrate the stability and accuracy of the MSE-CL sampling approach using numerical simulations of triblock and tetrablock terpolymer melts, and tetrablock quaterpolymer melts. This method should enable studies of a wide range of fluctuation phenomena in multiblock/multi-species polymer blends and composites.

  4. A nonlinear model for ionic polymer metal composites as actuators

    Science.gov (United States)

    Bonomo, C.; Fortuna, L.; Giannone, P.; Graziani, S.; Strazzeri, S.

    2007-02-01

    This paper introduces a comprehensive nonlinear dynamic model of motion actuators based on ionic polymer metal composites (IPMCs) working in air. Significant quantities ruling the acting properties of IPMC-based actuators are taken into account. The model is organized as follows. As a first step, the dependence of the IPMC absorbed current on the voltage applied across its thickness is taken into account; a nonlinear circuit model is proposed to describe this relationship. In a second step the transduction of the absorbed current into the IPMC mechanical reaction is modelled. The model resulting from the cascade of both the electrical and the electromechanical stages represents a novel contribution in the field of IPMCs, capable of describing the electromechanical behaviour of these materials and predicting relevant quantities in a large range of applied signals. The effect of actuator scaling is also investigated, giving interesting support to the activities involved in the design of actuating devices based on these novel materials. Evidence of the excellent agreement between the estimations obtained by using the proposed model and experimental signals is given.

  5. 3D Viscoelastic Finite Element Modelling of Polymer Flow in the Fiber Drawing Process for Microstructured Polymer Optical Fiber Fabrication

    DEFF Research Database (Denmark)

    Fasano, Andrea; Rasmussen, Henrik K.; Marín, J. M. R.

    2015-01-01

    The process of drawing an optical fiber from a polymer preform is still not completely understood,although it represents one of the most critical steps in the process chain for the fabrication of microstructuredpolymer optical fibers (mPOFs). Here we present a new approach for the numerical...... modelling of the fiber drawingprocess using a fully three-dimensional and time-dependent finite element method, giving significant insightinto this widely spread mPOF production technique. Our computational predictions are physically based on theviscoelastic fluid dynamics of polymers. Until now...

  6. Multiscale Modeling of Thermal Conductivity of Polymer/Carbon Nanocomposites

    Science.gov (United States)

    Clancy, Thomas C.; Frankland, Sarah-Jane V.; Hinkley, Jeffrey A.; Gates, Thomas S.

    2010-01-01

    Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between nanoparticles and amorphous and crystalline polymer matrices. Bulk thermal conductivities of the nanocomposites were then estimated using an established effective medium approach. To study functionalization, oligomeric ethylene-vinyl alcohol copolymers were chemically bonded to a single wall carbon nanotube. The results, in a poly(ethylene-vinyl acetate) matrix, are similar to those obtained previously for grafted linear hydrocarbon chains. To study the effect of noncovalent functionalization, two types of polyethylene matrices. -- aligned (extended-chain crystalline) vs. amorphous (random coils) were modeled. Both matrices produced the same interfacial thermal resistance values. Finally, functionalization of edges and faces of plate-like graphite nanoparticles was found to be only modestly effective in reducing the interfacial thermal resistance and improving the composite thermal conductivity

  7. Electromechanical modelling of tapered ionic polymer metal composites transducers

    Directory of Open Access Journals (Sweden)

    Rakesha Chandra Dash

    2016-09-01

    Full Text Available Ionic polymer metal composites (IPMCs are relatively new smart materials that exhibit a bidirectional electromechanical coupling. IPMCs have large number of important engineering applications such as micro robotics, biomedical devices, biomimetic robotics etc. This paper presents a comparison between tapered and uniform cantilevered Nafion based IPMCs transducer. Electromechanical modelling is done for the tapered beam. Thickness can be varied according to the requirement of force and deflection. Numerical results pertaining to the force and deflection characteristics of both type IPMCs transducer are obtained. It is shown that the desired amount of force and deflections for tapered IPMCs can be achieved for a given voltage. Different fixed end (t0 and free end (t1 thickness values have been taken to justify the results using MATLAB.

  8. Thermodynamic admissibility of the extended Pom-Pom model for branched polymers

    NARCIS (Netherlands)

    Soulages, J.; Hütter, M.; Öttinger, H.C.

    2006-01-01

    The thermodynamic consistency of the eXtended Pom-Pom (XPP) model for branched polymers of Verbeeten et al. [W.M.H. Verbeeten, G.W.M. Peters, F.P.T. Baaijens, Differential constitutive equations for polymer melts: the extended pom-pom model, J. Rheol. 45 (4) (2001) 823–843; W.M.H. Verbeeten, G.W.M.

  9. Process modeling of conductivity in nanocomposites based on reticulated polymers and carbon nanotubes

    International Nuclear Information System (INIS)

    Dolgoshej, V.B.; Korskanov, V.V.; Karpova, I.L.; Bardash, L.V.

    2012-01-01

    The dependences of electric conductivities of thermosetting polymer nanocomposites based on epoxy polymer and polycyanurate filled by carbon nanotubes were investigated. Low values of percolation threshold at volume fraction of carbon nanotubes from 0.001 to 0.002 were observed for all samples.Absolute values of the percolation threshold are in good agreement with the results of mathematical modeling. It is established that electrical properties of thermosetting polymer nanocomposites can be characterized in the frame of the same theoretical model despite difference in polymers properties

  10. High stability of polymer optical fiber with dye doped cladding for illumination systems

    Energy Technology Data Exchange (ETDEWEB)

    Jaramillo-Ochoa, L. [Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Querétaro 76230, México (Mexico); Narro-García, R. [Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Querétaro 76230, México (Mexico); Universidad Autónoma de Chihuahua, Facultad de Ingeniería, Circuito Universitario S/N, 31125 Chihuahua, Chih., México (Mexico); Ocampo, M.A. [Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Querétaro 76230, México (Mexico); Quintero-Torres, R., E-mail: rquintero@fata.unam.mx [Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Querétaro 76230, México (Mexico)

    2017-04-15

    In this work, the photodegradation of a polymer optical fiber with Rhodamine doped cladding as a function of illumination time and excitation intensity is presented. To show the effect of photodegradation on different bulk geometries and environments, the photodegradation from a dye doped preform and a PMMA thick film is also evaluated. The reversible and the irreversible degradation of the florescent material were quantified under an established excitation scheme. To this purpose, a four-level system to model the photodegradation rates and its relation with the population of the states is presented and it is used to justify a possible underlying mechanism. The obtained results suggest an increase of one order of magnitude in the stability (lifetime) of the polymer optical fiber with respect to the preform or the thick film geometry stability.

  11. Artificial Neural Network Model to Estimate the Viscosity of Polymer Solutions for Enhanced Oil Recovery

    Directory of Open Access Journals (Sweden)

    Pan-Sang Kang

    2016-06-01

    Full Text Available Polymer flooding is now considered a technically- and commercially-proven method for enhanced oil recovery (EOR. The viscosity of the injected polymer solution is the key property for successful polymer flooding. Given that the viscosity of a polymer solution has a non-linear relationship with various influential parameters (molecular weight, degree of hydrolysis, polymer concentration, cation concentration of polymer solution, shear rate, temperature and that measurement of viscosity based on these parameters is a time-consuming process, the range of solution samples and the measurement conditions need to be limited and precise. Viscosity estimation of the polymer solution is effective for these purposes. An artificial neural network (ANN was applied to the viscosity estimation of FlopaamTM 3330S, FlopaamTM 3630S and AN-125 solutions, three commonly-used EOR polymers. The viscosities measured and estimated by ANN and the Carreau model using Lee’s correlation, the only method for estimating the viscosity of an EOR polymer solution in unmeasured conditions, were compared. Estimation accuracy was evaluated by the average absolute relative deviation, which has been widely used for accuracy evaluation of the results of ANN models. In all conditions, the accuracy of the ANN model is higher than that of the Carreau model using Lee’s correlation.

  12. Multi-scale modeling of diffusion-controlled reactions in polymers: renormalisation of reactivity parameters.

    Science.gov (United States)

    Everaers, Ralf; Rosa, Angelo

    2012-01-07

    The quantitative description of polymeric systems requires hierarchical modeling schemes, which bridge the gap between the atomic scale, relevant to chemical or biomolecular reactions, and the macromolecular scale, where the longest relaxation modes occur. Here, we use the formalism for diffusion-controlled reactions in polymers developed by Wilemski, Fixman, and Doi to discuss the renormalisation of the reactivity parameters in polymer models with varying spatial resolution. In particular, we show that the adjustments are independent of chain length. As a consequence, it is possible to match reactions times between descriptions with different resolution for relatively short reference chains and to use the coarse-grained model to make quantitative predictions for longer chains. We illustrate our results by a detailed discussion of the classical problem of chain cyclization in the Rouse model, which offers the simplest example of a multi-scale descriptions, if we consider differently discretized Rouse models for the same physical system. Moreover, we are able to explore different combinations of compact and non-compact diffusion in the local and large-scale dynamics by varying the embedding dimension.

  13. Utilization of polymer enclosed intermediate class arresters to improve the performance of modern power systems

    International Nuclear Information System (INIS)

    Sakich, J.D.; Lenk, D.W.; Koepfinger, J.L.

    1992-01-01

    This paper introduces the first commercially available polymer enclosed intermediate class metal oxide surge arrester. It describes the unique construction of the design, including reduced size, increased flexibility, a collared seal on the polymer housing and an open webbed fiberglass-epoxy module which houses the metal oxide disc elements. Performance advantages are discussed. These include improved short term contamination performance of the insulator-like polymer design when compared to multi-unit porcelain housed designs. Data will show that polymer housed open-webbed fiberglass module construction extends the pressure relief capability beyond that of typical porcelain enclosed designs. The capability of the polymer enclosed design to withstand repeated pressure relief tests, simulating system reclose on a failed arrester, is also discussed. This paper discusses the circumstances at one utility which has considered utilizing polymer enclosed intermediate class arresters to effectively upgrade their system protection capabilities

  14. Transferable coarse-grained model for perfluorosulfonic acid polymer membranes

    Science.gov (United States)

    Kuo, An-Tsung; Okazaki, Susumu; Shinoda, Wataru

    2017-09-01

    Perfluorosulfonic acid (PFSA) polymer membranes are widely used as proton exchange membranes. Because the structure of the aqueous domain within the PFSA membrane is expected to directly influence proton conductance, many coarse-grained (CG) simulation studies have been performed to investigate the membrane morphology; these studies mostly used phenomenological models, such as dissipative particle dynamics. However, a chemically accurate CG model is required to investigate the morphology in realistic membranes and to provide a concrete molecular design. Here, we attempt to construct a predictive CG model for the structure and morphology of PFSA membranes that is compatible with the Sinoda-DeVane-Klein (SDK) CG water model [Shinoda et al., Mol. Simul. 33, 27 (2007)]. First, we extended the parameter set for the SDK CG force field to examine a hydrated PFSA membrane based on thermodynamic and structural data from experiments and all-atom (AA) molecular dynamics (MD) simulations. However, a noticeable degradation of the morphology motivated us to improve the structural properties by using the iterative Boltzmann inversion (IBI) approach. Thus, we explored a possible combination of the SDK and IBI approaches to describe the nonbonded interaction. The hybrid SDK/IBI model improved the structural issues of SDK, showing a better agreement with AA-MD in the radial distribution functions. The hybrid SDK/IBI model was determined to reasonably reproduce both the thermodynamic and structural properties of the PFSA membrane for all examined water contents. In addition, the model demonstrated good transferability and has considerable potential for application to realistic long-chained PFSA membranes.

  15. Electronic excited states and relaxation dynamics in polymer heterojunction systems

    Science.gov (United States)

    Ramon, John Glenn Santos

    The potential for using conducting polymers as the active material in optoelectronic devices has come to fruition in the past few years. Understanding the fundamental photophysics behind their operations points to the significant role played by the polymer interface in their performance. Current device architectures involve the use of bulk heterojunctions which intimately blend the donor and acceptor polymers to significantly increase not only their interfacial surface area but also the probability of exciton formation within the vicinity of the interface. In this dissertation, we detail the role played by the interface on the behavior and performance of bulk heterojunction systems. First, we explore the relation between the exciton binding energy to the band offset in determining device characteristics. As a general rule, when the exciton binding energy is greater than the band offset, the exciton remains the lowest energy excited state leading to efficient light-emitting properties. On the other hand, if the offset is greater than the binding energy, charge separation becomes favorable leading to better photovoltaic behavior. Here, we use a Wannier function, configuration interaction based approach to examine the essential excited states and predict the vibronic absorption and emission spectra of the PPV/BBL, TFB/F8BT and PFB/F8BT heterojunctions. Our results underscore the role of vibrational relaxation in the formation of charge-transfer states following photoexcitation. In addition, we look at the relaxation dynamics that occur upon photoexcitation. For this, we adopt the Marcus-Hush semiclassical method to account for lattice reorganization in the calculation of the interconversion rates in TFB/F8BT and PFB/F8BT. We find that, while a tightly bound charge-transfer state (exciplex) remains the lowest excited state, a regeneration pathway to the optically active lowest excitonic state in TFB/F8BT is possible via thermal repopulation from the exciplex. Finally

  16. Modelling of the inhomogeneous interior of polymer gels

    International Nuclear Information System (INIS)

    Shew, C-Y; Iwaki, Takafumi

    2006-01-01

    A simple model has been investigated to elucidate the mean squared displacement (MSD) of probe molecules in cross-linked polymer gels. In the model, we assume that numerous cavities distribute in the inhomogeneous interior of a gel, and probe molecules are confined within these cavities. The individual probe molecules trapped in a gel are treated as Brownian particles confined to a spherical harmonic potential. The harmonic potential is chosen to model the effective potential experienced by the probe particle in the cavity of a gel. Each field strength is corresponding to the characteristic of one type of effective cavity. Since the statistical distribution of different effective cavity sizes is unknown, several distribution functions are examined. Meanwhile, the calculated averaged MSDs are compared to the experimental data by Nisato et al (2000 Phys. Rev. E 61 2879). We find that the theoretical results of the MSD are sensitive to the shape of the distribution function. For low cross-linked gels, the best fit is obtained when the interior cavities of a gel follow a bimodal distribution. Such a result may be attributed to the presence of at least two distinct classes of cavity in gels. For high cross-linked gels, the cavities in the gel can be depicted by a single-modal uniform distribution function, suggesting that the range of cavity sizes becomes smaller. These results manifest the voids inside a gel, and the shape of distribution functions may provide the insight into the inhomogeneous interior of a gel

  17. Thermal modelling of Li-ion polymer battery for electric vehicle drive cycles

    Science.gov (United States)

    Chacko, Salvio; Chung, Yongmann M.

    2012-09-01

    Time-dependent, thermal behaviour of a lithium-ion (Li-ion) polymer cell has been modelled for electric vehicle (EV) drive cycles with a view to developing an effective battery thermal management system. The fully coupled, three-dimensional transient electro-thermal model has been implemented based on a finite volume method. To support the numerical study, a high energy density Li-ion polymer pouch cell was tested in a climatic chamber for electric load cycles consisting of various charge and discharge rates, and a good agreement was found between the model predictions and the experimental data. The cell-level thermal behaviour under stressful conditions such as high power draw and high ambient temperature was predicted with the model. A significant temperature increase was observed in the stressful condition, corresponding to a repeated acceleration and deceleration, indicating that an effective battery thermal management system would be required to maintain the optimal cell performance and also to achieve a full battery lifesapn.

  18. Identification and design of novel polymer-based mechanical transducers: A nano-structural model for thin film indentation

    Energy Technology Data Exchange (ETDEWEB)

    Villanueva, Joshua; Huang, Qian; Sirbuly, Donald J., E-mail: dsirbuly@ucsd.edu [Department of NanoEngineering, University of California San Diego, La Jolla, California 92093 (United States)

    2014-09-14

    Mechanical characterization is important for understanding small-scale systems and developing devices, particularly at the interface of biology, medicine, and nanotechnology. Yet, monitoring sub-surface forces is challenging with current technologies like atomic force microscopes (AFMs) or optical tweezers due to their probe sizes and sophisticated feedback mechanisms. An alternative transducer design relying on the indentation mechanics of a compressible thin polymer would be an ideal system for more compact and versatile probes, facilitating measurements in situ or in vivo. However, application-specific tuning of a polymer's mechanical properties can be burdensome via experimental optimization. Therefore, efficient transducer design requires a fundamental understanding of how synthetic parameters such as the molecular weight and grafting density influence the bulk material properties that determine the force response. In this work, we apply molecular-level polymer scaling laws to a first order elastic foundation model, relating the conformational state of individual polymer chains to the macroscopic compression of thin film systems. A parameter sweep analysis was conducted to observe predicted model trends under various system conditions and to understand how nano-structural elements influence the material stiffness. We validate the model by comparing predicted force profiles to experimental AFM curves for a real polymer system and show that it has reasonable predictive power for initial estimates of the force response, displaying excellent agreement with experimental force curves. We also present an analysis of the force sensitivity of an example transducer system to demonstrate identification of synthetic protocols based on desired mechanical properties. These results highlight the usefulness of this simple model as an aid for the design of a new class of compact and tunable nanomechanical force transducers.

  19. Identification and design of novel polymer-based mechanical transducers: A nano-structural model for thin film indentation

    International Nuclear Information System (INIS)

    Villanueva, Joshua; Huang, Qian; Sirbuly, Donald J.

    2014-01-01

    Mechanical characterization is important for understanding small-scale systems and developing devices, particularly at the interface of biology, medicine, and nanotechnology. Yet, monitoring sub-surface forces is challenging with current technologies like atomic force microscopes (AFMs) or optical tweezers due to their probe sizes and sophisticated feedback mechanisms. An alternative transducer design relying on the indentation mechanics of a compressible thin polymer would be an ideal system for more compact and versatile probes, facilitating measurements in situ or in vivo. However, application-specific tuning of a polymer's mechanical properties can be burdensome via experimental optimization. Therefore, efficient transducer design requires a fundamental understanding of how synthetic parameters such as the molecular weight and grafting density influence the bulk material properties that determine the force response. In this work, we apply molecular-level polymer scaling laws to a first order elastic foundation model, relating the conformational state of individual polymer chains to the macroscopic compression of thin film systems. A parameter sweep analysis was conducted to observe predicted model trends under various system conditions and to understand how nano-structural elements influence the material stiffness. We validate the model by comparing predicted force profiles to experimental AFM curves for a real polymer system and show that it has reasonable predictive power for initial estimates of the force response, displaying excellent agreement with experimental force curves. We also present an analysis of the force sensitivity of an example transducer system to demonstrate identification of synthetic protocols based on desired mechanical properties. These results highlight the usefulness of this simple model as an aid for the design of a new class of compact and tunable nanomechanical force transducers.

  20. Norbornylene-based polymer systems for dielectric applications

    Science.gov (United States)

    Dirk, Shawn M [Albuquerque, NM; Wheeler, David R [Albuquerque, NM

    2012-07-17

    A capacitor having at least one electrode pair being separated by a dielectric component, with the dielectric component being made of a polymer such as a norbornylene-containing polymer with a dielectric constant greater than 3 and a dissipation factor less than 0.1 where the capacitor has an operating temperature greater than 100.degree. C. and less than 170.degree. C.

  1. Compact hydrogen production systems for solid polymer fuel cells

    Science.gov (United States)

    Ledjeff-Hey, K.; Formanski, V.; Kalk, Th.; Roes, J.

    Generally there are several ways to produce hydrogen gas from carbonaceous fuels like natural gas, oil or alcohols. Most of these processes are designed for large-scale industrial production and are not suitable for a compact hydrogen production system (CHYPS) in the power range of 1 kW. In order to supply solid polymer fuel cells (SPFC) with hydrogen, a compact fuel processor is required for mobile applications. The produced hydrogen-rich gas has to have a low level of harmful impurities; in particular the carbon monoxide content has to be lower than 20 ppmv. Integrating the reaction step, the gas purification and the heat supply leads to small-scale hydrogen production systems. The steam reforming of methanol is feasible at copper catalysts in a low temperature range of 200-350°C. The combination of a small-scale methanol reformer and a metal membrane as purification step forms a compact system producing high-purity hydrogen. The generation of a SPFC hydrogen fuel gas can also be performed by thermal or catalytic cracking of liquid hydrocarbons such as propane. At a temperature of 900°C the decomposition of propane into carbon and hydrogen takes place. A fuel processor based on this simple concept produces a gas stream with a hydrogen content of more than 90 vol.% and without CO and CO2.

  2. Modeling of nanosecond pulsed laser processing of polymers in air and water

    DEFF Research Database (Denmark)

    Marla, Deepak; Zhang, Yang; Hattel, Jesper H.

    2018-01-01

    radiation (λ = 1064 nm) of nanosecond pulse duration. The laser–polymer interaction at such wavelengths is purely photo-thermal in nature and the laser–plasma interaction is assumed to occur mainly by inverse-bremsstrahlung photon absorption. The computational model is based on the finite volume method......Laser ablation of polymers in water is known to generate distinct surface characteristics as compared to that in air. In order to understand the role of ambient media during laser ablation of polymers, this paper aims to develop a physics-based model of the process considering the effect of ambient...... media. Therefore, in the present work, models are developed for laser ablation of polymers in air and water considering all the relevant physical phenomena such as laser–polymer interaction, plasma generation, plasma expansion and plasma shielding. The current work focuses on near-infrared laser...

  3. Modeling and Simulation for Fuel Cell Polymer Electrolyte Membrane

    Directory of Open Access Journals (Sweden)

    Takahiro Hayashi

    2013-01-01

    Full Text Available We have established methods to evaluate key properties that are needed to commercialize polyelectrolyte membranes for fuel cell electric vehicles such as water diffusion, gas permeability, and mechanical strength. These methods are based on coarse-graining models. For calculating water diffusion and gas permeability through the membranes, the dissipative particle dynamics–Monte Carlo approach was applied, while mechanical strength of the hydrated membrane was simulated by coarse-grained molecular dynamics. As a result of our systematic search and analysis, we can now grasp the direction necessary to improve water diffusion, gas permeability, and mechanical strength. For water diffusion, a map that reveals the relationship between many kinds of molecular structures and diffusion constants was obtained, in which the direction to enhance the diffusivity by improving membrane structure can be clearly seen. In order to achieve high mechanical strength, the molecular structure should be such that the hydrated membrane contains narrow water channels, but these might decrease the proton conductivity. Therefore, an optimal design of the polymer structure is needed, and the developed models reviewed here make it possible to optimize these molecular structures.

  4. Grafted polymers with annealed excluded volume : a model for surfactant association in brushes

    NARCIS (Netherlands)

    Currie, E.P.K.; Fleer, G.J.; Cohen Stuart, M.A.; Borisov, O.V.

    2000-01-01

    We present an analytical self-consistent-field (SCF) theory for a neutral polymer brush (a layer of long polymer chains end-grafted to a surface) with annealed excluded volume interactions between the monomer units. This model mimics the reversible adsorption of solute molecules or aggregates, such

  5. Kinetic modelling of slurry polymerization of ethylene with a polymer supported Ziegler-Natta catalyst (hydrogen)

    Energy Technology Data Exchange (ETDEWEB)

    Shariati, A.

    1996-12-31

    The kinetics of polymerization of ethylene catalyzed by a polymer supported Ziegler-Natta catalyst were investigated in a semi-batch reactor system. The influences of six polymerization variables were investigated using a central composite design. The variables were monomer partial pressure, catalyst loading, co-catalyst loading, catalyst particle size and hydrogen to monomer ratio. The influence of temperature on rate and polymer properties were investigated. Empirical models were fitted to the experimental data to quantify the effects of the polymerization variables on the rate characteristics and polymer properties. The rate of polymerization exhibited a first order dependency with respect to monomer partial pressure, but a nonlinear relationship with respect to catalyst loading. In the absence of hydrogen, the polymerization rate showed a non-decaying profile at the centre point conditions for the other variables. Catalyst loading and catalyst particle size had a negligible effect on weight-and-number-average molecular weights, while increasing co-catalysts loading lowered the molecular weights, as did increased temperature and hydrogen concentration. refs., figs.

  6. Influence of anharmonic effects on the structural-mechanical and thermophysical properties of filled polymer systems

    International Nuclear Information System (INIS)

    Bordyuk, N.A.; Nikitchuk, V.I.; Voloshin, O.M.

    1995-01-01

    The force constants of anharmonicity, the total energy, and the force of interaction between structural elements of PVC systems are determined from the values of the quasielastic constants of filled polymer systems

  7. Polymer solar cells based on poly(3-hexylthiophene) and fullerene: Pyrene acceptor systems

    Energy Technology Data Exchange (ETDEWEB)

    Cominetti, Alessandra; Pellegrino, Andrea; Longo, Luca [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Po, Riccardo, E-mail: riccardo.po@eni.com [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Tacca, Alessandra; Carbonera, Chiara; Salvalaggio, Mario [Research Center for Renewable Energies and Environment, Istituto Donegani, Eni S.p.A, Via Fauser 4, IT-28100 Novara (Italy); Baldrighi, Michele; Meille, Stefano Valdo [Dipartimento di Chimica, Materiali e Ingegneria Chimica “G. Natta”, Politecnico di Milano, via Mancinelli 7, IT-20131 Milano (Italy)

    2015-06-01

    The replacement of widely used fullerene derivatives, e.g. [6,6]-phenyl-C61-butyric acid methyl ester (PCBM), with unfunctionalized C60 and C70 is an effective approach to reduce the costs of organic photovoltaics. However, solubility issues of these compounds have always represented an obstacle to their use. In this study, bulk-heterojunction solar cells made of poly(3-hexylthiophene) donor polymer, C60 or C70 acceptors and a pyrene derivative (1-pyrenebutiric acid butyl ester) are reported. Butyl 1-pyrenebutirate limits the aggregation of fullerenes and improves the active layer morphology, plausibly due to the formation of pyrene-fullerene complexes which, in the case of pyrene-C70, were also obtained in a crystalline form. Maximum power conversion efficiencies of 1.54% and 2.50% have been obtained using, respectively, C60 or C70 as acceptor. Quantum mechanical modeling provides additional insight into the formation of plausible supermolecular structures via π-π interactions and on the redox behaviour of pyrene-fullerene systems. - Highlights: • Pyrene derivatives favour the dispersion of unfunctionalized fullerenes. • Polymer solar cells with pyrene: C60 adduct as acceptor have efficiencies of 1.54%. • When C60 is substituted with C70 the efficiency is increased to 2.50%. • DFT calculations support the plausibility of the formation of pyrene: fullerene adducts. • The use of unfunctionalized fullerenes may decrease the costs of polymer solar cells.

  8. Fabrication and modelling of injection moulded all-polymer capillary microvalves for passive microfluidic control

    International Nuclear Information System (INIS)

    Kistrup, Kasper; Østergaard, Peter Friis; Taboryski, Rafael; Wolff, Anders; Hansen, Mikkel Fougt; Haugshøj, Kenneth Brian; Poulsen, Carl Esben

    2014-01-01

    Rapid prototyping is desirable when developing products. One example of such a product is all-polymer, passive flow controlled lab-on-a-chip systems that are preferential when developing low-cost disposable chips for point-of-care use. In this paper we investigate the following aspects of going from rapid prototyping to pilot (mass) production. (1) Fabrication of an all-polymer microfluidic system using a rapid prototyped master insert for injection moulding and ultrasonic welding, including a systematic experimental characterisation of chip featured geometric capillary microvalve test structures. (2) Numerical modelling of the microvalve burst pressures. Numerical modelling of burst pressures is challenging due to its non-equilibrium nature. We have implemented and tested the level-set method modified with a damped driving term and show that the introduction of the damping term leads to numerically robust results with limited computational demands and a low number of iterations. Numerical and simplified analytical results are validated against the experimental results. We find that injection moulding and ultrasonic welding are effective for chip production and that the experimental burst pressures could be estimated with an average accuracy of 5% using the presented numerical model. (paper)

  9. One-step polymer surface modification for minimizing drug, protein, and DNA adsorption in microanalytical systems

    DEFF Research Database (Denmark)

    Larsen, Esben Kjær Unmack; Larsen, Niels Bent

    2013-01-01

    The non-specific adsorption of dissolved analytes strongly reduces the sensitivity and reliability in polymer microanalytical systems. Here, a one-step aqueous phase procedure modifies polymer material surfaces to strongly reduce their non-specific adsorption of a broad range of organic analytes ...

  10. Precision manufacturing of polymer micro-nano fluidic systems

    DEFF Research Database (Denmark)

    Garnæs, Jørgen; Calaon, Matteo; Tosello, Guido

    2015-01-01

    Lab-on-a-Chip (LoC) technologies require the possibility of fabricating devices which include micro down to sub-micrometre features with high production rate and low cost. In the present study precision injection moulding is performed using a COC Topas 5013 L10 polymer to produce LoC devices...... in the sample. Design of experiment (DOE) was adopted to characterize the replication fidelity of produced polymer features. Results have shown the possibility of performing quality control of micro- and sub-μm features, taking into account the polymer shrinkage, depending on process conditions at both micro...

  11. End to end distribution functions for a class of polymer models

    International Nuclear Information System (INIS)

    Khandekar, D.C.; Wiegel, F.W.

    1988-01-01

    The two point end-to-end distribution functions for a class of polymer models have been obtained within the first cumulant approximation. The trial distribution function this purpose is chosen to correspond to a general non-local quadratic functional. An Exact expression for the trial distribution function is obtained. It is pointed out that these trial distribution functions themselves can be used to study certain aspects of the configurational behaviours of polymers. These distribution functions are also used to obtain the averaged mean square size 2 > of a polymer characterized by the non-local quadratic potential energy functional. Finally, we derive an analytic expression for 2 > of a polyelectrolyte model and show that for a long polymer a weak electrostatic interaction does not change the behaviour of 2 > from that of a free polymer. (author). 16 refs

  12. Polymer-lipid hybrid nanoparticles as enhanced indomethacin delivery systems.

    Science.gov (United States)

    Dalmoro, Annalisa; Bochicchio, Sabrina; Nasibullin, Shamil F; Bertoncin, Paolo; Lamberti, Gaetano; Barba, Anna Angela; Moustafine, Rouslan I

    2018-05-17

    Non-steroidal anti-inflammatory drugs (NSAIDs), i.e. indomethacin used for rheumatoid arthritis and non-rheumatoid inflammatory diseases, are known for their injurious actions on the gastrointestinal (GI) tract. Mucosal damage can be avoided by using nanoscale systems composed by a combination of liposomes and biodegradable natural polymer, i.e. chitosan, for enhancing drug activity. Aim of this study was to prepare chitosan-lipid hybrid delivery systems for indomethacin dosage through a novel continuous method based on microfluidic principles. The drop-wise conventional method was also applied in order to investigate the effect of the two polymeric coverage processes on the nanostructures features and their interactions with indomethacin. Thermal-physical properties, mucoadhesiveness, drug entrapment efficiency, in vitro release behavior in simulated GI fluids and stability in stocking conditions were assayed and compared, respectively, for the uncoated and chitosan-coated nanoliposomes prepared by the two introduced methods. The prepared chitosan-lipid hybrid structures, with nanometric size, have shown high indomethacin loading (about 10%) and drug encapsulation efficiency up to 99%. TEM investigation has highlighted that the developed novel simil-microfluidic method is able to put a polymeric layer, surrounding indomethacin loaded nanoliposomes, thicker and smoother than that achievable by the drop-wise method, improving their storage stability. Finally, double pH tests have confirmed that the chitosan-lipid hybrid nanostructures have a gastro retentive behavior in simulated gastric and intestinal fluids thus can be used as delivery systems for the oral-controlled release of indomethacin. Based on the present results, the simil-microfluidic method, working with large volumes, in a rapid manner, without the use of drastic conditions and with a precise control over the covering process, seems to be the most promising method for the production of suitable

  13. Computational modeling of biodegradable starch based polymer composites

    Science.gov (United States)

    Joshi, Sachin Sudhakar

    2007-12-01

    Purpose. The goal of this study is to improve the favorable molecular interactions between starch and PPC by addition of grafting monomers MA and ROM as compatibilizers, which would advance the mechanical properties of starch/PPC composites. Methodology. DFT and semi-empirical methods based calculations were performed on three systems: (a) starch/PPC, (b) starch/PPC-MA, and (c) starch-ROM/PPC. Theoretical computations involved the determination of optimal geometries, binding-energies and vibrational frequencies of the blended polymers. Findings. Calculations performed on five starch/PPC composites revealed hydrogen bond formation as the driving force behind stable composite formation, also confirmed by the negative relative energies of the composites indicating the existence of binding forces between the constituent co-polymers. The interaction between starch and PPC is also confirmed by the computed decrease in stretching CO and OH group frequencies participating in hydrogen bond formation, which agree qualitatively with the experimental values. A three-step mechanism of grafting MA on PPC was proposed to improve the compatibility of PPC with starch. Nine types of 'blends' produced by covalent bond formation between starch and MA-grafted PPC were found to be energetically stable, with blends involving MA grafted at the 'B' and 'C' positions of PPC indicating a binding-energy increase of 6.8 and 6.2 kcal/mol, respectively, as compared to the non-grafted starch/PPC composites. A similar increase in binding-energies was also observed for three types of 'composites' formed by hydrogen bond formation between starch and MA-grafted PPC. Next, grafting of ROM on starch and subsequent blend formation with PPC was studied. All four types of blends formed by the reaction of ROM-grafted starch with PPC were found to be more energetically stable as compared to the starch/PPC composite and starch/PPC-MA composites and blends. A blend of PPC and ROM grafted at the '

  14. Computational modeling of elastic properties of carbon nanotube/polymer composites with interphase regions. Part II: Mechanical modeling

    KAUST Repository

    Han, Fei; Azdoud, Yan; Lubineau, Gilles

    2014-01-01

    We present two modeling approaches for predicting the macroscopic elastic properties of carbon nanotubes/polymer composites with thick interphase regions at the nanotube/matrix frontier. The first model is based on local continuum mechanics

  15. On computing stress in polymer systems involving multi-body potentials from molecular dynamics simulation

    Science.gov (United States)

    Fu, Yao; Song, Jeong-Hoon

    2014-08-01

    Hardy stress definition has been restricted to pair potentials and embedded-atom method potentials due to the basic assumptions in the derivation of a symmetric microscopic stress tensor. Force decomposition required in the Hardy stress expression becomes obscure for multi-body potentials. In this work, we demonstrate the invariance of the Hardy stress expression for a polymer system modeled with multi-body interatomic potentials including up to four atoms interaction, by applying central force decomposition of the atomic force. The balance of momentum has been demonstrated to be valid theoretically and tested under various numerical simulation conditions. The validity of momentum conservation justifies the extension of Hardy stress expression to multi-body potential systems. Computed Hardy stress has been observed to converge to the virial stress of the system with increasing spatial averaging volume. This work provides a feasible and reliable linkage between the atomistic and continuum scales for multi-body potential systems.

  16. Performance of a Polymer Flood with Shear-Thinning Fluid in Heterogeneous Layered Systems with Crossflow

    Directory of Open Access Journals (Sweden)

    Kun Sang Lee

    2011-08-01

    Full Text Available Assessment of the potential of a polymer flood for mobility control requires an accurate model on the viscosities of displacement fluids involved in the process. Because most polymers used in EOR exhibit shear-thinning behavior, the effective viscosity of a polymer solution is a highly nonlinear function of shear rate. A reservoir simulator including the model for the shear-rate dependence of viscosity was used to investigate shear-thinning effects of polymer solution on the performance of the layered reservoir in a five-spot pattern operating under polymer flood followed by waterflood. The model can be used as a quantitative tool to evaluate the comparative studies of different polymer flooding scenarios with respect to shear-rate dependence of fluids’ viscosities. Results of cumulative oil recovery and water-oil ratio are presented for parameters of shear-rate dependencies, permeability heterogeneity, and crossflow. The results of this work have proven the importance of taking non-Newtonian behavior of polymer solution into account for the successful evaluation of polymer flood processes. Horizontal and vertical permeabilities of each layer are shown to impact the predicted performance substantially. In reservoirs with a severe permeability contrast between horizontal layers, decrease in oil recovery and sudden increase in WOR are obtained by the low sweep efficiency and early water breakthrough through highly permeable layer, especially for shear-thinning fluids. An increase in the degree of crossflow resulting from sufficient vertical permeability is responsible for the enhanced sweep of the low permeability layers, which results in increased oil recovery. It was observed that a thinning fluid coefficient would increase injectivity significantly from simulations with various injection rates. A thorough understanding of polymer rheology in the reservoir and accurate numerical modeling are of fundamental importance for the exact estimation

  17. Two-Phase Contiguous Supported Lipid Bilayer Model for Membrane Rafts via Polymer Blotting and Stenciling.

    Science.gov (United States)

    Richards, Mark J; Daniel, Susan

    2017-02-07

    The supported lipid bilayer has been portrayed as a useful model of the cell membrane compatible with many biophysical tools and techniques that demonstrate its appeal in learning about the basic features of the plasma membrane. However, some of its potential has yet to be realized, particularly in the area of bilayer patterning and phase/composition heterogeneity. In this work, we generate contiguous bilayer patterns as a model system that captures the general features of membrane domains and lipid rafts. Micropatterned polymer templates of two types are investigated for generating patterned bilayer formation: polymer blotting and polymer lift-off stenciling. While these approaches have been used previously to create bilayer arrays by corralling bilayers patches with various types of boundaries impenetrable to bilayer diffusion, unique to the methods presented here, there are no physical barriers to diffusion. In this work, interfaces between contiguous lipid phases define the pattern shapes, with continuity between them allowing transfer of membrane-bound biomolecules between the phases. We examine effectors of membrane domain stability including temperature and cholesterol content to investigate domain dynamics. Contiguous patterning of supported bilayers as a model of lipid rafts expands the application of the SLB to an area with current appeal and brings with it a useful toolset for characterization and analysis. These combined tools should be helpful to researchers investigating lipid raft dynamics and function and biomolecule partitioning studies. Additionally, this patterning technique may be useful for applications such as bioseparations that exploit differences in lipid phase partitioning or creation of membranes that bind species like viruses preferentially at lipid phase boundaries, to name a few.

  18. Modeling of an ionic polymer metal composite actuator based on an extended Kalman filter trained neural network

    International Nuclear Information System (INIS)

    Truong, Dinh Quang; Ahn, Kyoung Kwan

    2014-01-01

    An ion polymer metal composite (IPMC) is an electroactive polymer that bends in response to a small applied electric field as a result of mobility of cations in the polymer network and vice versa. This paper presents an innovative and accurate nonlinear black-box model (NBBM) for estimating the bending behavior of IPMC actuators. The model is constructed via a general multilayer perceptron neural network (GMLPNN) integrated with a smart learning mechanism (SLM) that is based on an extended Kalman filter with self-decoupling ability (SDEKF). Here the GMLPNN is built with an ability to autoadjust its structure based on its characteristic vector. Furthermore, by using the SLM based on the SDEKF, the GMLPNN parameters are optimized with small computational effort, and the modeling accuracy is improved. An apparatus employing an IPMC actuator is first set up to investigate the IPMC characteristics and to generate the data for training and validating the model. The advanced NBBM model for the IPMC system is then created with the proper inputs to estimate IPMC tip displacement. Next, the model is optimized using the SLM mechanism with the training data. Finally, the optimized NBBM model is verified with the validating data. A comparison between this model and the previously developed model is also carried out to prove the effectiveness of the proposed modeling technique. (paper)

  19. Rationalising polymer selection for supersaturated film forming systems produced by an aerosol spray for the transdermal delivery of methylphenidate.

    Science.gov (United States)

    Edwards, A; Qi, S; Liu, F; Brown, M B; McAuley, W J

    2017-05-01

    Film forming systems offer a number of advantages for topical and transdermal drug delivery, in particular enabling production of a supersaturated state which can greatly improve drug absorption and bioavailability. However the suitability of individual film forming polymers to stabilise the supersaturated state and optimise delivery of drugs is not well understood. This study reports the use of differential scanning calorimetry (DSC) to measure the solubility of methylphenidate both as the free base and as the hydrochloride salt in two polymethacrylate copolymers, Eudragit RS (EuRS) and Eudragit E (EuE) and relates this to the ability of films formed using these polymers to deliver methylphenidate across a model membrane. EuRS provided greater methylphenidate delivery when the drug was formulated as the free base in comparison EuE because the lower solubility of the drug in EuRS provided a higher degree of drug saturation in the polymeric film. In contrast EuE provided greater delivery of methylphenidate hydrochloride as EuRS could not prevent its crystallisation from a supersaturated state. Methylphenidate flux across the membrane could be directly related to degree of saturation of the drug in the film formulation as estimated by the drug solubility in the individual polymers demonstrating the importance of drug solubility in the polymer included in film forming systems for topical/transdermal drug delivery. In addition DSC has been demonstrated to be a useful tool for determining the solubility of drugs in polymers used in film forming systems and the approaches outlined here are likely to be useful for predicting the suitability of polymers for particular drugs in film forming transdermal drug delivery systems. Copyright © 2017. Published by Elsevier B.V.

  20. Modeling Polymers Containing Rod-Like Fillers: From Morphology to Mechanical Behavior

    National Research Council Canada - National Science Library

    Balazs, Anna

    2004-01-01

    ... ̂ Predict the macroscopic properties of the reinforced polymers In order to carry out these studies, we employed hybrid models that we recently developed to investigate both the dynamic and equilibrium...

  1. Optical measuring system with an interrogator and a polymer-based single-mode fibre optic sensor system

    DEFF Research Database (Denmark)

    2017-01-01

    The present invention relates to an optical measuring system comprising a polymer-based single-mode fibre-optic sensor system (102), an optical interrogator (101), and an optical arrangement (103) interconnecting the optical interrogator (101) and the polymer-based single-mode fibre-optic sensor...... system (102). The invention further relates to an optical interrogator adapted to be connected to a polymer-based single-mode fibre-optic sensor system via an optical arrangement. The interrogator comprises a broadband light source arrangement (104) and a spectrum analysing arrangement which receives...

  2. A Novel Approach to Population Balance Modeling of Reactive Polymer Modification Leading to Branching

    NARCIS (Netherlands)

    Kryven, I.; Iedema, P.D.

    2013-01-01

    The mathematical treatment of polymer modification systems, described by population balances containing convolution is discussed. The two-dimensional case (molecular weight vs. number of branch points) was considered by utilizing approximations of distributions, expanding them in terms of Gaussian

  3. An oral oligonucleotide delivery system based on a thiolated polymer: Development and in vitro evaluation.

    Science.gov (United States)

    Martien, Ronny; Hoyer, Herbert; Perera, Glen; Schnürch, Andreas Bernkop

    2011-08-01

    The purpose of this study was to develop and evaluate an oral oligonucleotide delivery system based on a thiolated polymer/reduced glutathione (GSH) system providing a protective effect toward nucleases and permeation enhancement. A polycarbophil-cysteine conjugate (PCP-Cys) was synthesized. Enzymatic degradation of a model oligonucleotide by DNase I and within freshly collected intestinal fluid was investigated in the absence and presence of PCP-Cys. Permeation studies with PCP-Cys/GSH versus control were performed in vitro on Caco-2 cell monolayers and ex vivo on rat intestinal mucosa. PCP-Cys displayed 223 ± 13.8 μmol thiol groups per gram polymer. After 4h, 61% of the free oligonucleotides were degraded by DNase I and 80% within intestinal fluid. In contrast, less than 41% (DNase I) and 60% (intestinal fluid) were degraded in the presence of 0.02% (m/v) PCP-Cys. Permeation studies revealed an 8-fold (Caco-2) and 10-fold (intestinal mucosa) increase in apparent permeability compared to buffer control. Hence, this PCP-Cys/GSH system might be a promising tool for the oral administration of oligonucleotides as it allows a significant protection toward degrading enzymes and facilitates their transport across intestinal membranes. Copyright © 2011 Elsevier B.V. All rights reserved.

  4. Antifouling Activity of Synthetic Alkylpyridinium Polymers Using the Barnacle Model

    Science.gov (United States)

    Piazza, Veronica; Dragić, Ivanka; Sepčić, Kristina; Faimali, Marco; Garaventa, Francesca; Turk, Tom; Berne, Sabina

    2014-01-01

    Polymeric alkylpyridinium salts (poly-APS) isolated from the Mediterranean marine sponge, Haliclona (Rhizoniera) sarai, effectively inhibit barnacle larva settlement and natural marine biofilm formation through a non-toxic and reversible mechanism. Potential use of poly-APS-like compounds as antifouling agents led to the chemical synthesis of monomeric and oligomeric 3-alkylpyridinium analogues. However, these are less efficient in settlement assays and have greater toxicity than the natural polymers. Recently, a new chemical synthesis method enabled the production of poly-APS analogues with antibacterial, antifungal and anti-acetylcholinesterase activities. The present study examines the antifouling properties and toxicity of six of these synthetic poly-APS using the barnacle (Amphibalanus amphitrite) as a model (cyprids and II stage nauplii larvae) in settlement, acute and sub-acute toxicity assays. Two compounds, APS8 and APS12-3, show antifouling effects very similar to natural poly-APS, with an anti-settlement effective concentration that inhibits 50% of the cyprid population settlement (EC50) after 24 h of 0.32 mg/L and 0.89 mg/L, respectively. The toxicity of APS8 is negligible, while APS12-3 is three-fold more toxic (24-h LC50: nauplii, 11.60 mg/L; cyprids, 61.13 mg/L) than natural poly-APS. This toxicity of APS12-3 towards nauplii is, however, 60-fold and 1200-fold lower than that of the common co-biocides, Zn- and Cu-pyrithione, respectively. Additionally, exposure to APS12-3 for 24 and 48 h inhibits the naupliar swimming ability with respective IC50 of 4.83 and 1.86 mg/L. PMID:24699112

  5. Antifouling Activity of Synthetic Alkylpyridinium Polymers Using the Barnacle Model

    Directory of Open Access Journals (Sweden)

    Veronica Piazza

    2014-04-01

    Full Text Available Polymeric alkylpyridinium salts (poly-APS isolated from the Mediterranean marine sponge, Haliclona (Rhizoniera sarai, effectively inhibit barnacle larva settlement and natural marine biofilm formation through a non-toxic and reversible mechanism. Potential use of poly-APS-like compounds as antifouling agents led to the chemical synthesis of monomeric and oligomeric 3-alkylpyridinium analogues. However, these are less efficient in settlement assays and have greater toxicity than the natural polymers. Recently, a new chemical synthesis method enabled the production of poly-APS analogues with antibacterial, antifungal and anti-acetylcholinesterase activities. The present study examines the antifouling properties and toxicity of six of these synthetic poly-APS using the barnacle (Amphibalanus amphitrite as a model (cyprids and II stage nauplii larvae in settlement, acute and sub-acute toxicity assays. Two compounds, APS8 and APS12-3, show antifouling effects very similar to natural poly-APS, with an anti-settlement effective concentration that inhibits 50% of the cyprid population settlement (EC50 after 24 h of 0.32 mg/L and 0.89 mg/L, respectively. The toxicity of APS8 is negligible, while APS12-3 is three-fold more toxic (24-h LC50: nauplii, 11.60 mg/L; cyprids, 61.13 mg/L than natural poly-APS. This toxicity of APS12-3 towards nauplii is, however, 60-fold and 1200-fold lower than that of the common co-biocides, Zn- and Cu-pyrithione, respectively. Additionally, exposure to APS12-3 for 24 and 48 h inhibits the naupliar swimming ability with respective IC50 of 4.83 and 1.86 mg/L.

  6. Blends of synthetic and natural polymers as drug delivery systems for growth hormone.

    Science.gov (United States)

    Cascone, M G; Sim, B; Downes, S

    1995-05-01

    In order to overcome the biological deficiencies of synthetic polymers and to enhance the mechanical characteristics of natural polymers, two synthetic polymers, poly(vinyl alcohol) (PVA) and poly(acrylic acid) (PAA) were blended, in different ratios, with two biological polymers, collagen (C) and hyaluronic acid (HA). These blends were used to prepare films, sponges and hydrogels which were loaded with growth hormone (GH) to investigate their potential use as drug delivery systems. The GH release was monitored in vitro using a specific enzyme-linked immunosorbent assay. The results show that GH can be released from HA/PAA sponges and from HA/PVA and C/PVA hydrogels. The initial GH concentration used for sample loading affected the total quantity of GH released but not the pattern of release. The rate and quantity of GH released was significantly dependent on the HA or C content of the polymers.

  7. Rapid replacement of Tangier Island bridges including lightweight and durable fiber-reinforced polymer deck systems.

    Science.gov (United States)

    2009-01-01

    Fiber-reinforced polymer (FRP) composite cellular deck systems were used as new bridge decks on two replacement bridges on Tangier Island, Virginia. The most important characteristics of this application were reduced self-weight and increased durabil...

  8. A new system for crack closure of cementitious materials using shrinkable polymers

    International Nuclear Information System (INIS)

    Jefferson, Anthony; Joseph, Christopher; Lark, Robert; Isaacs, Ben; Dunn, Simon; Weager, Brendon

    2010-01-01

    This paper presents details of an original crack-closure system for cementitious materials using shrinkable polymer tendons. The system involves the incorporation of unbonded pre-oriented polymer tendons in cementitious beams. Crack closure is achieved by thermally activating the shrinkage mechanism of the restrained polymer tendons after the cement-based material has undergone initial curing. The feasibility of the system is demonstrated in a series of small scale experiments on pre-cracked prismatic mortar specimens. The results from these tests show that, upon activation, the polymer tendon completely closes the preformed macro-cracks and imparts a significant stress across the crack faces. The potential of the system to enhance the natural autogenous crack healing process and generally improve the durability of concrete structures is addressed.

  9. Modeling of the branching influence on liquid–liquid equilibrium of binary and ternary polymer solutions by lattice–cluster theory

    International Nuclear Information System (INIS)

    Browarzik, Dieter; Langenbach, Kai; Enders, Sabine; Browarzik, Christina

    2013-01-01

    Highlights: ► Liquid–liquid equilibrium (LLE) is calculated with the lattice–cluster theory (LCT). ► Equations of the LCT are reduced to only three geometrical parameters. ► Branching influence on the LLE is modeled for binary and ternary polymer solutions. ► Branched and linear solvents and polymers are compared in their influence on LLE. ► Solutions of branched polymers in branched solvents show the best miscibility. -- Abstract: The liquid–liquid equilibrium (LLE) of ternary model systems of the type solvent A + polymer B + solvent C is treated in the framework of lattice–cluster theory (LCT). There are a linear and a branched type of A-molecules as well as a linear and two types of strongly branched polymer molecules. The C-molecules are assumed to occupy only one lattice site. For nine binary and six ternary polymer solutions the branching influence on LLE is discussed. Currently, the LCT is the most useful model to take the architecture of the molecules into account. However, particularly for ternary systems the model is not comfortable because of the very numerous terms of the Gibbs energy. Using some relationships between the geometrical parameters of the model a considerable simplification is possible. In this paper the new and simpler equations of the LCT are presented. For comparison with experimental data critical temperatures of solutions of linear and branched polyethylene samples in diphenyl ether are calculated

  10. Fabrication and optimization of a conducting polymer sensor array using stored grain model volatiles.

    Science.gov (United States)

    Hossain, Md Eftekhar; Rahman, G M Aminur; Freund, Michael S; Jayas, Digvir S; White, Noel D G; Shafai, Cyrus; Thomson, Douglas J

    2012-03-21

    During storage, grain can experience significant degradation in quality due to a variety of physical, chemical, and biological interactions. Most commonly, these losses are associated with insects or fungi. Continuous monitoring and an ability to differentiate between sources of spoilage are critical for rapid and effective intervention to minimize deterioration or losses. Therefore, there is a keen interest in developing a straightforward, cost-effective, and efficient method for monitoring of stored grain. Sensor arrays are currently used for classifying liquors, perfumes, and the quality of food products by mimicking the mammalian olfactory system. The use of this technology for monitoring of stored grain and identification of the source of spoilage is a new application, which has the potential for broad impact. The main focus of the work described herein is on the fabrication and optimization of a carbon black (CB) polymer sensor array to monitor stored grain model volatiles associated with insect secretions (benzene derivatives) and fungi (aliphatic hydrocarbon derivatives). Various methods of statistical analysis (RSD, PCA, LDA, t test) were used to select polymers for the array that were optimum for distinguishing between important compound classes (quinones, alcohols) and to minimize the sensitivity for other parameters such as humidity. The performance of the developed sensor array was satisfactory to demonstrate identification and separation of stored grain model volatiles at ambient conditions.

  11. Polymer multilevel lab-on-chip systems for electrochemical sensing

    DEFF Research Database (Denmark)

    Matteucci, Marco; Larsen, Simon Tylsgaard; Garau, Alessandro

    2013-01-01

    with depths as small as tens of nanometers and as big as hundreds of microns on the same polymer chip. The authors also describe in detail the fabrication procedure of polymer substrates with embedded Au and pedot:tosylate electrodes for electrochemical applications. The electrode fabrication process...... is simple and fit for integration in a production scheme. The electrode–substrates are then bonded to injection molded counterparts to be used for electrochemical applications. A dimensional and functional characterization of the electrodes is also presented here....

  12. Thermal degradation of polymer systems having liquid crystalline oligoester segment

    Directory of Open Access Journals (Sweden)

    Renato Matroniani

    Full Text Available Abstract Block copolymers and blends comprised by liquid crystalline oligoester and polystyrene were prepared and their thermal stability were characterized by thermogravimetric analysis (TGA. The samples have shown three main decomposition temperatures due to (1 lost of flexible chain and decomposition of mesogenic segment, (2 decomposition of polystyrene and (3 final decomposition of oligoester rigid segment. Both copolymers and polymer blends presented lower thermal stability compared to polystyrene and oligoester. The residual mass after heating at 600 °C in copolymers and polymer blends were lower than those found in the oligoesters. A degradative process of aromatic segments of oligoester induced by decomposition of polystyrene is suggested.

  13. Integrated lasers for polymer Lab-on-a-Chip systems

    DEFF Research Database (Denmark)

    Mappes, Timo; Vannahme, Christoph; Grosmann, Tobias

    2012-01-01

    We develop optical Lab-on-a-Chips on different platforms for marker-based and label-free biophotonic sensor applications. Our chips are based on polymers and fabricated by mass production technologies to integrate microfluidic channels, optical waveguides and miniaturized lasers.......We develop optical Lab-on-a-Chips on different platforms for marker-based and label-free biophotonic sensor applications. Our chips are based on polymers and fabricated by mass production technologies to integrate microfluidic channels, optical waveguides and miniaturized lasers....

  14. Bioresorbable polymer coated drug eluting stent: a model study.

    Science.gov (United States)

    Rossi, Filippo; Casalini, Tommaso; Raffa, Edoardo; Masi, Maurizio; Perale, Giuseppe

    2012-07-02

    In drug eluting stent technologies, an increased demand for better control, higher reliability, and enhanced performances of drug delivery systems emerged in the last years and thus offered the opportunity to introduce model-based approaches aimed to overcome the remarkable limits of trial-and-error methods. In this context a mathematical model was studied, based on detailed conservation equations and taking into account the main physical-chemical mechanisms involved in polymeric coating degradation, drug release, and restenosis inhibition. It allowed highlighting the interdependence between factors affecting each of these phenomena and, in particular, the influence of stent design parameters on drug antirestenotic efficacy. Therefore, the here-proposed model is aimed to simulate the diffusional release, for both in vitro and the in vivo conditions: results were verified against various literature data, confirming the reliability of the parameter estimation procedure. The hierarchical structure of this model also allows easily modifying the set of equations describing restenosis evolution to enhance model reliability and taking advantage of the deep understanding of physiological mechanisms governing the different stages of smooth muscle cell growth and proliferation. In addition, thanks to its simplicity and to the very low system requirements and central processing unit (CPU) time, our model allows obtaining immediate views of system behavior.

  15. Sequence selection by dynamical symmetry breaking in an autocatalytic binary polymer model

    DEFF Research Database (Denmark)

    Fellermann, Harold; Tanaka, Shinpei; Rasmussen, Steen

    2017-01-01

    Template-directed replication of nucleic acids is at the essence of all living beings and a major milestone for any origin of life scenario. We present an idealized model of prebiotic sequence replication, where binary polymers act as templates for their autocatalytic replication, thereby serving...... as each others reactants and products in an intertwined molecular ecology. Our model demonstrates how autocatalysis alters the qualitative and quantitative system dynamics in counterintuitive ways. Most notably, numerical simulations reveal a very strong intrinsic selection mechanism that favors...... the appearance of a few population structures with highly ordered and repetitive sequence patterns when starting from a pool of monomers. We demonstrate both analytically and through simulation how this "selection of the dullest" is caused by continued symmetry breaking through random fluctuations...

  16. On the dynamics of polymers in dense systems - Results of neutron spin echo spectroscopy

    International Nuclear Information System (INIS)

    Richter, D.

    1997-01-01

    One of the basic problems in the dynamics of polymers concerns the importance of geometrical or topological interactions which are directly related to the large scale molecular structures. In the famous reptation model these constraints are pictured in terms of a tube of localization following the average chain profile and confining the chain motion to the curve-linear tube. Recently studying the dynamic structure factor of a single labeled chain in a polymer melt by means of neutron spin echo spectroscopy (NSE) led to a direct observation of these tube constraints. Here I shall summarize these neutron spin echo experiments. I shall address the NSE technique, present results on the entropy driven segmental chain dynamics, discuss the dynamics of single chains in the melt where the chain length is increased through the transition to 'reptation' dynamics and display NSE measurements on long chain systems which revealed the molecular existence of the entanglement distance. Their magnitudes agree very well with tube diameters derived from dynamical mechanical measurements on the basis of the reptation model proving thereby the basic assumption of this Nobel Price winning concept

  17. Numerical Well Testing Interpretation Model and Applications in Crossflow Double-Layer Reservoirs by Polymer Flooding

    Directory of Open Access Journals (Sweden)

    Haiyang Yu

    2014-01-01

    Full Text Available This work presents numerical well testing interpretation model and analysis techniques to evaluate formation by using pressure transient data acquired with logging tools in crossflow double-layer reservoirs by polymer flooding. A well testing model is established based on rheology experiments and by considering shear, diffusion, convection, inaccessible pore volume (IPV, permeability reduction, wellbore storage effect, and skin factors. The type curves were then developed based on this model, and parameter sensitivity is analyzed. Our research shows that the type curves have five segments with different flow status: (I wellbore storage section, (II intermediate flow section (transient section, (III mid-radial flow section, (IV crossflow section (from low permeability layer to high permeability layer, and (V systematic radial flow section. The polymer flooding field tests prove that our model can accurately determine formation parameters in crossflow double-layer reservoirs by polymer flooding. Moreover, formation damage caused by polymer flooding can also be evaluated by comparison of the interpreted permeability with initial layered permeability before polymer flooding. Comparison of the analysis of numerical solution based on flow mechanism with observed polymer flooding field test data highlights the potential for the application of this interpretation method in formation evaluation and enhanced oil recovery (EOR.

  18. Development of Polymer Gel Systems to Improve Volumetric Sweep and Reduce Producing Water/Oil Ratios

    Energy Technology Data Exchange (ETDEWEB)

    G. Paul Willhite; Stan McCool; Don W. Green; Min Cheng; Feiyan Chen

    2005-12-31

    Gelled polymer treatments are applied to oil reservoirs to increase oil production and to reduce water production by altering the fluid movement within the reservoir. This report describes the results of a 42-month research program that focused on the understanding of gelation chemistry and the fundamental mechanisms that alter the flows of oil and water in reservoir rocks after a gel treatment. Work was conducted on a widely applied system in the field, the partially hydrolyzed polyacrylamide-chromium acetate gel. Gelation occurs by network formation through the crosslinking of polyacrylamide molecules as a result of reaction with chromium acetate. Pre-gel aggregates form and grow as reactions between chromium acetate and polyacrylamide proceed. A rate equation that describes the reaction between chromium acetate and polymer molecules was regressed from experimental data. A mathematical model that describes the crosslinking reaction between two polymer molecules as a function of time was derived. The model was based on probability concepts and provides molecular-weight averages and molecular-weight distributions of the pre-gel aggregates as a function of time and initial system conditions. Average molecular weights of pre-gel aggregates were measured as a function of time and were comparable to model simulations. Experimental methods to determine molecular weight distributions of pre-gel aggregates were unsuccessful. Dissolution of carbonate minerals during the injection of gelants causes the pH of the gelant to increase. Chromium precipitates from solution at the higher pH values robbing the gelant of crosslinker. Experimental data on the transport of chromium acetate solutions through dolomite cores were obtained. A mathematical model that describes the transport of brine and chromium acetate solutions through rocks containing carbonate minerals was used to simulate the experimental results and data from literature. Gel treatments usually reduce the permeability

  19. Stripe patterns in a model for block polymers

    NARCIS (Netherlands)

    Peletier, M.A.; Veneroni, M.

    2009-01-01

    We consider a pattern-forming system in two space dimensions defined by an energy Ge. The functional Ge models strong phase separation in AB diblock copolymer melts, and patterns are represented by {0, 1}-valued functions; the values 0 and 1 correspond to the A and B phases. The parameter e is the

  20. Stripe patterns in a model for block polymers

    NARCIS (Netherlands)

    Peletier, M.A.; Veneroni, M.

    2010-01-01

    We consider a pattern-forming system in two space dimensions defined by an energy Ge. The functional Ge models strong phase separation in AB diblock copolymer melts, and patterns are represented by {0, 1}-valued functions; the values 0 and 1 correspond to the A and B phases. The parameter e is the

  1. Diffusion coefficients of tracers in glassy polymer systems prepared by gamma radiolysis

    International Nuclear Information System (INIS)

    Tonge, M.P.; Gilbert, R.G.

    1996-01-01

    Diffusion-controlled reactions are common in free radical polymerisation reactions, especially in glassy polymer matrices. Such reactions commonly have an important influence on the polymerisation process and final polymer properties. For example, the dominant growth-stopping event (bimolecular termination) is generally diffusion-controlled. In glassy polymer systems, where molecular mobility is very low, the chain growth mechanism (propagation) may become diffusion-controlled. At present, the mechanism for propagation in glassy polymers is poorly understood, but it is expected by the Smoluchowski expression applied to propagation to depend strongly on the diffusion coefficient of monomer. The objective of this study is to measure reliable diffusion coefficients of small tracer molecules in glassy polymers, and compare these with propagation rate coefficients in similar systems, by the prediction above. Samples were initially prepared in a sealed sampled cell containing monomer, inert diluent, and tracer dye. After irradiation for several days, complete conversion of monomer to polymer can be obtained. The diffusion coefficients for two tracer dyes have been measured as a function of weight fraction polymer glassy poly(methyl methacrylate) samples

  2. MODELLING OF CHARGE CARRIER MOBILITY FOR TRANSPORT BETWEEN ELASTIC POLYACETYLENE-LIKE POLYMER NANORODS

    Directory of Open Access Journals (Sweden)

    M. Mensik

    2017-03-01

    Full Text Available A quantum model solving the charge carrier mobility between polyacetylene-like polymer nanorods is presented. The model assumes: a Quantum mechanical calculation of hole on-chain delocalization involving electron-phonon coupling leading to the Peierls instability, b Hybridization coupling between the polymer backbone and side-groups (or environmental states, which act as hole traps, and c Semiclassical description of the inter-chain hole transfer in an applied voltage based on Marcus theory. We have found that mobility resonantly depends on the hybridization coupling between polymer and linked groups. We observed also non-trivial mobility dependences on the difference of energies of the highest occupied molecular orbitals localized on the polymer backbone and side-groups, respectively, and hole concentration. Those findings are important for optimization of hybrid opto-electronic devices.

  3. Morphological analysis of polymer systems with broad particle size distribution

    Czech Academy of Sciences Publication Activity Database

    Šlouf, Miroslav; Ostafinska, Aleksandra; Nevoralová, Martina; Fortelný, Ivan

    2015-01-01

    Roč. 42, April (2015), s. 8-16 ISSN 0142-9418 R&D Projects: GA ČR(CZ) GA14-17921S Institutional support: RVO:61389013 Keywords : polymer blends * morphology * image analysis Subject RIV: JJ - Other Materials Impact factor: 2.350, year: 2015

  4. Ceramic/polymer functionally graded material (FGM) lightweight armor system

    Energy Technology Data Exchange (ETDEWEB)

    Petrovic, J.J.; McClellan, K.J.

    1998-12-31

    This is the final report of a two-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Functionally graded material is an enabling technology for lightweight body armor improvements. The objective was to demonstrate the ability to produce functionally graded ceramic-polymer and ceramic-metal lightweight armor materials. This objective involved two aspects. The first and key aspect was the development of graded-porosity boron-carbide ceramic microstructures. The second aspect was the development of techniques for liquid infiltration of lightweight metals and polymers into the graded-porosity ceramic. The authors were successful in synthesizing boron-carbide ceramic microstructures with graded porosity. These graded-porosity boron-carbide hot-pressed pieces were then successfully liquid-infiltrated in vacuum with molten aluminum at 1,300 C, and with liquid polymers at room temperature. Thus, they were able to demonstrate the feasibility of producing boron carbide-aluminum and boron carbide-polymer functionally graded materials.

  5. Vapor-Liquid Equilibrium in Diluted Polymer plus Solvent Systems

    Czech Academy of Sciences Publication Activity Database

    Bogdanić, Grozdana; Wichterle, Ivan

    2011-01-01

    Roč. 56, č. 4 (2011), s. 1080-1083 ISSN 0021-9568 R&D Projects: GA ČR GA104/07/0444 Grant - others:MZOŠ(HR) 061-0000000-3029 Institutional research plan: CEZ:AV0Z40720504 Keywords : polymer * prediction * total pressure Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.693, year: 2011

  6. The coiled coil motif in polymer drug delivery systems

    Czech Academy of Sciences Publication Activity Database

    Pechar, Michal; Pola, Robert

    2013-01-01

    Roč. 31, č. 1 (2013), s. 90-96 ISSN 0734-9750 R&D Projects: GA ČR GA203/08/0543; GA MŠk 1M0505 Institutional research plan: CEZ:AV0Z40500505 Keywords : coiled coil * hydrophilic polymer * recombinant protein Subject RIV: CD - Macromolecular Chemistry Impact factor: 8.905, year: 2013

  7. Heterogeneous nucleation of polymorphs on polymer surfaces: polymer-molecule interactions using a Coulomb and van der Waals model.

    Science.gov (United States)

    Wahlberg, Nanna; Madsen, Anders Ø; Mikkelsen, Kurt V

    2018-06-09

    The nucleation processes of acetaminophen on poly(methyl methacrylate) and poly(vinyl acetate) have been investigated and the mechanisms of the processes are studied. This is achieved by a combination of theoretical models and computational investigations within the framework of a modified QM/MM method; a Coulomb-van der Waals model. We have combined quantum mechanical computations and electrostatic models at the atomistic level for investigating the stability of different orientations of acetaminophen on the polymer surfaces. Based on the Coulomb-van der Waals model, we have determined the most stable orientation to be a flat orientation, and the strongest interaction is seen between poly(vinyl acetate) and the molecule in a flat orientation in vacuum.

  8. Enhanced non-volatile and updatable holography using a polymer composite system.

    Science.gov (United States)

    Wu, Pengfei; Sun, Sam Q; Baig, Sarfaraz; Wang, Michael R

    2012-03-12

    Updatable holography is considered as the ultimate technique for true 3D information recording and display. However, there is no practical solution to preserve the required features of both non-volatility and reversibility which conflict with each other when the reading has the same wavelength as the recording. We demonstrate a non-volatile and updatable holographic approach by exploiting new features of molecular transformations in a polymer recording system. In addition, by using a new composite recording film containing photo-reconfigurable liquid-crystal (LC) polymer, the holographic recording is enhanced due to the collective reorientation of LC molecules around the reconfigured polymer chains.

  9. Modelling of the thermal conductivity in polymer nanocomposites and the impact of the interface between filler and matrix

    International Nuclear Information System (INIS)

    Kochetov, R; Andritsch, T; Morshuis, P H F; Smit, J J; Korobko, A V; Picken, S J

    2011-01-01

    In this paper the thermal conductivity of epoxy-based composite materials is analysed. Two- and three-phase Lewis-Nielsen models are proposed for fitting the experimental values of the thermal conductivity of epoxy-based polymer composites. Various inorganic nano- and micro- particles were used, namely aluminium oxide, aluminium nitride, magnesium oxide and silicon dioxide with average particle size between 20 nm and 20 μm. It is shown that the filler-matrix interface plays a dominant role in the thermal conduction process of the nanocomposites. The two-phase model was proposed as an initial step for describing systems containing 2 constituents, i.e. an epoxy matrix and an inorganic filler. The three-phase model was introduced to specifically address the properties of the interfacial zone between the host polymer and the surface modified nanoparticles.

  10. 3D printing of CNT- and graphene-based conductive polymer nanocomposites by fused deposition modeling

    OpenAIRE

    Gnanasekaran, K.; Heijmans, T.; van Bennekom, S.; Woldhuis, H.; Wijnia, S.; de With, G.; Friedrich, H.

    2017-01-01

    Fused deposition modeling (FDM) is limited by the availability of application specific functional materials. Here we illustrate printing of non-conventional polymer nanocomposites (CNT- and graphene-based polybutylene terephthalate (PBT)) on a commercially available desktop 3D printer leading toward printing of electrically conductive structures. The printability, electrical conductivity and mechanical stability of the polymer nanocomposites before and after 3D printing was evaluated. The res...

  11. Particle-in-a-box model of exciton absorption and electroabsorption in conjugated polymers

    Science.gov (United States)

    Pedersen, Thomas G.

    2000-12-01

    The recently proposed particle-in-a-box model of one-dimensional excitons in conjugated polymers is applied in calculations of optical absorption and electroabsorption spectra. It is demonstrated that for polymers of long conjugation length a superposition of single exciton resonances produces a line shape characterized by a square-root singularity in agreement with experimental spectra near the absorption edge. The effects of finite conjugation length on both absorption and electroabsorption spectra are analyzed.

  12. Synthesis of the Markov model of the thermochemical degradation of a polymer in solution

    Directory of Open Access Journals (Sweden)

    V. K. Bityukov

    2017-01-01

    Full Text Available The paper deals with the problem of mathematical modeling of thermochemical destruction process. The apparatus of Markov's chains is used to synthesize a mathematical model. The authors of the study suggest to consider the destruction process as a random one, where the system state changes, which is characterized by the proportion of macromolecules in each fraction of the molecular- and weight distribution. The intensities of transitions from one state to another characterize the corresponding rates of destruction processes for each fraction of the molecular- and weight distribution. The processes of crosslinking and polymerization in this work were neglected, and it was accepted that there is a probability of transition from any state with a lower order index (corresponding to fractions with higher molecular weights to any state with a higher index (corresponding to fractions with lower molecular weights. Markov's chain with discrete states and continuous time was taken as the mathematical model basis. Interactive graphical simulation environment MathWorksSimulink was used as a simulation environment. Experimental studies of polybutadiene destruction in solution were carried out to evaluate the mathematical model parameters. The GPC (gel-penetration chromatography data of the polybutadiene solution were used as the initial (starting data for estimating the polymer WMD (molecular weight distribution. Mean-square deviation of the calculated data from the experimental data for each fraction and at specified times was minimized for the numerical search of parameter values. The results of comparison of experimental and calculated on mathematical model data showed an error of calculations on the average about 5%, which indicates an acceptable error in estimating of polymer fractions proportions change during the process of destruction for the process under consideration and conditions.

  13. Rheology of multiphase polymer systems using novel "melt rigidity" evaluation approach

    Science.gov (United States)

    Kracalik, Milan

    2015-04-01

    Multiphase polymer systems like blends, composites and nanocomposites exhibit complex rheological behaviour due to physical and also possibly chemical interactions between individual phases. Up to now, rheology of heterogeneous polymer systems has been usually described by evaluation of viscosity curve (shear thinning phenomenon), storage modulus curve (formation of secondary plateau) or plotting information about damping behaviour (e.g. Van Gurp-Palmen-plot). On the contrary to evaluation of damping behaviour, "melt rigidity" approach has been introduced for description of physical network of rigid particles in polymer matrix as relation of ∫G'/∫G" over specific frequency range. This approach has been experimentally proved for polymer nanocomposites in order to compare shear flow characteristics with elongational flow field. In this contribution, LDPE-clay nanocomposites with different dispersion grades (physical networks) have been prepared and characterized by both conventional as well as novel "melt rigidity" approach.

  14. Molecular modeling studies of interactions between sodium polyacrylate polymer and calcite surface

    Energy Technology Data Exchange (ETDEWEB)

    Ylikantola, A. [University of Jyväskylä, Department of Chemistry, P.O. Box 35, University of Jyväskylä, FI-40014 (Finland); Linnanto, J., E-mail: juha.m.linnanto@gmail.com [University of Jyväskylä, Department of Chemistry, P.O. Box 35, University of Jyväskylä, FI-40014 (Finland); University of Tartu, Institute of Physics, Riia 142, EE-51014 Tartu (Estonia); Knuutinen, J.; Oravilahti, A. [University of Jyväskylä, Department of Chemistry, P.O. Box 35, University of Jyväskylä, FI-40014 (Finland); Toivakka, M. [Åbo Akademi University, Laboratory of Paper Coating and Converting and Center for Functional Materials, FI-20500 Turku/Åbo (Finland)

    2013-07-01

    The interactions between calcite pigment and sodium polyacrylate dispersing agent, widely used in papermaking as paper coating components, were investigated using classical force field and quantum chemical approaches. The objective was to understand interactions between the calcite surface and sodium polyacrylate polymer at 300 K using molecular dynamics simulations. A quantum mechanical ab initio Hartree–Fock method was also used to obtain detailed information about the sodium polyacrylate polymer structure. The effect of water molecules (moisture) on the interactions was also examined. Calculations showed that molecular weight, branching and the orientation of sodium polyacrylate polymers influence the interactions between the calcite surface and the polymer. The force field applied, and also water molecules, were found to have an impact on all systems studied. Ab initio Hartree–Fock calculations indicated that there are two types of coordination between sodium atoms and carboxylate groups of the sodium polyacrylate polymer, inter- and intra-carboxylate group coordination. In addition, ab initio Hartree–Fock calculations of the structure of the sodium polyacrylate polymer produced important information regarding interactions between the polymers and carboxylated styrene-butadiene latex particles.

  15. Multiscale modelling of a composite electroactive polymer structure

    Science.gov (United States)

    Wang, P.; Lassen, B.; Jones, R. W.; Thomsen, B.

    2010-12-01

    Danfoss PolyPower has developed a tubular actuator comprising a dielectric elastomer sheet with specially shaped compliant electrodes rolled into a tube. This paper is concerned with the modelling of this kind of tubular actuator. This is a challenging task due to the system's multiscale nature which is caused by the orders of magnitude difference between the length and thickness of the sheets as well as the thickness of the electrodes and the elastomer in the sheets. A further complication is the presence of passive parts at both ends of the actuator, i.e. areas without electrodes which are needed in order to avoid short circuits between negative and positively charged electrodes on the two sides of the sheet. Due to the complexities in shape and size it is necessary to introduce some simplifying assumptions. This paper presents a set of models where the three-dimensional problem has been reduced to two-dimensional problems, ensuring that the resulting models can be handled numerically within the framework of the finite element method. These models have been derived by expressing Navier's equation in elliptical cylindrical coordinates in order to take full advantage of the special shape of these actuators. Emphasis is placed on studying the passive parts of the actuator, as these degrade the effectiveness of the actuator. Two approaches are used here to model the passive parts: a spring-stiffness analogy model and a longitudinal section model of the actuator. The models have been compared with experimental results for the force-elongation characteristics of the commercially available PolyPower 'InLastor push' actuator. The comparison shows good agreement between model and experiments for the case where the passive parts were taken into account. One of the models developed is subsequently used to study geometric effects—specifically the effect of changing the ellipticity of the tubular actuator on the actuator's performance is investigated.

  16. Simple kinetic model of ion induced gas emission from polymers

    Czech Academy of Sciences Publication Activity Database

    Hnatowicz, Vladimír

    2004-01-01

    Roč. 215, 1/2 (2004), s. 162-168 ISSN 0168-583X R&D Projects: GA ČR GA106/03/0514; GA AV ČR IAA5011301 Institutional research plan: CEZ:AV0Z1048901 Keywords : polymers * ion irradiation * degradation Subject RIV: BG - Nuclear, Atomic and Molecular Physics, Colliders Impact factor: 0.997, year: 2004

  17. Integrated Modeling of Polymer Composites Under High Energy Laser Irradiation

    Science.gov (United States)

    2015-10-30

    Toyota , K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E...Resolution Mapping of Thermal History in Polymer Nanocomposites: Gold Nanorods as Microscale Temperature Sensors W. Joshua Kennedy,†,‡ Keith A. Slinker...of the AuNRs will not be strongly dependent on temperature history . Thus, the final aspect ratio of the AuNRs after heating in a given environment is

  18. Impregnation and Polymerization Methods and Systems Used in the Production of Wood-Polymer Materials

    Energy Technology Data Exchange (ETDEWEB)

    Mott, W. E.; Rotariu, G. J. [United States Atomic Energy Commission, Washington, DC 20545 (United States)

    1968-10-15

    Studies on the radiation production of wood-polymer materials began in the United States in 1961 at West Virginia University and have continued until today. In this paper the impregnation and polymerization methods and systems that have evolved from these studies are reviewed. Included is a description of the procedures developed at the College of Forestry, Syracuse University, for producing wood-polymers via a thermal-catalytic process. (author)

  19. Analytical Modeling of the High Strain Rate Deformation of Polymer Matrix Composites

    Science.gov (United States)

    Goldberg, Robert K.; Roberts, Gary D.; Gilat, Amos

    2003-01-01

    The results presented here are part of an ongoing research program to develop strain rate dependent deformation and failure models for the analysis of polymer matrix composites subject to high strain rate impact loads. State variable constitutive equations originally developed for metals have been modified in order to model the nonlinear, strain rate dependent deformation of polymeric matrix materials. To account for the effects of hydrostatic stresses, which are significant in polymers, the classical 5 plasticity theory definitions of effective stress and effective plastic strain are modified by applying variations of the Drucker-Prager yield criterion. To verify the revised formulation, the shear and tensile deformation of a representative toughened epoxy is analyzed across a wide range of strain rates (from quasi-static to high strain rates) and the results are compared to experimentally obtained values. For the analyzed polymers, both the tensile and shear stress-strain curves computed using the analytical model correlate well with values obtained through experimental tests. The polymer constitutive equations are implemented within a strength of materials based micromechanics method to predict the nonlinear, strain rate dependent deformation of polymer matrix composites. In the micromechanics, the unit cell is divided up into a number of independently analyzed slices, and laminate theory is then applied to obtain the effective deformation of the unit cell. The composite mechanics are verified by analyzing the deformation of a representative polymer matrix composite (composed using the representative polymer analyzed for the correlation of the polymer constitutive equations) for several fiber orientation angles across a variety of strain rates. The computed values compare favorably to experimentally obtained results.

  20. 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.

  1. Numerical study of viscoelastic polymer flow in simplified pore structures using stabilised finite element model

    Energy Technology Data Exchange (ETDEWEB)

    Qi, M.; Wegner, J.; Ganzer, L. [Technische Univ. Clausthal, Clausthal-Zellerfeld (Germany). ITE

    2013-08-01

    Polymer flooding, as an EOR method, has become one of the most important driving forces after water flooding. The conventional believe is that polymer flooding can only improve sweep efficiency, but it has no contribution to residual oil saturation reduction. However, experimental studies indicated that polymer solution can also improve displacement efficiency and decrease residual oil saturation. To get a better understanding of the mechanism to increase the microscopic sweep efficiency and the displacement efficiency, theoretical studies are required. In this paper, we studied the viscoelasticity effect of polymer by using a numerical simulator, which is based on Finite Element Analysis. Since it is showed experimentally that the first normal stress difference of viscoelastic polymer solution is higher than the second stress difference, the Oldroyd-B model was selected as the constitutive equation in the simulation. Numerical modelling of Oldroyd-B viscoelastic fluids is notoriously difficult. Standard Galerkin finite element methods are prone to numerical oscillations, and there is no convergence as the elasticity of fluid increases. Therefore, we use a stabilised finite element model. In order to verify our model, we first built up a model with the same geometry and fluid properties as presented in literature and compared the results. Then, with the tested model we simulated the effect of viscoelastic polymer fluid on dead pores in three simplified pore structures, which are contraction structure, expansion structure and expansion-contraction structure. Correspondingly, the streamlines and velocity contours of polymer solution, with different Reynolds numbers (Re) and Weissenberg numbers (We), flowing in these three structures are showed. The simulation results indicate that the viscoelasticity of polymer solution is the main contribution to increase the micro-scale sweep efficiency. With higher elasticity, the velocity of polymer solution is getting bigger at

  2. Hemocompatibility of ultrafine systems on the basis of chitosan and its derivatives polymer-colloid complexes

    Directory of Open Access Journals (Sweden)

    M.V. Bazunova

    2015-03-01

    Full Text Available This article presents the results of the development process for the preparation of micro and nano-sized polymer-colloid com-plexes (РСС on the basis of water-soluble natural polymer chitosan (СTZ and the sodium salt of chitosan succinylamid (SСTZ with silver halide sols in aqueous media. Results of research of СTZ, sodium salt of SСTZ solutions and PСС of CTZ and SСTZ with colloidal parti-cles of silver iodide influence on structurally-functional properties of erythrocytes’ membranes on model of acidic hemolisis are presented in the article. Their influence on the nature of erythrocytes distribution by degree of their stability and on kinetic parameters (the beginning, intensity and completion of process of their destruction under the influence of the damaging agent (HCl is shown. The comparative analysis of results convinces that СTZ, SСTZ solutions and disperse systems on the basis of PСС of СTZ and SСTZ with colloidal particles of the silver iodide are capable of modulating variously matrix properties of erythrocytes of blood.

  3. New neuro-fuzzy system-based holey polymer fibers drawing process

    Science.gov (United States)

    Mohammed Salim, Omar Nameer

    2017-10-01

    Furnace temperature (T), draw tension (TE), and draw ratio (Dr) are the main parameters that could directly affect holey polymer fiber (HPF) production during the drawing stage. Therefore, a suitable mechanism to control (T), (TE), and (Dr) is required to enhance the HPF production process. The conventional approaches, such as observation and tuning technique, experience many difficulties in realizing the accurate values of (T), (TE), and (Dr) in addition to being expensive and time consuming. Therefore, an artificial intelligence model using the adaptive neuro-fuzzy system (ANFIS) method is proposed as an effective solution to achieve an accurate value of the main parameters that affect HPF drawing. Three ANFIS models are developed and tested to determine which one has the best performance for emulating the operation of HPF drawing tower. The ANFIS model with a gbell MF provides a better performance than Gaussian MF ANFIS model and triangular MF ANFIS model in terms of lower mean absolute error and mean square error. Furthermore, the proposed gbell MF model achieved the highest Q-Q response, which indicates the excellent performance of this model.

  4. Numerical simulation of a lattice polymer model at its integrable point

    International Nuclear Information System (INIS)

    Bedini, A; Owczarek, A L; Prellberg, T

    2013-01-01

    We revisit an integrable lattice model of polymer collapse using numerical simulations. This model was first studied by Blöte and Nienhuis (1989 J. Phys. A: Math. Gen. 22 1415) and it describes polymers with some attraction, providing thus a model for the polymer collapse transition. At a particular set of Boltzmann weights the model is integrable and the exponents ν = 12/23 ≈ 0.522 and γ = 53/46 ≈ 1.152 have been computed via identification of the scaling dimensions x t = 1/12 and x h = −5/48. We directly investigate the polymer scaling exponents via Monte Carlo simulations using the pruned-enriched Rosenbluth method algorithm. By simulating this polymer model for walks up to length 4096 we find ν = 0.576(6) and γ = 1.045(5), which are clearly different from the predicted values. Our estimate for the exponent ν is compatible with the known θ-point value of 4/7 and in agreement with very recent numerical evaluation by Foster and Pinettes (2012 J. Phys. A: Math. Theor. 45 505003). (paper)

  5. Equivalent parameter model of 1-3 piezocomposite with a sandwich polymer

    Science.gov (United States)

    Zhang, Yanjun; Wang, Likun; Qin, Lei

    2018-06-01

    A theoretical model was developed to investigate the performance of 1-3 piezoelectric composites with a sandwich polymer. Effective parameters, such as the electromechanical coupling factor, longitudinal velocity, and characteristic acoustic impedance of the piezocomposite, were predicted using the developed model. The influences of volume fractions and components of the polymer phase on the effective parameters of the piezoelectric composite were studied. The theoretical model was verified experimentally. The proposed model can reproduce the effective parameters of 1-3 piezoelectric composites with a sandwich polymer in the thickness mode. The measured electromechanical coupling factor was improved by more than 9.8% over the PZT/resin 1-3 piezoelectric composite.

  6. Extensive EIS characterization of commercially available lithium polymer battery cell for performance modelling

    DEFF Research Database (Denmark)

    Stanciu, Tiberiu; Stroe, Daniel Loan; Teodorescu, Remus

    2015-01-01

    or degradation of an electrochemical system. Used for Lithium-ion (Li-ion) batteries, this method allows for a fast and accurate assessment of the battery's impedance at any working point, without modifying the state of the battery. The influence of the operating conditions, state of charge (SOC) and temperature...... on the performance of a commercially available 53 Ah Lithium polymer battery cell, manufactured by Kokam Co. Ltd., is investigated in laboratory experiments, at its beginning of life, by means of EIS. A data fitting algorithm was used to obtain the parameter values for the proposed equivalent electrical circuit......, which was further selected for the development of an accurate EIS based performance model for the chosen Li-ion battery cell....

  7. Multiscale Modeling at Nanointerfaces: Polymer Thin Film Materials Discovery via Thermomechanically Consistent Coarse Graining

    Science.gov (United States)

    Hsu, David D.

    Due to high nanointerfacial area to volume ratio, the properties of "nanoconfined" polymer thin films, blends, and composites become highly altered compared to their bulk homopolymer analogues. Understanding the structure-property mechanisms underlying this effect is an active area of research. However, despite extensive work, a fundamental framework for predicting the local and system-averaged thermomechanical properties as a function of configuration and polymer species has yet to be established. Towards bridging this gap, here, we present a novel, systematic coarse-graining (CG) method which is able to capture quantitatively, the thermomechanical properties of real polymer systems in bulk and in nanoconfined geometries. This method, which we call thermomechanically consistent coarse-graining (TCCG), is a two-bead-per-monomer CG hybrid approach through which bonded interactions are optimized to match the atomistic structure via the Iterative Boltzmann Inversion method (IBI), and nonbonded interactions are tuned to macroscopic targets through parametric studies. We validate the TCCG method by systematically developing coarse-grain models for a group of five specialized methacrylate-based polymers including poly(methyl methacrylate) (PMMA). Good correlation with bulk all-atom (AA) simulations and experiments is found for the temperature-dependent glass transition temperature (Tg) Flory-Fox scaling relationships, self-diffusion coefficients of liquid monomers, and modulus of elasticity. We apply this TCCG method also to bulk polystyrene (PS) using a comparable coarse-grain CG bead mapping strategy. The model demonstrates chain stiffness commensurate with experiments, and we utilize a density-correction term to improve the transferability of the elastic modulus over a 500 K range. Additionally, PS and PMMA models capture the unexplained, characteristically dissimilar scaling of Tg with the thickness of free-standing films as seen in experiments. Using vibrational

  8. Electro-Optical Parameters Of Hairy Rod Polymer/Dimethylformamide System

    International Nuclear Information System (INIS)

    Spasevska, Hristina

    2003-01-01

    Rigid rod polymers are materials with special features, that is the reason why they have large scientific and technological applications like isotropic-nematic and other types of transition. One of the biggest problems that happen while investigation to these polymers, at molecular level, is their poor solubility in most of the common solvents. Solubility gets better if while synthesize junctions flexible side chains, [1]. Remaining polymers belong on one new class - hairy rod polymers and have big potential for their technological applications. Because of their nonlinear optical properties and opportunity for self-organization in super molecular structures (films and fibers), can be used in electronics and telecommunications industry either at display-technologies [2]. That is the main reason why controlling the remaining polymer features and connection of their microscopic and macroscopic characteristics, like an complete characterization (in solutions and solid state) is from essential scientific interest, actually it is an imperative. The polymer POD-2/that is subject of investigation, bellows to hairy rod polymers and it is synthesized for the first time [3] by giving a support to their characterization. Measures on diluted solutions from the system POD-2/dimethylformamide are made by the method electric birefringence, at three temperatures (25, 40 and 55 o C). For different concentrations on system, from obtained electro-optical signals (EOS), dependence on electric birefringence (Δn) against applied electric field (E 2 ), is determined. By investigation of electro-optical effects, especially studding the way of their maintenance and losing, while applying electric square impulses, relaxation time τ o of polymer molecules is calculated. From these parameters, as presented data for EOS rise and decay too, deformational electro-optical effect has been determined. (Author)

  9. Crack growth modeling in a specimen with polymer weld

    Czech Academy of Sciences Publication Activity Database

    Ševčík, Martin; Hutař, Pavel; Náhlík, Luboš; Lach, R.; Knésl, Zdeněk; Grellmann, W.

    488-489, č. 1 (2012), s. 158-161 ISSN 1013-9826. [International Conference on Fracture and Damage Mechanics - FDM 2011 /10./. Dubrovník, 19.09.2011-21.09.2011] R&D Projects: GA ČR GC101/09/J027; GA ČR GD106/09/H035 Institutional research plan: CEZ:AV0Z20410507 Keywords : polymer weld * crack propagation * graded structure * fracture mechanics Subject RIV: JL - Materials Fatigue, Friction Mechanics

  10. Economics of Direct Hydrogen Polymer Electrolyte Membrane Fuel Cell Systems

    Energy Technology Data Exchange (ETDEWEB)

    Mahadevan, Kathyayani

    2011-10-04

    Battelle's Economic Analysis of PEM Fuel Cell Systems project was initiated in 2003 to evaluate the technology and markets that are near-term and potentially could support the transition to fuel cells in automotive markets. The objective of Battelle?s project was to assist the DOE in developing fuel cell systems for pre-automotive applications by analyzing the technical, economic, and market drivers of direct hydrogen PEM fuel cell adoption. The project was executed over a 6-year period (2003 to 2010) and a variety of analyses were completed in that period. The analyses presented in the final report include: Commercialization scenarios for stationary generation through 2015 (2004); Stakeholder feedback on technology status and performance status of fuel cell systems (2004); Development of manufacturing costs of stationary PEM fuel cell systems for backup power markets (2004); Identification of near-term and mid-term markets for PEM fuel cells (2006); Development of the value proposition and market opportunity of PEM fuel cells in near-term markets by assessing the lifecycle cost of PEM fuel cells as compared to conventional alternatives used in the marketplace and modeling market penetration (2006); Development of the value proposition of PEM fuel cells in government markets (2007); Development of the value proposition and opportunity for large fuel cell system application at data centers and wastewater treatment plants (2008); Update of the manufacturing costs of PEM fuel cells for backup power applications (2009).

  11. Optical methods for the optimization of system SWaP-C using aspheric components and advanced optical polymers

    Science.gov (United States)

    Zelazny, Amy; Benson, Robert; Deegan, John; Walsh, Ken; Schmidt, W. David; Howe, Russell

    2013-06-01

    We describe the benefits to camera system SWaP-C associated with the use of aspheric molded glasses and optical polymers in the design and manufacture of optical components and elements. Both camera objectives and display eyepieces, typical for night vision man-portable EO/IR systems, are explored. We discuss optical trade-offs, system performance, and cost reductions associated with this approach in both visible and non-visible wavebands, specifically NIR and LWIR. Example optical models are presented, studied, and traded using this approach.

  12. Solubility of gases and solvents in silicon polymers: molecular simulation and equation of state modeling

    DEFF Research Database (Denmark)

    Economou, Ioannis; Makrodimitri, Zoi A.; Kontogeorgis, Georgios

    2007-01-01

    of gas and solvent solubilities using the test particle insertion method of Widom. Polymer chains are modelled using recently developed realistic atomistic force fields. Calculations are performed at various temperatures and ambient pressure. A crossover in the temperature dependence of solubility......) and also the phase equilibria of these mixtures over a wide composition range. In all cases, the agreement between model predictions/correlations and literature experimental data, when available, is excellent.......The solubility of n-alkanes, perfluoroalkanes, noble gases and light gases in four elastomer polymers containing silicon is examined based on molecular simulation and macroscopic equation of state modelling. Polymer melt samples generated from molecular dynamics ( MD) are used for the calculation...

  13. Static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation.

    Science.gov (United States)

    Liu, Jun; Zhang, Liqun; Cao, Dapeng; Wang, Wenchuan

    2009-12-28

    Polymer nanocomposites (PNCs) often exhibit excellent mechanical, thermal, electrical and optical properties, because they combine the performances of both polymers and inorganic or organic nanoparticles. Recently, computer modeling and simulation are playing an important role in exploring the reinforcement mechanism of the PNCs and even the design of functional PNCs. This report provides an overview of the progress made in past decades in the investigation of the static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation. Emphases are placed on exploring the mechanisms at the molecular level for the dispersion of nanoparticles in nanocomposites, the effects of nanoparticles on chain conformation and glass transition temperature (T(g)), as well as viscoelastic and mechanical properties. Finally, some future challenges and opportunities in computer modeling and simulation of PNCs are addressed.

  14. Precise control of polymer coated nanopores by nanoparticle additives: Insights from computational modeling

    Energy Technology Data Exchange (ETDEWEB)

    Eskandari Nasrabad, Afshin; Coalson, Rob D. [Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States); Jasnow, David [Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, Pennsylvania 15260 (United States); Zilman, Anton [Department of Physics, University of Toronto, Toronto, Ontario M5S 1A7 (Canada)

    2016-08-14

    Polymer-nanoparticle composites are a promising new class of materials for creation of controllable nano-patterned surfaces and nanopores. We use coarse-grained molecular dynamics simulations augmented with analytical theory to study the structural transitions of surface grafted polymer layers (brushes) induced by infiltration of nanoparticles that are attracted to the polymers in the layer. We systematically compare two different polymer brush geometries: one where the polymer chains are grafted to a planar surface and the other where the chains are grafted to the inside of a cylindrical nanochannel. We perform a comprehensive study of the effects of the material parameters such as the polymer chain length, chain grafting density, nanoparticle size, strength of attraction between nanoparticles and polymer monomers, and, in the case of the cylindrically grafted brush, the radius of the cylinder. We find a very general behavioral motif for all geometries and parameter values: the height of the polymer brush is non-monotonic in the nanoparticle concentration in solution. As the nanoparticle concentration increases, the brush height first decreases and after passing through a minimum value begins to increase, resulting in the swelling of the nanoparticle infused brush. These morphological features may be useful for devising tunable “smart” nano-devices whose effective dimensions can be reversibly and precisely adjusted by changing the nanoparticle concentration in solution. The results of approximate Self-Consistent Field Theory (SCFT) calculations, applicable in the regime of strong brush stretching, are compared to the simulation results. The SCFT calculations are found to be qualitatively, even semi-quantitatively, accurate when applied within their intended regime of validity, and provide a useful and efficient tool for modeling such materials.

  15. Modeling and analysis rheology of polymers for application in technologies “self-crimping” and its adaptation to the practices of Polymer Materials Engineering

    OpenAIRE

    N. Montanes; L. Sánchez-Nacher; M.J. Reig; O. Fenollar; T. Boronat

    2017-01-01

    [EN] Polymers are manufactured in molted state, so the rheological properties are mandatory in order to analyzeand evaluate its processability. The prediction of the viscoelastic response of a material and the simulationof the behavior of the same when it is processed is achieved with the application of the rheological models.In the preparation by extrusion of bicomponent polymer bers with self-crimping e ect it is essentialthat the two components have the same viscosity...

  16. Manufacturing routes for disposable polymer blood diagnostic microfluidic systems

    DEFF Research Database (Denmark)

    Tosello, Guido; Griffiths, Christian; Azcarate, Sabino

    2008-01-01

    (Multi-Material Micro Manufacture) that are relevant to the technology for disposable polymer parts for Micro-Tele-BioChip (µTBC) medical platforms. Combining two separation mechanisms a novel micro channel design was developed. The separation unit is based on a micro channel bend structure where typical...... channel dimensions are 20 µm for the plasma channel width, and 50-75 µm for the cell channel. The height of all channels is 100 µm. The micro channel bend works simply on physical and hydrodynamic separation mechanisms without integrated actuators like pumps or valves. For the mass-fabrication of low...

  17. Molecular modeling of polymer composite-analyte interactions in electronic nose sensors

    Science.gov (United States)

    Shevade, A. V.; Ryan, M. A.; Homer, M. L.; Manfreda, A. M.; Zhou, H.; Manatt, K. S.

    2003-01-01

    We report a molecular modeling study to investigate the polymer-carbon black (CB) composite-analyte interactions in resistive sensors. These sensors comprise the JPL electronic nose (ENose) sensing array developed for monitoring breathing air in human habitats. The polymer in the composite is modeled based on its stereoisomerism and sequence isomerism, while the CB is modeled as uncharged naphthalene rings with no hydrogens. The Dreiding 2.21 force field is used for the polymer, solvent molecules and graphite parameters are assigned to the carbon black atoms. A combination of molecular mechanics (MM) and molecular dynamics (NPT-MD and NVT-MD) techniques are used to obtain the equilibrium composite structure by inserting naphthalene rings in the polymer matrix. Polymers considered for this work include poly(4-vinylphenol), polyethylene oxide, and ethyl cellulose. Analytes studied are representative of both inorganic and organic compounds. The results are analyzed for the composite microstructure by calculating the radial distribution profiles as well as for the sensor response by predicting the interaction energies of the analytes with the composites. c2003 Elsevier Science B.V. All rights reserved.

  18. Polymer brushes: a controllable system with adjustable glass transition temperature of fragile glass formers.

    Science.gov (United States)

    Xie, Shi-Jie; Qian, Hu-Jun; Lu, Zhong-Yuan

    2014-01-28

    We present results of molecular dynamics simulations for coarse-grained polymer brushes in a wide temperature range to investigate the factors that affect the glass transition in these systems. We focus on the influences of free surface, polymer-substrate interaction strength, grafting density, and chain length not only on the change of glass transition temperature Tg, but also the fragility D of the glass former. It is found that the confinement can enhance the dependence of the Tg on the cooling rate as compared to the bulk melt. Our layer-resolved analysis demonstrates that it is possible to control the glass transition temperature Tg of polymer brushes by tuning the polymer-substrate interaction strength, the grafting density, and the chain length. Moreover, we find quantitative differences in the influence range of the substrate and the free surface on the density and dynamics. This stresses the importance of long range cooperative motion in glass formers near the glass transition temperature. Furthermore, the string-like cooperative motion analysis demonstrates that there exists a close relation among glass transition temperature Tg, fragility D, and string length ⟨S⟩. The polymer brushes that possess larger string length ⟨S⟩ tend to have relatively higher Tg and smaller D. Our results suggest that confining a fragile glass former through forming polymer brushes changes not only the glass transition temperature Tg, but also the very nature of relaxation process.

  19. A review study of (bio)sensor systems based on conducting polymers.

    Science.gov (United States)

    Ates, Murat

    2013-05-01

    This review article concentrates on the electrochemical biosensor systems with conducting polymers. The area of electro-active polymers confined to different electrode surfaces has attracted great attention. Polymer modified carbon substrate electrodes can be designed through polymer screening to provide tremendous improvements in sensitivity, selectivity, stability and reproducibility of the electrode response to detect a variety of analytes. The electro-active films have been used to entrap different enzymes and/or proteins at the electrode surface, but without obvious loss of their bioactivity for the development of biosensors. Electropolymerization is a well-known technique used to immobilize biomaterials to the modified electrode surface. Polymers might be covalently bonding to enzymes or proteins; therefore, thickness, permeation and charge transport characteristics of the polymeric films can be easily and precisely controlled by modulating the electrochemical parameters for various electrochemical techniques, such as chronoamperometry, chronopotentiometry, cyclic voltammetry, and differential pulse voltammetry. This review article is divided into three main parts as given in the table of contents related to the immobilization process of some important conducting polymers, polypyrrole, polythiophene, poly(3,4-ethylenedioxythiophene), polycarbazole, polyaniline, polyphenol, poly(o-phenylenediamine), polyacetylene, polyfuran and their derivatives. A total of 216 references are cited in this review article. The literature reviewed covers a 7 year period beginning from 2005. Copyright © 2013 Elsevier B.V. All rights reserved.

  20. Study and modeling of heat transfer during the solidification of semi-crystalline polymers

    Energy Technology Data Exchange (ETDEWEB)

    Le Goff, R.; Poutot, G.; Delaunay, D. [Laboratoire de Thermocinetique de l' ecole polytechnique de l' universite de Nantes, UMR CNRS 6607, rue Christian Pauc, BP 50609 44306 Nantes cedex 3 (France); Fulchiron, R.; Koscher, E. [Laboratoire des Materiaux Polymeres et des Biomateriaux, IMP/UMR CNRS 5627, Universite Claude Bernard, Lyon 1, 69622 Villeurbanne Cedex (France)

    2005-12-01

    Semi-crystalline polymers are materials whose behavior during their cooling is difficult to model because of the strong coupling between the crystallization, heat transfer, pressure and shear. Thanks to two original apparatus we study solidification of such a polymer without shear. Firstly the comparison between experimental results and a numerical model will permit to validate crystallization kinetic for cooling rate reachable by DSC. The second experiment makes it possible to analyze solidification for high cooling rate, corresponding to some manufacturing processes. It appears that crystallization has an influence on the thermal contact resistance. (author)

  1. Calculation of the band structure of 2d conducting polymers using the network model

    International Nuclear Information System (INIS)

    Sabra, M. K.; Suman, H.

    2007-01-01

    the network model has been used to calculate the band structure the gap energy and Fermi level of conducting polymers in two dimensions. For this purpose, a geometrical classification of possible polymer chains configurations in two dimensions has been introduced leading to a classification of the unit cells based on the number of bonds in them. The model has been applied to graphite in 2D, represented by a three bonds unit cell, and, as a new case, the anti-parallel Polyacetylene chains (PA) in two dimensions, represented by a unit cell with four bons. The results are in good agreement with the first principles calculations. (author)

  2. Statistical mechanics of directed models of polymers in the square lattice

    CERN Document Server

    Rensburg, J V

    2003-01-01

    Directed square lattice models of polymers and vesicles have received considerable attention in the recent mathematical and physical sciences literature. These are idealized geometric directed lattice models introduced to study phase behaviour in polymers, and include Dyck paths, partially directed paths, directed trees and directed vesicles models. Directed models are closely related to models studied in the combinatorics literature (and are often exactly solvable). They are also simplified versions of a number of statistical mechanics models, including the self-avoiding walk, lattice animals and lattice vesicles. The exchange of approaches and ideas between statistical mechanics and combinatorics have considerably advanced the description and understanding of directed lattice models, and this will be explored in this review. The combinatorial nature of directed lattice path models makes a study using generating function approaches most natural. In contrast, the statistical mechanics approach would introduce...

  3. Evaluation of circuit models for an IPMC (ionic polymer-metal composite) sensor using a parameter estimate method

    International Nuclear Information System (INIS)

    Park, Kiwon; Lee, Hyungki

    2012-01-01

    The present study investigated a sensor system to effectively detect the bending angles applied on an ionic polymer metal composite sensor. Firstly, the amount of net charge produced by the motion of cations was correlated to the bending angle based on the geometric relationship between a flat and a bent IPMC, and the relationship was represented by linear and nonlinear polynomial equations. Secondly, several existing and modified R and C circuit models with a linear charge model were evaluated using the experimental data. Thirdly, the nonlinear charge model was applied to a selected circuit model, and the effectivenesses of the linear and the nonlinear charge models were compared. Finally, the sensor output signal was fed into the inverse model of the identified circuit model to reproduce the bending angles. This paper presents a simple data processing procedure using the inverse transfer function of a selected circuit model that successfully monitored various bending motions of an IPMC sensor.

  4. Terminology of Polymers and Polymerization Processes in Dispersed Systems (IUPAC Recommendations 2011

    Directory of Open Access Journals (Sweden)

    Rogošić, M.

    2012-07-01

    Full Text Available A large group of industrially important polymerization processes is carried out in dispersed systems. These processes differ with respect to their physical nature, mechanism of particle formation, particle morphology, size, charge, types of interparticle interactions, and many other aspects. Polymer dispersions, and polymers derived from polymerization in dispersed systems,are used in diverse areas such as paints, adhesives, microelectronics, medicine, cosmetics, biotechnology, and others. Frequently, the same names are used for different processes and products or different names are used for the same processes and products. The document contains a list of recommended terms and definitions necessary for the unambiguous description of processes, products, parameters, and characteristic features relevant to polymers in dispersed systems.

  5. Self-monitoring fiber reinforced polymer strengthening system for civil engineering infrastructures

    Science.gov (United States)

    Jiang, Guoliang; Dawood, Mina; Peters, Kara; Rizkalla, Sami

    2008-03-01

    Fiber reinforced polymer (FRP) materials are currently used for strengthening civil engineering infrastructures. The strengthening system is dependant on the bond characteristics of the FRP to the external surface of the structure to be effective in resisting the applied loads. This paper presents an innovative self-monitoring FRP strengthening system. The system consists of two components which can be embedded in FRP materials to monitor the global and local behavior of the strengthened structure respectively. The first component of the system is designed to evaluate the applied load acting on a structure based on elongation of the FRP layer along the entire span of the structure. Success of the global system has been demonstrated using a full-scale prestressed concrete bridge girder which was loaded up to failure. The test results indicate that this type of sensor can be used to accurately determine the load prior to failure within 15 percent of the measured value. The second sensor component consists of fiber Bragg grating sensors. The sensors were used to monitor the behavior of steel double-lap shear splices tested under tensile loading up to failure. The measurements were used to identify abnormal structural behavior such as epoxy cracking and FRP debonding. Test results were also compared to numerical values obtained from a three dimensional shear-lag model which was developed to predict the sensor response.

  6. Statistical model of a flexible inextensible polymer chain: The effect of kinetic energy

    Science.gov (United States)

    Pergamenshchik, V. M.; Vozniak, A. B.

    2017-01-01

    Because of the holonomic constraints, the kinetic energy contribution in the partition function of an inextensible polymer chain is difficult to find, and it has been systematically ignored. We present the first thermodynamic calculation incorporating the kinetic energy of an inextensible polymer chain with the bending energy. To explore the effect of the translation-rotation degrees of freedom, we propose and solve a statistical model of a fully flexible chain of N +1 linked beads which, in the limit of smooth bending, is equivalent to the well-known wormlike chain model. The partition function with the kinetic and bending energies and correlations between orientations of any pair of links and velocities of any pair of beads are found. This solution is precise in the limits of small and large rigidity-to-temperature ratio b /T . The last exact solution is essential as even very "harmless" approximation results in loss of the important effects when the chain is very rigid. For very high b /T , the orientations of different links become fully correlated. Nevertheless, the chain does not go over into a hard rod even in the limit b /T →∞ : While the velocity correlation length diverges, the correlations themselves remain weak and tend to the value ∝T /(N +1 ). The N dependence of the partition function is essentially determined by the kinetic energy contribution. We demonstrate that to obtain the correct energy and entropy in a constrained system, the T derivative of the partition function has to be applied before integration over the constraint-setting variable.

  7. Correlation and prediction of Henry constants for liquids and gases in five industrially important polymers using a CS-type correlation based on the van der Waals equation of state. Comparison with other predictive models

    DEFF Research Database (Denmark)

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

    1995-01-01

    A simple two-parameter corresponding states-type method for the prediction of Henry constants of gases and liquid solvents in polymer solutions recently presented in the literature is thoroughly evaluated here and compared with the predictions of other models used for polymers. The corresponding...... states-type method is based on the van der Waals equation of state which has been recently extended to mixtures including polymers. Results are presented for systems containing five polymers in a variety of gases and nonpolar and polar liquid solutes. It is shown that agreement between experimental...

  8. Discontinuous and heterogeneous glass transition behavior of carbohydrate polymer-plasticizer systems.

    Science.gov (United States)

    Kawai, Kiyoshi; Hagura, Yoshio

    2012-07-01

    In order to understand the glass transition properties of carbohydrate polymer-plasticizer systems, glass transition temperatures of dextrin-glucose and dextrin-maltose systems were investigated systematically using differential scanning calorimetry. The onset (Tg(on)) and offset (Tg(off)) of the glass transition decreased with increasing plasticizer (glucose or maltose) content, and showed an abrupt depression at certain plasticizer content. The abrupt depression of Tg(off) occurred at higher plasticizer content than that of Tg(on). The glass transition was much broader for intermediate plasticizer content. From the enthalpy relaxation behavior of samples aged at various temperatures, it was found that two different glass transitions occurred contentiously in the broad glass transition. These results suggested that carbohydrate polymer-plasticizer systems can be classified into three regions: the entrapment of the plasticizer by the polymer, the formations of the polymer-plasticizer and plasticizer-rich domains, and the embedment of polymer into the plasticizer. Copyright © 2012 Elsevier Ltd. All rights reserved.

  9. Study of equivalent retention among different polymer-solvent systems in thermal field-flow fractionation

    International Nuclear Information System (INIS)

    Kim, Won Suk; Park, Young Hun; Lee, Dai Woon; Moon, Myeong Hee; Yu, Euy Kyung

    1998-01-01

    An equivalent retention has been experimentally observed in thermal field-flow fractionation (ThFF) for different polymer-solvent systems. It is shown that iso-retention between two sets of polymer-solvent systems can be obtained by adjusting the temperature difference (ΔT) according to the difference in the ration of ordinary diffusion coefficient to thermal diffusion coefficient. This method uses a compensation of field strength (ΔT) in ThFFF at a fixed condition of cold wall temperature. It is applied for the calculation of molecular weight of polymers based on a calibration run of different standards obtained at an adjusted ΔT. The polymer standards used in this study are polystyrene (PS), polymethylmethacrylate (PMMA), and polytetrahydrofuran (PTHF). Three carrier solvents, tetrahydrofuran (THF), methylethylketone (MEK) and ethylacetate (ETAc) were employed. Though the accuracy in the calculation of molecular weight is dependent on the difference in the slope of log λ vs. log M which is related to Mark-Houwink constant a, it shows reasonable agreement within about 6% of relative error in molecular weight calculation for the polymer-solvent systems having similar a value

  10. Pharmacokinetic study of medicinal polymers: models based on dextrans

    International Nuclear Information System (INIS)

    Kulakov, V.N.; Pimenova, G.N.; Matveev, V.A.; Sedov, V.V.; Vasil'ev, A.E.

    1986-01-01

    The authors study the pharmacokinetics of dextrans with various molecular masses modified by fluorescein isothiocyanate (FITC) using a radioisotope method. The radionuclide 125 I was selectively bound to a FITC residue attached to the polysaccharide by electrochemical iodination under potentiostatic conditions. In the experiments, dextrans modified by FITC were labeled with 125 I (DF- 125 I) by electrochemical iodination. The separation of DF- 125 I and FITC from ionic forms of the radionuclide not bound to the polymer was carried out. The properties of the samples obtained are presented. The radioactivity accumulated in the rate organs and urine studied are shown. The features of DF- 125 I behavior in the blood and liver are examined

  11. Modeling of twisted and coiled polymer (TCP) muscle based on phenomenological approach

    Science.gov (United States)

    Karami, Farzad; Tadesse, Yonas

    2017-12-01

    Twisted and coiled polymers (TCP) muscles are linear actuators that respond to change in temperature. Exploiting high negative coefficient of thermal expansion (CTE) and helical geometry give them a significant ability to change length in a limited temperature range. Several applications and experimental data of these materials have been demonstrated in the last few years. To use these actuators in robotics and control system applications, a mathematical model for predicting their behavior is essential. In this work, a practical and accurate phenomenological model for estimating the displacement of TCP muscles, as a function of the load as well as input electrical current, is proposed. The problem is broken down into two parts, i.e. modeling of the electro-thermal and then the thermo-elastic behavior of the muscles. For the first part, a differential equation, with changing electrical resistance term, is derived. Next, by using a temperature-dependent modulus of elasticity and CTE as well as taking the geometry of the muscles into account, an expression for displacement is derived. Experimental data for different loads and actuation current levels are used for verifying the model and investigating its accuracy. The result shows a good agreement between the simulation and experimental results for all loads.

  12. Transient non-isothermal model of a polymer electrolyte fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Shah, A.A. [Queen' s-RMC Fuel Cell Research Centre, 945 Princess Street, Kingston, Ont. K7L 5L9 (Canada); Kim, G.-S.; Harvey, D. [Ballard Power Systems, 4343 North Fraser Way, Burnaby, BC V5J 5J9 (Canada); Sui, P.C. [Institute for Integrated Energy Systems, University of Victoria, Victoria, BC V8W 3P6 (Canada)

    2007-01-01

    In this paper we present a one-dimensional transient model for the membrane electrode assembly of a polymer-electrolyte fuel cell. In earlier work we established a framework to describe the water balance in a steady-state, non-isothermal cathode model that explicitly included an agglomerate catalyst layer component. This paper extends that work in several directions, explicitly incorporating components of the anode, including a micro-porous layer, and accounting for electronic potential variations, gas convection and time dependance. The inclusion of temperature effects, which are vital to the correct description of condensation and evaporation, is new to transient modelling. Several examples of the modelling results are given in the form of potentiostatic sweeps and compared to experimental results. Excellent qualitative agreement is demonstrated, particularly in regard to the phenomenon of hysteresis, a manifestation of the sensitive response of the system to the presence of water. Results pertaining to pore size, contact angle and the presence of a micro-porous layer are presented and future work is discussed. (author)

  13. Structure and Dynamics of Polymer/Polymer grafted nanoparticle composite

    Science.gov (United States)

    Archer, Lynden

    Addition of nanoparticles to polymers is a well-practiced methodology for augmenting various properties of the polymer host, including mechanical strength, thermal stability, barrier properties, dimensional stability and wear resistance. Many of these property changes are known to arise from nanoparticle-induced modification of polymer structure and chain dynamics, which are strong functions of the dispersion state of the nanoparticles' and on their relative size (D) to polymer chain dimensions (e.g. Random coil radius Rg or entanglement mesh size a) . This talk will discuss polymer nanocomposites (PNCs) comprised of Polyethylene Glycol (PEG) tethered silica nanoparticles (SiO2-PEG) dispersed in polymers as model systems for investigating phase stability and dynamics of PNCs. On the basis of small-angle X-ray Scattering, it will be shown that favorable enthalpic interactions between particle-tethered chains and a polymer host provides an important mechanism for creating PNCs in which particle aggregation is avoided. The talk will report on polymer and particle scale dynamics in these materials and will show that grafted nanoparticles well dispersed in a polymer host strongly influence the host polymer relaxation dynamics on all timescales and the polymers in turn produce dramatic changes in the nature (from diffusive to hyperdiffusive) and speed of nano particle decorrelation dynamics at the polymer entanglement threshold. A local viscosity model capable of explaining these observations is discussed and the results compared with scaling theories for NP motions in polymers This material is based on work supported by the National Science Foundation Award Nos. DMR-1609125 and CBET-1512297.

  14. Finite element modeling of the electromechanical coupling in ionic polymer transducers

    Science.gov (United States)

    Akle, Barbar; Habchi, Wassim; Wallmersperger, Thomas; Leo, Donald

    2010-04-01

    Several researchers are actively studying Ionomeric polymer transducers (IPT) as a large strain low voltage Electro- Active Polymer (EAP) actuator. EAPs are devices that do not contain any moving parts leading to a potential large life time. Furthermore, they are light weight and flexible. An IPT is made of an ion saturated polymer usually Nafion, sandwiched between two electrodes made of a mixture of Nafion and electrically conductive particles usually RuO2 or platinum. Nafion is an acid membrane in which the cations are mobile while the anions are covalently fixed to the polymer structure. Upon the application of an electric potential on the order of 2V at the electrodes the mobile positive ions migrate towards the cathode leading to bending strains in the order of 5%. Our earlier studies demonstrate that the cations develop thin boundary layers around the electrode. Later developments in this finite element model captured the importance of adding particles in the electrode. This study presents the electromechanical coupling in ionic polymer transducers. Since all our earlier models were restricted to the electro-chemical part, here we will introduce the chemomechanical coupling. This coupling is performed based on previous studies (Akle and Leo) in which the authors experimentally showed that the mechanical strain in IPTs is proportional to a linear term and a quadratic term of the charge accumulated at the electrode. The values of the linear and quadratic terms are extracted from experimental data.

  15. Modeling fiber Bragg grating device networks in photomechanical polymer optical fibers

    Science.gov (United States)

    Lanska, Joseph T.; Kuzyk, Mark G.; Sullivan, Dennis M.

    2015-09-01

    We report on the modeling of fiber Bragg grating (FBG) networks in poly(methyl methacrylate) (PMMA) polymer fibers doped with azo dyes. Our target is the development of Photomechanical Optical Devices (PODs), comprised of two FBGs in series, separated by a Fabry-Perot cavity of photomechanical material. PODs exhibit photomechanical multi-stability, with the capacity to access multiple length states for a fixed input intensity when a mechanical shock is applied. Using finite-difference time-domain (FDTD) numerical methods, we modeled the photomechanical response of both Fabry-Perot and Bragg-type PODs in a single polymer optical fiber. The polymer fiber was modeled as an instantaneous Kerr-type nonlinear χ(3) material. Our model correctly predicts the essential optical features of FBGs as well as the photomechanical multi-stability of nonlinear Fabry-Perot cavity-based PODs. Networks of PODs may provide a framework for smart shape-shifting materials and fast optical computation where the decision process is distributed over the entire network. In addition, a POD can act as memory, and its response can depend on input history. Our models inform and will accelerate targeted development of novel Bragg grating-based polymer fiber device networks for a variety of applications in optical computing and smart materials.

  16. Optimized protocol for the radioiodination of hydrazone-type polymer drug delivery systems

    International Nuclear Information System (INIS)

    Sedláček, Ondřej; Kučka, Jan; Hrubý, Martin

    2015-01-01

    Hydrazone conjugates of polymers with doxorubicin represent a very promising tool for cancer chemotherapy. However, these conjugates are very difficult to radiolabel with iodine radionuclides, which possess otherwise very advantageous nuclear properties to, e.g., follow biodistribution. In this study, we developed a robust protocol for the high-yield radioiodination of hydrazone-type drug delivery systems with doxorubicin. In particular, it is crucial that the polymer radioiodination step be performed before the deprotection of the hydrazide and doxorubicin binding. - Highlights: • Hydrazone-type drug delivery systems with doxorubicin were radioiodinated. • Radioiodination was performed via polymer-bound phenolic moiety. • Radioiodination step must be performed before deprotection and drug binding

  17. Colorimetric test-systems for creatinine detection based on composite molecularly imprinted polymer membranes.

    Science.gov (United States)

    Sergeyeva, T A; Gorbach, L A; Piletska, E V; Piletsky, S A; Brovko, O O; Honcharova, L A; Lutsyk, O D; Sergeeva, L M; Zinchenko, O A; El'skaya, A V

    2013-04-03

    An easy-to-use colorimetric test-system for the efficient detection of creatinine in aqueous samples was developed. The test-system is based on composite molecularly imprinted polymer (MIP) membranes with artificial receptor sites capable of creatinine recognition. A thin MIP layer was created on the surface of microfiltration polyvinylidene fluoride (PVDF) membranes using method of photo-initiated grafting polymerization. The MIP layer was obtained by co-polymerization of a functional monomer (e.g. 2-acrylamido-2-methyl-1-propanesulfonic acid, itaconic acid or methacrylic acid) with N, N'-methylenebisacrylamide as a cross-linker. The choice of the functional monomer was based on the results of computational modeling. The creatinine-selective composite MIP membranes were used for measuring creatinine in aqueous samples. Creatinine molecules were selectively adsorbed by the MIP membranes and quantified using color reaction with picrates. The intensity of MIP membranes staining was proportional to creatinine concentration in an analyzed sample. The colorimetric test-system based on the composite MIP membranes was characterized with 0.25 mM detection limit and 0.25-2.5mM linear dynamic range. Storage stability of the MIP membranes was estimated as at least 1 year at room temperature. As compared to the traditional methods of creatinine detection the developed test-system is characterized by simplicity of operation, small size and low cost. Copyright © 2013 Elsevier B.V. All rights reserved.

  18. Caractérisation rhéologique et modélisation structurelle des systèmes argile-polymère. Application aux fluides de forage Rheometry and Structural Modelling of Clay-Polymer Systems. Application to Drilling Fluids

    Directory of Open Access Journals (Sweden)

    Cartalos U.

    2006-12-01

    Full Text Available Le comportement rhéologique des systèmes argile-polymère couramment utilisés dans les formulations des fluides de forage est examiné dans cet article. Un protocole d'essai adapté à leur nature thixotrope qui permet d'effectuer des mesures reproductibles est mis au point. Les propriétés intrinsèques du matériau sont ainsi déterminées sur toute la gamme de sollicitations : du comportement solide aux faibles déformations au comportement fluide aux taux de déformations intenses. Il est montré que ces systèmes sont caractérisés par des temps de restructuration longs, par des rhéogrammes en régime permanent présentant un minimum de contrainte et par des dépassements importants de la contrainte lors des essais transitoires. Ces effets peuvent être complètement masqués par des procédures d'essai préconisés par les normes en vigueur dans le forage. Une loi de comportement structurelle récente qui relie les propriétés thixotropes et viscoélastiques du matériau aux mécanismes de création et de rupture des flocs peut reproduire l'ensemble des phénomènes observés. Sa capacité de décrire le changement de structure au sein du fluide sous écoulement ou au repos et les variations associées de la contrainte permet d'envisager une meilleure modélisation de l'hydraulique du forage. The rheological behaviour of clay-polymer systems that are currently used in the formulation of drilling fluids was studied. A specific experimental procedure was used to account for thixotropic effects and obtain, thus, reproducible results. In this way it was possible to determine intrinsic properties in the whole range, from solid behaviour below the yield stress to liquid behaviour at very high shear. These systems are shown to be characterised by very long time scales of structure recovery, by the existence of a minimum shear stress in the steady state flow curve and by important stress overshoots in transient flows. These effects can be

  19. Molecular dynamics modeling the synthetic and biological polymers interactions pre-studied via docking

    Science.gov (United States)

    Tsvetkov, Vladimir B.; Serbin, Alexander V.

    2014-06-01

    In previous works we reported the design, synthesis and in vitro evaluations of synthetic anionic polymers modified by alicyclic pendant groups (hydrophobic anchors), as a novel class of inhibitors of the human immunodeficiency virus type 1 ( HIV-1) entry into human cells. Recently, these synthetic polymers interactions with key mediator of HIV-1 entry-fusion, the tri-helix core of the first heptad repeat regions [ HR1]3 of viral envelope protein gp41, were pre-studied via docking in terms of newly formulated algorithm for stepwise approximation from fragments of polymeric backbone and side-group models toward real polymeric chains. In the present article the docking results were verified under molecular dynamics ( MD) modeling. In contrast with limited capabilities of the docking, the MD allowed of using much more large models of the polymeric ligands, considering flexibility of both ligand and target simultaneously. Among the synthesized polymers the dinorbornen anchors containing alternating copolymers of maleic acid were selected as the most representative ligands (possessing the top anti-HIV activity in vitro in correlation with the highest binding energy in the docking). To verify the probability of binding of the polymers with the [HR1]3 in the sites defined via docking, various starting positions of polymer chains were tried. The MD simulations confirmed the main docking-predicted priority for binding sites, and possibilities for axial and belting modes of the ligands-target interactions. Some newly MD-discovered aspects of the ligand's backbone and anchor units dynamic cooperation in binding the viral target clarify mechanisms of the synthetic polymers anti-HIV activity and drug resistance prevention.

  20. Modeller af komplicerede systemer

    DEFF Research Database (Denmark)

    Mortensen, J.

    emphasizes their use in relation to technical systems. All the presented models, with the exception of the types presented in chapter 2, are non-theoretical non-formal conceptual network models. Two new model types are presented: 1) The System-Environment model, which describes the environments interaction...... with conceptual modeling in relation to process control. It´s purpose is to present classify and exemplify the use of a set of qualitative model types. Such model types are useful in the early phase of modeling, where no structured methods are at hand. Although the models are general in character, this thesis......This thesis, "Modeller af komplicerede systemer", represents part of the requirements for the Danish Ph.D.degree. Assisting professor John Nørgaard-Nielsen, M.Sc.E.E.Ph.D. has been principal supervisor and professor Morten Lind, M.Sc.E.E.Ph.D. has been assisting supervisor. The thesis is concerned...

  1. Polymer property modeling using grid technology for design of structured products

    DEFF Research Database (Denmark)

    Chelakara Satyanarayana, Kavitha; Gani, Rafiqul; Abildskov, Jens

    2007-01-01

    Property prediction for a given polymer structure using group contribution models require that the structure can be fully represented by groups with well-defined contributions for that particular property. Frequently this cannot be accomplished. To overcome this limitation a group contribution(+)...

  2. 3D printing of CNT- and graphene-based conductive polymer nanocomposites by fused deposition modeling

    NARCIS (Netherlands)

    Gnanasekaran, K.; Heijmans, T.; van Bennekom, S.; Woldhuis, H.; Wijnia, S.; de With, G.; Friedrich, H.

    2017-01-01

    Fused deposition modeling (FDM) is limited by the availability of application specific functional materials. Here we illustrate printing of non-conventional polymer nanocomposites (CNT- and graphene-based polybutylene terephthalate (PBT)) on a commercially available desktop 3D printer leading toward

  3. Modeling CO2 laser ablation impulse of polymers in vapor and plasma regimes

    International Nuclear Information System (INIS)

    Sinko, John E.; Phipps, Claude R.

    2009-01-01

    An improved model for CO 2 laser ablation impulse in polyoxymethylene and similar polymers is presented that describes the transition effects from the onset of vaporization to the plasma regime in a continuous fashion. Several predictions are made for ablation behavior.

  4. Micromechanical modeling of the elasto-viscoplastic bahavior of semi-crystalline polymers

    NARCIS (Netherlands)

    Dommelen, van J.A.W.; Parks, D.M.; Boyce, M.C.; Brekelmans, W.A.M.; Baaijens, F.P.T.

    2003-01-01

    A micromechanically-based constitutive model for the elasto-viscoplastic deformationand texture evolution of semi-crystalline polymers is developed. The modelidealizes the microstructure to consist of an aggregate of two-phase layered compositeinclusions. A new framework for the composite inclusion

  5. Multiscale Modeling of Poly(lactic acid) Production: From Reaction Conditions to Rheology of Polymer Melt

    DEFF Research Database (Denmark)

    Zubov, Alexandr; Sin, Gürkan

    2018-01-01

    Abstract Poly(L-lactic acid) (PLLA) is a fully biodegradable bioplastic with promising market potential. The paper deals with systematic development and analysis of the modeling framework allowing direct mapping between PLLA production process conditions and rheological properties of the polymer ...

  6. Pair interactions in polyelectrolyte-nanoparticle systems: Influence of dielectric inhomogeneities and the partial dissociation of polymers and nanoparticles

    International Nuclear Information System (INIS)

    Pryamitsyn, Victor; Ganesan, Venkat

    2015-01-01

    We study the effective pair interactions between two charged spherical particles in polyelectrolyte solutions using polymer self-consistent field theory. In a recent study [V. Pryamitsyn and V. Ganesan, Macromolecules 47, 6095 (2015)], we considered a model in which the particles possess fixed charge density, the polymers contain a prespecified amount of dissociated charges and, the dielectric constant of the solution was assumed to be homogeneous in space and independent of the polymer concentration. In this article, we present results extending our earlier model to study situations in which either or both the particle and the polymers possess partially dissociable groups. Additionally, we also consider the case when the dielectric constant of the solution depends on the local concentration of the polymers and when the particle’s dielectric constant is lower than that of the solvent. For each case, we quantify the polymer-mediated interactions between the particles as a function of the polymer concentrations and the degree of dissociation of the polymer and particles. Consistent with the results of our previous study, we observe that the polymer-mediated interparticle interactions consist of a short-range attraction and a long-range repulsion. The partial dissociablity of the polymer and particles was seen to have a strong influence on the strength of the repulsive portion of the interactions. Rendering the dielectric permittivity to be inhomogeneous has an even stronger effect on the repulsive interactions and results in changes to the qualitative nature of interactions in some parametric ranges

  7. Multilayer affinity adsorption of albumin on polymer brushes modified membranes in a continuous-flow system.

    Science.gov (United States)

    Hu, Meng-Xin; Li, Xiang; Li, Ji-Nian; Huang, Jing-Jing; Ren, Ge-Rui

    2018-02-23

    Polymer brushes modified surfaces have been widely used for protein immobilization and isolation. Modification of membranes with polymer brushes increases the surface concentration of affinity ligands used for protein binding. Albumin is one of the transporting proteins and shows a high affinity to bile acids. In this work, the modified membranes with cholic acid-containing polymer brushes can be facilely prepared by the immobilization of cholic acid on the poly(2-hydroxyethyl methacrylate) grafted microporous polypropylene membranes (MPPMs) for affinity adsorption of albumin. ATR/FT-IR and X-ray photoelectron spectroscopy were used to characterize the chemical composition of the modified membranes. Water contact angle measurements were used to analyze the hydrophilic/hydrophobic properties of the membrane surface. The modified MPPMs show a high affinity to albumin and have little non-specific adsorption of hemoglobin. The dynamic binding capacity of albumin in the continous-flow system increases with the cycle number and feed rate as the binding degree of cholic acid is moderate. The highest binding capacity of affinity membranes is about 52.49 g/m 2 membrane, which is about 24 times more than the monolayer binding capacity. These results reveal proteins could be captured in multilayers by the polymer brushes containing affinity ligands similar to the polymer brushes containing ion-exchange groups, which open up the potential of the polymer brushes containing affinity ligands in protein or another components separation. And the cholic acid containing polymer brushes modified membranes has the promising potential for albumin separation and purification rapidly from serum or fermented solution in medical diagnosis and bioseparation. Copyright © 2018 Elsevier B.V. All rights reserved.

  8. Modeling the Coupled Chemo-Thermo-Mechanical Behavior of Amorphous Polymer Networks.

    Energy Technology Data Exchange (ETDEWEB)

    Zimmerman, Jonathan A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Nguyen, Thao D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Xiao, Rui [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2015-02-01

    Amorphous polymers exhibit a rich landscape of time-dependent behavior including viscoelasticity, structural relaxation, and viscoplasticity. These time-dependent mechanisms can be exploited to achieve shape-memory behavior, which allows the material to store a programmed deformed shape indefinitely and to recover entirely the undeformed shape in response to specific environmental stimulus. The shape-memory performance of amorphous polymers depends on the coordination of multiple physical mechanisms, and considerable opportunities exist to tailor the polymer structure and shape-memory programming procedure to achieve the desired performance. The goal of this project was to use a combination of theoretical, numerical and experimental methods to investigate the effect of shape memory programming, thermo-mechanical properties, and physical and environmental aging on the shape memory performance. Physical and environmental aging occurs during storage and through exposure to solvents, such as water, and can significantly alter the viscoelastic behavior and shape memory behavior of amorphous polymers. This project – executed primarily by Professor Thao Nguyen and Graduate Student Rui Xiao at Johns Hopkins University in support of a DOE/NNSA Presidential Early Career Award in Science and Engineering (PECASE) – developed a theoretical framework for chemothermo- mechanical behavior of amorphous polymers to model the effects of physical aging and solvent-induced environmental factors on their thermoviscoelastic behavior.

  9. Three-Dimensional (3D Printing of Polymer-Metal Hybrid Materials by Fused Deposition Modeling

    Directory of Open Access Journals (Sweden)

    Susanna Fafenrot

    2017-10-01

    Full Text Available Fused deposition modeling (FDM is a three-dimensional (3D printing technology that is usually performed with polymers that are molten in a printer nozzle and placed line by line on the printing bed or the previous layer, respectively. Nowadays, hybrid materials combining polymers with functional materials are also commercially available. Especially combinations of polymers with metal particles result in printed objects with interesting optical and mechanical properties. The mechanical properties of objects printed with two of these metal-polymer blends were compared to common poly (lactide acid (PLA printed objects. Tensile tests and bending tests show that hybrid materials mostly containing bronze have significantly reduced mechanical properties. Tensile strengths of the 3D-printed objects were unexpectedly nearly identical with those of the original filaments, indicating sufficient quality of the printing process. Our investigations show that while FDM printing allows for producing objects with mechanical properties similar to the original materials, metal-polymer blends cannot be used for the rapid manufacturing of objects necessitating mechanical strength.

  10. Three-Dimensional (3D) Printing of Polymer-Metal Hybrid Materials by Fused Deposition Modeling.

    Science.gov (United States)

    Fafenrot, Susanna; Grimmelsmann, Nils; Wortmann, Martin; Ehrmann, Andrea

    2017-10-19

    Fused deposition modeling (FDM) is a three-dimensional (3D) printing technology that is usually performed with polymers that are molten in a printer nozzle and placed line by line on the printing bed or the previous layer, respectively. Nowadays, hybrid materials combining polymers with functional materials are also commercially available. Especially combinations of polymers with metal particles result in printed objects with interesting optical and mechanical properties. The mechanical properties of objects printed with two of these metal-polymer blends were compared to common poly (lactide acid) (PLA) printed objects. Tensile tests and bending tests show that hybrid materials mostly containing bronze have significantly reduced mechanical properties. Tensile strengths of the 3D-printed objects were unexpectedly nearly identical with those of the original filaments, indicating sufficient quality of the printing process. Our investigations show that while FDM printing allows for producing objects with mechanical properties similar to the original materials, metal-polymer blends cannot be used for the rapid manufacturing of objects necessitating mechanical strength.

  11. The systems integration modeling system

    International Nuclear Information System (INIS)

    Danker, W.J.; Williams, J.R.

    1990-01-01

    This paper discusses the systems integration modeling system (SIMS), an analysis tool for the detailed evaluation of the structure and related performance of the Federal Waste Management System (FWMS) and its interface with waste generators. It's use for evaluations in support of system-level decisions as to FWMS configurations, the allocation, sizing, balancing and integration of functions among elements, and the establishment of system-preferred waste selection and sequencing methods and other operating strategies is presented. SIMS includes major analysis submodels which quantify the detailed characteristics of individual waste items, loaded casks and waste packages, simulate the detailed logistics of handling and processing discrete waste items and packages, and perform detailed cost evaluations

  12. Design and Modeling of Symmetric Three Branch Polymer Planar Optical Power Dividers

    Directory of Open Access Journals (Sweden)

    V. Prajzler

    2013-04-01

    Full Text Available Two types of polymer-based three-branch symmetric planar optical power dividers (splitters were designed, multimode interference (MMI splitter and triangular shape-spacing splitter. By means of modeling the real structures were simulated as made of Epoxy Novolak Resin on silicon substrate, with silica buffer layer and polymethylmethacrylate as protection cover layer. The design of polymer waveguide structure was done by Beam Propagation Method. After comparing properties of both types of the splitters we have demonstrated that our new polymer based triangular shaped splitter can work simultaneously in broader spectrum, the only condition would be that the waveguides are single-mode guiding. It practically means that, what concerns communication wavelengths, it can on principle simultaneously operate at two mainly used wavelengths, 1310 and 1550 nm.

  13. Modeling programmable deformation of self-folding all-polymer structures with temperature-sensitive hydrogels

    International Nuclear Information System (INIS)

    Guo, Wei; Zhou, Jinxiong; Li, Meie

    2013-01-01

    Combination of soft active hydrogels with hard passive polymers gives rise to all-polymer composites. The hydrogel is sensitive to external stimuli while the passive polymer is inert. Utilizing the different behaviors of two materials subject to environmental variation, for example temperature, results in self-folding soft machines. We report our efforts to model the programmable deformation of self-folding structures with temperature-sensitive hydrogels. The self-folding structures are realized either by constructing a bilayer structure or by incorporating hydrogels as hinges. The methodology and the results may aid the design, control and fabrication of 3D complex structures from 2D simple configurations through self-assembly. (paper)

  14. Specific heat study of quasi-one-dimensional antiferromagnetic model for an organic polymer chain

    International Nuclear Information System (INIS)

    Qu Shaohua; Zhu Lin

    2008-01-01

    The specific heat of an infinite one-dimensional polymer chain bearing periodically arranged side radicals connected to the even sites is studied by means of quantum transfer-matrix method based on a Ising-Heisenberg model. In the absence of the exchange interactions between side radicals and the main chain, the curves of specific heat show a round peak due to the antiferromagnetic excitations for the all antiferromagnetic interactions along the polymer chain. Considering the exchange interactions between the side radicals and the main chain, the curves of the specific heat show double-peak structure for ferromagnetic interactions between the radicals and main chain, indicating that a competition between ferromagnetic and antiferromagnetic interactions and the possibility of the occurrence of the stable ferrimagnetic state along the polymer chain

  15. Numerical modelling of porous cement-based materials by superabsorbent polymers

    DEFF Research Database (Denmark)

    Viejo, Ismael; Esteves, Luis Pedro; Laspalas, Manuel

    2016-01-01

    The development of new cementitious materials raises new challenges with regard to structural design. One of the potential applications of superabsorbent polymers (SAP) is to deliver well-defined porosity to cement systems. This is particularly interesting for the development of porous cement...

  16. Statistical mechanics of directed models of polymers in the square lattice

    International Nuclear Information System (INIS)

    Rensburg, E J Janse van

    2003-01-01

    Directed square lattice models of polymers and vesicles have received considerable attention in the recent mathematical and physical sciences literature. These are idealized geometric directed lattice models introduced to study phase behaviour in polymers, and include Dyck paths, partially directed paths, directed trees and directed vesicles models. Directed models are closely related to models studied in the combinatorics literature (and are often exactly solvable). They are also simplified versions of a number of statistical mechanics models, including the self-avoiding walk, lattice animals and lattice vesicles. The exchange of approaches and ideas between statistical mechanics and combinatorics have considerably advanced the description and understanding of directed lattice models, and this will be explored in this review. The combinatorial nature of directed lattice path models makes a study using generating function approaches most natural. In contrast, the statistical mechanics approach would introduce partition functions and free energies, and then investigate these using the general framework of critical phenomena. Generating function and statistical mechanics approaches are closely related. For example, questions regarding the limiting free energy may be approached by considering the radius of convergence of a generating function, and the scaling properties of thermodynamic quantities are related to the asymptotic properties of the generating function. In this review the methods for obtaining generating functions and determining free energies in directed lattice path models of linear polymers is presented. These methods include decomposition methods leading to functional recursions, as well as the Temperley method (that is implemented by creating a combinatorial object, one slice at a time). A constant term formulation of the generating function will also be reviewed. The thermodynamic features and critical behaviour in models of directed paths may be

  17. Cellular Automata Modelling of Photo-Induced Oxidation Processes in Molecularly Doped Polymers

    Directory of Open Access Journals (Sweden)

    David M. Goldie

    2016-11-01

    Full Text Available The possibility of employing cellular automata (CA to model photo-induced oxidation processes in molecularly doped polymers is explored. It is demonstrated that the oxidation dynamics generated using CA models exhibit stretched-exponential behavior. This dynamical characteristic is in general agreement with an alternative analysis conducted using standard rate equations provided the molecular doping levels are sufficiently low to prohibit the presence of safe-sites which are impenetrable to dissolved oxygen. The CA models therefore offer the advantage of exploring the effect of dopant agglomeration which is difficult to assess from standard rate equation solutions. The influence of UV-induced bleaching or darkening upon the resulting oxidation dynamics may also be easily incorporated into the CA models and these optical effects are investigated for various photo-oxidation product scenarios. Output from the CA models is evaluated for experimental photo-oxidation data obtained from a series of hydrazone-doped polymers.

  18. Polymer flooding effect of seepage characteristics of the second tertiary combined model of L oilfield block B

    Directory of Open Access Journals (Sweden)

    Huan ZHAO

    2015-06-01

    Full Text Available The second tertiary combined model is applied to develop the second and third type reservoirs which have more oil layer quantity and strong anisotropism, compared to the regular main reservoir with polymer injection, whose seepage characteristics of polymer-injection-after-water-drive shows a remarkable difference, in addition. This development appears to have a larger effect on the remaining oil development and production. Simulating the second tertiary combined model by reservoir numerical simulation under different polymer molecular weight, polymer concentration, polymer injection rate on the polymer injection period, conclusions of the influenced seepage characteristics of original and added perforated interval pressure and water saturation are drawn. The conclusion shows that the polymer molecular weight could influence water saturation of added perforated interval; polymer concentration makes a significant impact on reservoir pressure; polymer injection rate has a great influence on the separate rate of original and added perforated interval. This research provides firm science evidence to the theory of the second tertiary combined model to develop and enhance oil injection-production rate.

  19. Cross-Linked Liquid Crystalline Systems From Rigid Polymer Networks to Elastomers

    CERN Document Server

    Broer, Dirk

    2011-01-01

    With rapidly expanding interest in liquid crystalline polymers and elastomers among the liquid crystal community, researchers are currently exploring the wide range of possible application areas for these unique materials, including optical elements on displays, tunable lasers, strain gauges, micro-structures, and artificial muscles. Written by respected scientists from academia and industry around the world, who are not only active in the field but also well-known in more traditional areas of research, "Cross-Linked Liquid Crystalline Systems: From Rigid Polymer Networks to Elastomers&qu

  20. Development of the computer-aided process planning (CAPP system for polymer injection molds manufacturing

    Directory of Open Access Journals (Sweden)

    J. Tepić

    2011-10-01

    Full Text Available Beginning of production and selling of polymer products largely depends on mold manufacturing. The costs of mold manufacturing have significant share in the final price of a product. The best way to improve and rationalize polymer injection molds production process is by doing mold design automation and manufacturing process planning automation. This paper reviews development of a dedicated process planning system for manufacturing of the mold for injection molding, which integrates computer-aided design (CAD, computer-aided process planning (CAPP and computer-aided manufacturing (CAM technologies.

  1. Multicomponent semiconducting polymer systems with low crystallization-induced percolation threshold

    DEFF Research Database (Denmark)

    Goffri, S.; Müller, C.; Stingelin-Stutzmann, N.

    2006-01-01

    of the two components, during which the semiconductor is predominantly expelled to the surfaces of cast films, we can obtain vertically stratified structures in a one-step process. Incorporating these as active layers in polymer field-effect transistors, we find that the concentration of the semiconductor......–crystalline/semiconducting–insulating multicomponent systems offer expanded flexibility for realizing high-performance semiconducting architectures at drastically reduced materials cost with improved mechanical properties and environmental stability, without the need to design all performance requirements into the active semiconducting polymer...

  2. Novel routes to liquid-based self-healing polymer systems

    NARCIS (Netherlands)

    Mookhoek, S.D.

    2010-01-01

    Inspired by the current state-of-the-art and the progressing advancements in the field of self-healing materials, this thesis addresses several novel routes to advance the concept of liquid-based self-healing polymer systems. This thesis presents the concept and characterisation of a one-component

  3. New Approach for Description of Sorption and Swelling phenomena in Liquid + Polymer Membrane Systems.

    Czech Academy of Sciences Publication Activity Database

    Randová, A.; Bartovská, L.; Hovorka, Š.; Bartovský, T.; Izák, Pavel; Kárászová, Magda; Vopička, O.; Lindnerová, V.

    2017-01-01

    Roč. 179, MAY (2017), s. 475-485 ISSN 1383-5866 R&D Projects: GA MŠk(CZ) LD14094 Institutional support: RVO:67985858 Keywords : description of sorption * polymer membranes systems * new method Subject RIV: CI - Industrial Chemistry, Chemical Engineering OBOR OECD: Chemical process engineering Impact factor: 3.359, year: 2016

  4. Revisiting the mesoscopic Termonia and Smith model for deformation of polymers

    International Nuclear Information System (INIS)

    Krishna Reddy, B; Basu, Sumit; Estevez, Rafael

    2008-01-01

    Mesoscopic models for polymers have the potential to link macromolecular properties with the mechanical behaviour without being too expensive computationally. An interesting, popular and rather simple model to this end was proposed by Termonia and Smith (1987 Macromolecules 20 835–8). In this model the macromolecular ensemble is viewed as a collection of two-dimensional self-avoiding random walks on a regular lattice whose lattice points represent entanglements. The load is borne by members representing van der Waals bonds as well as macromolecular strands between two entanglement points. Model polymers simulated via this model exhibited remarkable qualitative similarity with real polymers with respect to their molecular weight, entanglement spacing, strain rate and temperature dependence. In this work, we revisit this model and present a detailed reformulation within the framework of a finite deformation finite element scheme. The physical origins of each of the parameters in the model are investigated and inherent assumptions in the model which contribute to its success are critically probed

  5. Formulation of gastroretentive floating drug delivery system using hydrophilic polymers and its in vitro characterization

    Directory of Open Access Journals (Sweden)

    Venkata Srikanth Meka

    2014-04-01

    Full Text Available The aim of the present research is to formulate and evaluate the gastroretentive floating drug delivery system of antihypertensive drug, propranolol HCl. Gastroretentive floating tablets (GRFT were prepared by using a synthetic hydrophilic polymer polyethylene oxide of different grades such as PEO WSR N-12 K and PEO 18 NF as release retarding polymers and calcium carbonate as gas generating agent. The GRFT were compressed by direct compression strategy and the tablets were evaluated for physico-chemical properties, in vitro buoyancy, swelling studies, in vitro dissolution studies and release mechanism studies. From the dissolution and buoyancy studies, F 9 was selected as an optimized formulation. The optimized formulation followed zero order rate kinetics with non-Fickian diffusion mechanism. The optimized formulation was characterised with FTIR studies and observed no interaction between the drug and the polymers.

  6. Piezoelectricity in polymers

    International Nuclear Information System (INIS)

    Kepler, R.G.; Anderson, R.A.

    1980-01-01

    Piezoelectricity and related properties of polymers are reviewed. After presenting a historical overview of the field, the mathematical basis of piezo- and pyroelectricity is summarized. We show how the experimentally measured quantities are related to the changes in polarization and point out the serious inequlity between direct and converse piezoelectric coefficients in polymers. Theoretical models of the various origins of piezo- and pyroelectricity, which include piezoelectricity due to inhomogeneous material properties and strains, are reviewed. Relaxational effects are also considered. Experimental techniques are examined and the results for different materials are presented. Because of the considerable work in recent years polyimylidene fluoride, this polymer receives the majority of the attention. The numerous applications of piezo-and pyroelectric polymers are mentioned. This article concludes with a discussion of the possible role of piezo- and pyroelectricity in biological system

  7. Constitutive model for a stress- and thermal-induced phase transition in a shape memory polymer

    International Nuclear Information System (INIS)

    Guo, Xiaogang; Liu, Liwu; Liu, Yanju; Zhou, Bo; Leng, Jinsong

    2014-01-01

    Recently, increasing applications of shape memory polymers have pushed forward the development of appropriate constitutive models for smart materials such as the shape memory polymer. During the heating process, the phase transition, which is a continuous time-dependent process, happens in the shape memory polymer, and various individual phases will form at different configuration temperatures. In addition, these phases can generally be divided into two parts: the frozen and active phase (Liu Y et al 2006 Int. J. Plast. 22 279–313). During the heating or cooling process, the strain will be stored or released with the occurring phase transition between these two parts. Therefore, a shape memory effect emerges. In this paper, a new type of model was developed to characterize the variation of the volume fraction in a shape memory polymer during the phase transition. In addition to the temperature variation, the applied stress was also taken as a significant influence factor on the phase transition. Based on the experimental results, an exponential equation was proposed to describe the relationship between the stress and phase transition temperature. For the sake of describing the mechanical behaviors of the shape memory polymer, a three-dimensional constitutive model was established. Also, the storage strain, which was the key factor of the shape memory effect, was also discussed in detail. Similar to previous works, we first explored the effect of applied stress on storage strain. Through comparisons with the DMA and the creep experimental results, the rationality and accuracy of the new phase transition and constitutive model were finally verified. (paper)

  8. Characterizing and modeling the pressure- and rate-dependent elastic-plastic-damage behaviors of polypropylene-based polymers

    KAUST Repository

    Pulungan, Ditho Ardiansyah; Yudhanto, Arief; Goutham, Shiva; Lubineau, Gilles; Yaldiz, Recep; Schijve, Warden

    2018-01-01

    Polymers in general exhibit pressure- and rate-dependent behavior. Modeling such behavior requires extensive, costly and time-consuming experimental work. Common simplifications may lead to severe inaccuracy when using the model for predicting

  9. Modelling the short-circuit current of polymer bulk heterojunction solar cells

    International Nuclear Information System (INIS)

    Geens, Wim; Martens, Tom; Poortmans, Jef; Aernouts, Tom; Manca, Jean; Lutsen, Laurence; Heremans, Paul; Borghs, Staf; Mertens, Robert; Vanderzande, Dirk

    2004-01-01

    An analytical model has been developed to estimate the short-circuit current density of conjugated polymer/fullerene bulk heterojunction solar cells. The model takes into account the solvent-dependent molecular morphology of the donor/acceptor blend, which was revealed by transmission electron microscopy. Field-effect transistors based on single and composite organic layers were fabricated to determine values for the charge carrier mobilities of such films. These values served as input parameters of the model. It is shown that the difference in short-circuit current density that was measured between toluene-cast and chlorobenzene-cast conjugated polymer/fullerene photovoltaic cells (Appl. Phys. Lett. 78 (2001) 841) could be very well simulated with the model. Moreover, the calculations illustrate how increasing the hole and electron mobilities in the photoactive blend can improve the overall short-circuit current density of the solar cell

  10. Optical manipulation with two beam traps in microfluidic polymer systems

    DEFF Research Database (Denmark)

    Khoury Arvelo, Maria; Matteucci, Marco; Sørensen, Kristian Tølbøl

    2015-01-01

    An optical trapping system with two opposing laser beams, also known as the optical stretcher, are naturally constructed inside a microfluidic lab-on-chip system. We present and compare two approaches to combine a simple microfluidic system with either waveguides directly written in the microflui......An optical trapping system with two opposing laser beams, also known as the optical stretcher, are naturally constructed inside a microfluidic lab-on-chip system. We present and compare two approaches to combine a simple microfluidic system with either waveguides directly written...

  11. Model of lifetime prediction - Study of the behaviour of polymers and organic matrix composites

    International Nuclear Information System (INIS)

    Colin, X.

    2009-01-01

    The team 'Aging of Organic Materials' of the Process and Engineering Laboratory in Mechanics and Materials (Arts et Metiers, ParisTech) has developed the model of lifetime prediction for the prediction of the behaviour of polymers and organic composites. This model has already given evidence of a real predictive mean for various industrial applications, as for instance the prediction of a rupture under the coupled effect of a mechanical load and a chemical degradation. (O.M.)

  12. Improved model for the angular dependence of excimer laser ablation rates in polymer materials

    Science.gov (United States)

    Pedder, J. E. A.; Holmes, A. S.; Dyer, P. E.

    2009-10-01

    Measurements of the angle-dependent ablation rates of polymers that have applications in microdevice fabrication are reported. A simple model based on Beer's law, including plume absorption, is shown to give good agreement with the experimental findings for polycarbonate and SU8, ablated using the 193 and 248 nm excimer lasers, respectively. The modeling forms a useful tool for designing masks needed to fabricate complex surface relief by ablation.

  13. A directed walk model of a long chain polymer in a slit with attractive walls

    International Nuclear Information System (INIS)

    Brak, R; Owczarek, A L; Rechnitzer, A; Whittington, S G

    2005-01-01

    We present the exact solutions of various directed walk models of polymers confined to a slit and interacting with the walls of the slit via an attractive potential. We consider three geometric constraints on the ends of the polymer and concentrate on the long chain limit. Apart from the general interest in the effect of geometrical confinement, this can be viewed as a two-dimensional model of steric stabilization and sensitized flocculation of colloidal dispersions. We demonstrate that the large width limit admits a phase diagram that is markedly different from the one found in a half-plane geometry, even when the polymer is constrained to be fixed at both ends on one wall. We are not able to find a closed form solution for the free energy for finite width, at all values of the interaction parameters, but we can calculate the asymptotic behaviour for large widths everywhere in the phase plane. This allows us to find the force between the walls induced by the polymer and hence the regions of the plane where either steric stabilization or sensitized flocculation would occur

  14. The Earth System Model

    Science.gov (United States)

    Schoeberl, Mark; Rood, Richard B.; Hildebrand, Peter; Raymond, Carol

    2003-01-01

    The Earth System Model is the natural evolution of current climate models and will be the ultimate embodiment of our geophysical understanding of the planet. These models are constructed from components - atmosphere, ocean, ice, land, chemistry, solid earth, etc. models and merged together through a coupling program which is responsible for the exchange of data from the components. Climate models and future earth system models will have standardized modules, and these standards are now being developed by the ESMF project funded by NASA. The Earth System Model will have a variety of uses beyond climate prediction. The model can be used to build climate data records making it the core of an assimilation system, and it can be used in OSSE experiments to evaluate. The computing and storage requirements for the ESM appear to be daunting. However, the Japanese ES theoretical computing capability is already within 20% of the minimum requirements needed for some 2010 climate model applications. Thus it seems very possible that a focused effort to build an Earth System Model will achieve succcss.

  15. Multiple Linear Regression Modeling To Predict the Stability of Polymer-Drug Solid Dispersions: Comparison of the Effects of Polymers and Manufacturing Methods on Solid Dispersion Stability.

    Science.gov (United States)

    Fridgeirsdottir, Gudrun A; Harris, Robert J; Dryden, Ian L; Fischer, Peter M; Roberts, Clive J

    2018-03-29

    Solid dispersions can be a successful way to enhance the bioavailability of poorly soluble drugs. Here 60 solid dispersion formulations were produced using ten chemically diverse, neutral, poorly soluble drugs, three commonly used polymers, and two manufacturing techniques, spray-drying and melt extrusion. Each formulation underwent a six-month stability study at accelerated conditions, 40 °C and 75% relative humidity (RH). Significant differences in times to crystallization (onset of crystallization) were observed between both the different polymers and the two processing methods. Stability from zero days to over one year was observed. The extensive experimental data set obtained from this stability study was used to build multiple linear regression models to correlate physicochemical properties of the active pharmaceutical ingredients (API) with the stability data. The purpose of these models is to indicate which combination of processing method and polymer carrier is most likely to give a stable solid dispersion. Six quantitative mathematical multiple linear regression-based models were produced based on selection of the most influential independent physical and chemical parameters from a set of 33 possible factors, one model for each combination of polymer and processing method, with good predictability of stability. Three general rules are proposed from these models for the formulation development of suitably stable solid dispersions. Namely, increased stability is correlated with increased glass transition temperature ( T g ) of solid dispersions, as well as decreased number of H-bond donors and increased molecular flexibility (such as rotatable bonds and ring count) of the drug molecule.

  16. Finite element modelling and experimental characterization of an electro-thermally actuated silicon-polymer micro gripper

    International Nuclear Information System (INIS)

    Krecinic, F; Duc, T Chu; Sarro, P M; Lau, G K

    2008-01-01

    This paper presents simulation and experimental characterization of an electro-thermally actuated micro gripper. This micro actuator can conceptually be seen as a bi-morph structure of SU-8 and silicon, actuated by thermal expansion of the polymer. The polymer micro gripper with an embedded comb-like silicon skeleton is designed to reduce unwanted out-of-plane bending of the actuator, while offering a large gripper stroke. The temperature and displacement field of the micro gripper structure is determined using a two-dimensional finite element analysis. This analysis is compared to experimental data from steady-state and transient measurements of the integrated heater resistance, which depends on the average temperature of the actuator. The stability of the polymer actuator is evaluated by recording the transient behaviour of the actual jaw displacements. The maximum single jaw displacement of this micro gripper design is 34 µm at a driving voltage of 4 V and an average actuator temperature of 170 °C. The transient thermal response is modelled by a first-order system with a characteristic time constant of 11.1 ms. The simulated force capability of the device is 0.57 mN per µm jaw displacement

  17. RSMASS system model development

    International Nuclear Information System (INIS)

    Marshall, A.C.; Gallup, D.R.

    1998-01-01

    RSMASS system mass models have been used for more than a decade to make rapid estimates of space reactor power system masses. This paper reviews the evolution of the RSMASS models and summarizes present capabilities. RSMASS has evolved from a simple model used to make rough estimates of space reactor and shield masses to a versatile space reactor power system model. RSMASS uses unique reactor and shield models that permit rapid mass optimization calculations for a variety of space reactor power and propulsion systems. The RSMASS-D upgrade of the original model includes algorithms for the balance of the power system, a number of reactor and shield modeling improvements, and an automatic mass optimization scheme. The RSMASS-D suite of codes cover a very broad range of reactor and power conversion system options as well as propulsion and bimodal reactor systems. Reactor choices include in-core and ex-core thermionic reactors, liquid metal cooled reactors, particle bed reactors, and prismatic configuration reactors. Power conversion options include thermoelectric, thermionic, Stirling, Brayton, and Rankine approaches. Program output includes all major component masses and dimensions, efficiencies, and a description of the design parameters for a mass optimized system. In the past, RSMASS has been used as an aid to identify and select promising concepts for space power applications. The RSMASS modeling approach has been demonstrated to be a valuable tool for guiding optimization of the power system design; consequently, the model is useful during system design and development as well as during the selection process. An improved in-core thermionic reactor system model RSMASS-T is now under development. The current development of the RSMASS-T code represents the next evolutionary stage of the RSMASS models. RSMASS-T includes many modeling improvements and is planned to be more user-friendly. RSMASS-T will be released as a fully documented, certified code at the end of

  18. In situ permeability modification using gelled polymer systems. Topical report, June 10, 1996--April 10, 1997

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Willhite, G.P.; McCool, C.S.; Heppert, J.A.; Vossoughi, S.

    1997-10-01

    Results from a research program on the application of gelled polymer technology for in situ permeability modification are presented in this report. The objective of this technology when used with displacement processes such as waterflooding is to reduce the permeability in fractures and/or high permeability matrix zones to improve volumetric sweep efficiency of the displacement process. In production wells, the objective is to reduce water influx. The research program is focused on five areas: gel treatment in fractured systems; gel treatment in carbonate rocks; in-depth placement of gels; gel systems for application in carbon dioxide flooding; and gel treatment in production wells. The research program is primarily an experimental program directed at improving the understanding of gelled polymer systems and how these systems can be used to increase oil recovery from petroleum reservoirs. A summary of progress for research conducted in the first 10 months of a 28 month program is described in the following sections.

  19. In situ permeability modification using gelled polymer systems. Annual report, April 11, 1997--April 10, 1998

    Energy Technology Data Exchange (ETDEWEB)

    Green, D.W.; Willhite, G.P.; McCool, C.S.; Heppert, J.A.; Vossoughi, S.; Michnick, M.J.

    1998-09-01

    Results from a research program on the application of gelled polymer technology for in situ permeability modification are presented in this report. The objective of this technology when used with displacement processes such as waterflooding is to reduce the permeability in fractures and/or high permeability matrix zones to improve volumetric sweep efficiency of the displacement process. In production wells, the objective is to reduce water influx. The research program focused on five areas: Gel treatment in fractured systems; Gel treatment in carbonate rocks; In-depth placement of gels; Gel systems for application in carbon dioxide flooding; and Gel treatment in production wells. The research program is primarily an experimental program directed toward improving the understanding of gelled polymer systems and how these systems can be used to increase oil recovery from petroleum reservoirs. A summary of progress for research conducted in the second 12 month period of a 28 month program is described.

  20. Polarization and switching properties of holographic polymer-dispersed liquid-crystal gratings. I. Theoretical model

    Science.gov (United States)

    Sutherland, Richard L.

    2002-12-01

    Polarization properties and electro-optical switching behavior of holographic polymer-dispersed liquid-crystal (HPDLC) reflection and transmission gratings are studied. A theoretical model is developed that combines anisotropic coupled-wave theory with an elongated liquid-crystal-droplet switching model and includes the effects of a statistical orientational distribution of droplet-symmetry axes. Angle- and polarization-dependent switching behaviors of HPDLC gratings are elucidated, and the effects on dynamic range are described. A new type of electro-optical switching not seen in ordinary polymer-dispersed liquid crystals, to the best of the author's knowledge, is presented and given a physical interpretation. The model provides valuable insight to the physics of these gratings and can be applied to the design of HPDLC holographic optical elements.

  1. Particle-in-a-box model of one-dimensional excitons in conjugated polymers

    Science.gov (United States)

    Pedersen, Thomas G.; Johansen, Per M.; Pedersen, Henrik C.

    2000-04-01

    A simple two-particle model of excitons in conjugated polymers is proposed as an alternative to usual highly computationally demanding quantum chemical methods. In the two-particle model, the exciton is described as an electron-hole pair interacting via Coulomb forces and confined to the polymer backbone by rigid walls. Furthermore, by integrating out the transverse part, the two-particle equation is reduced to one-dimensional form. It is demonstrated how essentially exact solutions are obtained in the cases of short and long conjugation length, respectively. From a linear combination of these cases an approximate solution for the general case is obtained. As an application of the model the influence of a static electric field on the electron-hole overlap integral and exciton energy is considered.

  2. Controlled release system for ametryn using polymer microspheres: Preparation, characterization and release kinetics in water

    International Nuclear Information System (INIS)

    Grillo, Renato; Pereira, Anderson do Espirito Santo; Ferreira Silva de Melo, Nathalie; Porto, Raquel Martins; Feitosa, Leandro Oliveira; Tonello, Paulo Sergio; Dias Filho, Newton L.; Rosa, Andre Henrique; Lima, Renata; Fraceto, Leonardo Fernandes

    2011-01-01

    The purpose of this work was to develop a modified release system for the herbicide ametryn by encapsulating the active substance in biodegradable polymer microparticles produced using the polymers poly(hydroxybutyrate) (PHB) or poly(hydroxybutyrate-valerate) (PHBV), in order to both improve the herbicidal action and reduce environmental toxicity. PHB or PHBV microparticles containing ametryn were prepared and the efficiencies of herbicide association and loading were evaluated, presenting similar values of approximately 40%. The microparticles were characterized by scanning electron microscopy (SEM), which showed that the average sizes of the PHB and PHBV microparticles were 5.92 ± 0.74 μm and 5.63 ± 0.68 μm, respectively. The ametryn release profile was modified when it was encapsulated in the microparticles, with slower and more sustained release compared to the release profile of pure ametryn. When ametryn was associated with the PHB and PHBV microparticles, the amount of herbicide released in the same period of time was significantly reduced, declining to 75% and 87%, respectively. For both types of microparticle (PHB and PHBV) the release of ametryn was by diffusion processes due to anomalous transport (governed by diffusion and relaxation of the polymer chains), which did not follow Fick's laws of diffusion. The results presented in this paper are promising, in view of the successful encapsulation of ametryn in PHB or PHBV polymer microparticles, and indications that this system may help reduce the impacts caused by the herbicide, making it an environmentally safer alternative.

  3. Molecular Modeling of Aerospace Polymer Matrices Including Carbon Nanotube-Enhanced Epoxy

    Science.gov (United States)

    Radue, Matthew S.

    Carbon fiber (CF) composites are increasingly replacing metals used in major structural parts of aircraft, spacecraft, and automobiles. The current limitations of carbon fiber composites are addressed through computational material design by modeling the salient aerospace matrix materials. Molecular Dynamics (MD) models of epoxies with and without carbon nanotube (CNT) reinforcement and models of pure bismaleimides (BMIs) were developed to elucidate structure-property relationships for improved selection and tailoring of matrices. The influence of monomer functionality on the mechanical properties of epoxies is studied using the Reax Force Field (ReaxFF). From deformation simulations, the Young's modulus, yield point, and Poisson's ratio are calculated and analyzed. The results demonstrate an increase in stiffness and yield strength with increasing resin functionality. Comparison between the network structures of distinct epoxies is further advanced by the Monomeric Degree Index (MDI). Experimental validation demonstrates the MD results correctly predict the relationship in Young's moduli for all epoxies modeled. Therefore, the ReaxFF is confirmed to be a useful tool for studying the mechanical behavior of epoxies. While epoxies have been well-studied using MD, there has been no concerted effort to model cured BMI polymers due to the complexity of the network-forming reactions. A novel, adaptable crosslinking framework is developed for implementing 5 distinct cure reactions of Matrimid-5292 (a BMI resin) and investigating the network structure using MD simulations. The influence of different cure reactions and extent of curing are analyzed on the several thermo-mechanical properties such as mass density, glass transition temperature, coefficient of thermal expansion, elastic moduli, and thermal conductivity. The developed crosslinked models correctly predict experimentally observed trends for various properties. Finally, the epoxies modeled (di-, tri-, and tetra

  4. Systemic resilience model

    International Nuclear Information System (INIS)

    Lundberg, Jonas; Johansson, Björn JE

    2015-01-01

    It has been realized that resilience as a concept involves several contradictory definitions, both for instance resilience as agile adjustment and as robust resistance to situations. Our analysis of resilience concepts and models suggest that beyond simplistic definitions, it is possible to draw up a systemic resilience model (SyRes) that maintains these opposing characteristics without contradiction. We outline six functions in a systemic model, drawing primarily on resilience engineering, and disaster response: anticipation, monitoring, response, recovery, learning, and self-monitoring. The model consists of four areas: Event-based constraints, Functional Dependencies, Adaptive Capacity and Strategy. The paper describes dependencies between constraints, functions and strategies. We argue that models such as SyRes should be useful both for envisioning new resilience methods and metrics, as well as for engineering and evaluating resilient systems. - Highlights: • The SyRes model resolves contradictions between previous resilience definitions. • SyRes is a core model for envisioning and evaluating resilience metrics and models. • SyRes describes six functions in a systemic model. • They are anticipation, monitoring, response, recovery, learning, self-monitoring. • The model describes dependencies between constraints, functions and strategies

  5. COMBINED MICROBIAL SURFACTANT-POLYMER SYSTEM FOR IMPROVED OIL MOBILITY AND CONFORMANCE CONTROL

    Energy Technology Data Exchange (ETDEWEB)

    Jorge Gabitto; Maria Barrufet

    2004-08-01

    Many domestic oil fields are facing abandonment even though they still contain two-thirds of their original oil. A significant number of these fields can yield additional oil using advanced oil recovery (AOR) technologies. To maintain domestic oil production at current levels, AOR technologies are needed that are affordable and can be implemented by independent oil producers of the future. Microbial enhanced oil recovery (MEOR) technologies have become established as cost-effective solutions for declining oil production. MEOR technologies are affordable for independent producers operating stripper wells and can be used to extend the life of marginal fields. The demonstrated versatility of microorganisms can be used to design advanced microbial systems to treat multiple production problems in complex, heterogeneous reservoirs. The proposed research presents the concept of a combined microbial surfactant-polymer system for advanced oil recovery. The surfactant-polymer system utilizes bacteria that are capable of both biosurfactant production and metabolically-controlled biopolymer production. This novel technology combines complementary mechanisms to extend the life of marginal fields and is applicable to a large number of domestic reservoirs. The research project described in this report is performed jointly by, Bio-Engineering Inc., a woman owned small business, Texas A&M University and Prairie View A&M University, a Historically Black College and University. This report describes the results of our laboratory work to grow microbial cultures and the work done on recovery experiments on core rocks. We have selected two bacterial strains capable of producing both surfactant and polymers. We have conducted laboratory experiments to determine under what conditions surfactants and polymers can be produced from one single strain. We have conduct recovery experiments to determine the performance of these strains under different conditions. Our results do not show a

  6. Selected System Models

    Science.gov (United States)

    Schmidt-Eisenlohr, F.; Puñal, O.; Klagges, K.; Kirsche, M.

    Apart from the general issue of modeling the channel, the PHY and the MAC of wireless networks, there are specific modeling assumptions that are considered for different systems. In this chapter we consider three specific wireless standards and highlight modeling options for them. These are IEEE 802.11 (as example for wireless local area networks), IEEE 802.16 (as example for wireless metropolitan networks) and IEEE 802.15 (as example for body area networks). Each section on these three systems discusses also at the end a set of model implementations that are available today.

  7. 35-We polymer electrolyte membrane fuel cell system for notebook computer using a compact fuel processor

    Science.gov (United States)

    Son, In-Hyuk; Shin, Woo-Cheol; Lee, Yong-Kul; Lee, Sung-Chul; Ahn, Jin-Gu; Han, Sang-Il; kweon, Ho-Jin; Kim, Ju-Yong; Kim, Moon-Chan; Park, Jun-Yong

    A polymer electrolyte membrane fuel cell (PEMFC) system is developed to power a notebook computer. The system consists of a compact methanol-reforming system with a CO preferential oxidation unit, a 16-cell PEMFC stack, and a control unit for the management of the system with a d.c.-d.c. converter. The compact fuel-processor system (260 cm 3) generates about 1.2 L min -1 of reformate, which corresponds to 35 We, with a low CO concentration (notebook computers.

  8. 35-We polymer electrolyte membrane fuel cell system for notebook computer using a compact fuel processor

    Energy Technology Data Exchange (ETDEWEB)

    Son, In-Hyuk; Shin, Woo-Cheol; Lee, Sung-Chul; Ahn, Jin-Gu; Han, Sang-Il; kweon, Ho-Jin; Kim, Ju-Yong; Park, Jun-Yong [Energy 1 Group, Energy Laboratory at Corporate R and D Center in Samsung SDI Co., Ltd., 575, Shin-dong, Yeongtong-gu, Suwon-si, Gyeonggi-do 443-731 (Korea); Lee, Yong-Kul [Department of Chemical Engineering, Dankook University, Youngin 448-701 (Korea); Kim, Moon-Chan [Department of Environmental Engineering, Chongju University, Chongju 360-764 (Korea)

    2008-10-15

    A polymer electrolyte membrane fuel cell (PEMFC) system is developed to power a notebook computer. The system consists of a compact methanol-reforming system with a CO preferential oxidation unit, a 16-cell PEMFC stack, and a control unit for the management of the system with a d.c.-d.c. converter. The compact fuel-processor system (260 cm{sup 3}) generates about 1.2 L min{sup -1} of reformate, which corresponds to 35 We, with a low CO concentration (<30 ppm, typically 0 ppm), and is thus proven to be capable of being targetted at notebook computers. (author)

  9. Sustained analgesic effect of clonidine co-polymer depot in a porcine incisional pain model

    Directory of Open Access Journals (Sweden)

    Wilsey JT

    2018-04-01

    Full Text Available Jared T Wilsey, Julie H Block Medtronic Spine Division, Memphis, TN, USA Background: Previous research suggests that the α2 adrenergic agonist clonidine, a centrally acting analgesic and antihypertensive, may also have direct effects on peripheral pain generators. However, aqueous injections are limited by rapid systemic absorption leading to off target effects and a brief analgesic duration of action. Purpose: The aim of this study was to examine the efficacy of a sustained-release clonidine depot, placed in the wound bed, in a pig incisional pain model. Methods: The depot was a 15 mm ×5 mm ×0.3 mm poly(lactide-co-caprolactone polymer film containing 3% (w/w clonidine HCl (MDT3. Fifty-two young adult mix Landrace pigs (9–11 kg were divided into seven groups. All subjects received a 6 cm, full-thickness, linear incision into the left lateral flank. Group 1 served as a Sham control group (Sham, n=8. Group 2 received three placebo strips (PBO, n=8, placed end-to-end in the subcutaneous wound bed before wound closure. Group 3 received one MDT3 and two PBO (n=8, Group 4 received two MDT3 and one PBO (n=8, and Group 5 received three MDT3 (n=8. Positive control groups received peri-incisional injections of bupivacaine solution (Group 6, 30 mg/day bupivacaine, n=8 or clonidine solution (Group 7, 225 µg/day, n=4. Results: The surgical procedure was associated with significant peri-incisional tactile allodynia. There was a dose-dependent effect of MDT3 in partially reversing the peri-incisional tactile allodynia, with maximum pain relief relative to Sham at 72 hours. Daily injections of bupivacaine (30 mg, but not clonidine (up to 225 µg, completely reversed allodynia within 48 hours. There was a statistically significant correlation between the dose of MDT3 and cumulative withdrawal threshold from 4 hours through the conclusion of the study on day 7. Conclusion: These data suggest that a sustained-release clonidine depot may be a

  10. Modeling of robotic fish propelled by an ionic polymer-metal composite caudal fin

    Science.gov (United States)

    Chen, Zheng; Shatara, Stephan; Tan, Xiaobo

    2009-03-01

    In this paper, a model is proposed for a biomimetic robotic fish propelled by an ionic polymer metal composite (IPMC) actuator with a rigid passive fin at the end. The model incorporates both IPMC actuation dynamics and the hydrodynamics, and predicts the steady-state speed of the robot under a periodic actuation voltage. Experimental results have shown that the proposed model can predict the fish motion for different tail dimensions. Since its parameters are expressed in terms of physical properties and geometric dimensions, the model is expected to be instrumental in optimal design of the robotic fish.

  11. Parallelized event chain algorithm for dense hard sphere and polymer systems

    International Nuclear Information System (INIS)

    Kampmann, Tobias A.; Boltz, Horst-Holger; Kierfeld, Jan

    2015-01-01

    We combine parallelization and cluster Monte Carlo for hard sphere systems and present a parallelized event chain algorithm for the hard disk system in two dimensions. For parallelization we use a spatial partitioning approach into simulation cells. We find that it is crucial for correctness to ensure detailed balance on the level of Monte Carlo sweeps by drawing the starting sphere of event chains within each simulation cell with replacement. We analyze the performance gains for the parallelized event chain and find a criterion for an optimal degree of parallelization. Because of the cluster nature of event chain moves massive parallelization will not be optimal. Finally, we discuss first applications of the event chain algorithm to dense polymer systems, i.e., bundle-forming solutions of attractive semiflexible polymers

  12. Non-homogeneous polymer model for wave propagation and its ...

    African Journals Online (AJOL)

    user

    density are functions of space i.e. non-homogeneous engineering material. .... The Solution of equation Eq. (9) in the form of Eq. (10) can be obtained by taking a phase ..... Viscoelastic Model Applied to a Particular Case .... p m i exp m α α σ σ σ. = −. +. −. (35). The progressive harmonic wave which starts from the end. 0 x =.

  13. Modeling cellular systems

    CERN Document Server

    Matthäus, Franziska; Pahle, Jürgen

    2017-01-01

    This contributed volume comprises research articles and reviews on topics connected to the mathematical modeling of cellular systems. These contributions cover signaling pathways, stochastic effects, cell motility and mechanics, pattern formation processes, as well as multi-scale approaches. All authors attended the workshop on "Modeling Cellular Systems" which took place in Heidelberg in October 2014. The target audience primarily comprises researchers and experts in the field, but the book may also be beneficial for graduate students.

  14. Ion beam irradiation as a tool to improve the ionic conductivity in solid polymer electrolyte systems

    Energy Technology Data Exchange (ETDEWEB)

    Manjunatha, H., E-mail: h-manjunath@blr.amrita.edu; Kumaraswamy, G. N. [Department of Physics, Amrita Vishwa Vidyapeetham, Bengaluru-560 035 (India); Damle, R. [Department of Physics, Bangalore University, Bengaluru-560 056 (India)

    2016-05-06

    Solid polymer electrolytes (SPEs) have potential applications in solid state electronic and energy devices. The optimum conductivity of SPEs required for such applications is about 10{sup −1} – 10{sup −3} Scm{sup −1}, which is hard to achieve in these systems. It is observed that ionic conductivity of SPEs continuously increase with increasing concentration of inorganic salt in the host polymer. However, there is a critical concentration of the salt beyond which the conductivity of SPEs decreases due to the formation of ion pairs. In the present study, solid polymer thin films based on poly (ethylene oxide) (PEO) complexed with NaBr salt with different concentrations have been prepared and the concentration at which ion pair formation occurs in PEO{sub x}NaBr is identified. The microstructure of the SPE with highest ionic conductivity is modified by irradiating it with low energy O{sup +1} ion (100 keV) of different fluencies. It is observed that the ionic conductivity of irradiated SPEs increases by one order in magnitude. The increase in ionic conductivity may be attributed to the enhanced segmental motion of the polymer chains due to radiation induced micro structural modification.

  15. ToF-SIMS and Laser-SNMS Imaging of Heterogeneous Topographically Complex Polymer Systems.

    Science.gov (United States)

    Pelster, Andreas; Körsgen, Martin; Kurosawa, Takako; Morita, Hiromi; Arlinghaus, Heinrich F

    2016-10-04

    Heterogeneous polymer coatings, such as those used in organic electronics and medical devices, are of increasing industrial importance. In order to advance the development of these types of systems, analytical techniques are required which are able to determine the elemental and molecular spatial distributions, on a nanometer scale, with very high detection efficiency and sensitivity. The goal of this study was to investigate the suitability of laser postionization secondary neutral mass spectrometry (Laser-SNMS) with a 157 nm postionization laser beam to image structured polymer mixtures and compare the results with time-of-flight secondary ion mass spectrometry (ToF-SIMS) measurements using Bi 3 + primary ions. The results showed that Laser-SNMS is better suited than ToF-SIMS for unambiguous detection and submicrometer imaging of the wide range of polymers investigated. The data also showed that Laser-SNMS has the advantage of being much more sensitive (in general higher by more than an order of magnitude and peaking at up to 3 orders of magnitude) than ToF-SIMS while also showing superior performance on topographically complex structured insulating surfaces, due to significantly reduced field effects and a higher dynamic range as compared to ToF-SIMS. It is concluded that Laser-SNMS is a powerful complementary technique to ToF-SIMS for the analysis of heterogeneous polymers and other complex structured organic mixtures, providing submicrometer resolution and high sensitivity.

  16. Soft X-ray spectromicroscopy of biological and synthetic polymer systems

    International Nuclear Information System (INIS)

    Hitchcock, A.; Morin, C.; Araki, T.; Zhang, X.; Dynes, J.; Stover, H.; Brash, J.

    2004-01-01

    Full text: Scanning transmission X-ray microscopy (STXM) and X-ray photoemission electron microscopy (X-PEEM) are synchrotron based, soft X-ray spectromicroscopy techniques which provide chemical speciation at 50 nm spatial resolution based on near edge X-ray absorption spectral (NEXAFS) contrast. The instrumentation and techniques of soft X-ray spectro- microscopy will be described and illustrated with applications to wet biofilms, protein interactions with patterned polymer surfaces, and polymer microstructure optimization. STXM can be applied to samples in air, He, vacuum, or a fully hydrated environment. With many collaborators, my group is using STXM to study fundamental and applied aspects of polymer microstructure, to map metal ions and anti-microbial agents in wet biofilms, and to identify sites of selective adsorption of proteins on phase separated polymer thin films in the presence of an overlayer of protein solution. X-PEEM has greater surface sensitivity than STXM but requires a flat, conductive, and vacuum-compatible sample. Comparison of X-PEEM and STXM for the same system - fibrinogen adsorption on a PS:PMMA blend, will be used to illustrate advantages and limitations of each technique. Measurements at 5.3.2 STXM and 7.3.1 PEEM at the Advanced Light Source, funded by DoE under contract DE-AC03- 76SF00098. Research supported by NSERC (Canada), AFMnet (Advanced Food and Biomaterials Network) and the Canada Research Chair program

  17. Plasma coatings of nitrogen polymers on metal prostheses of the circulatory system

    International Nuclear Information System (INIS)

    Gomez J, L. M.

    2016-01-01

    This work has a study about the synthesis of poly aniline, poly allylamine and poly pyrrole doped with iodine onto metallic surfaces similar to stents for the circulatory system. Ar, water and hydrogen peroxide plasmas were used for eroding, conditioning and synthesizing polymers that potentially reduce some rejection reactions when stents are implanted in the human body. Stents are small metallic meshes that applied inside collapsed arteries or veins enlarge the diameter and restore the blood flow, however the metallic surfaces usually cause rejection reactions that obstruct the veins again. To give solutions to this problem, in this work is studied the synthesis of biocompatible polymer coatings on the stents that resist the blood flow forming a biocompatible interface between metal and blood. The metallic substrates were eroded and chemically prepared with Ar, H_2O and/or H_2O_2 glow discharges on which the polymers were synthesized by plasma. The coatings were morphologically characterized by optical, scanning electron and atomic force microscopy, the chemical structure was studied by infrared and photoelectron X-ray spectroscopy. The hydrophilicity was studied measuring the advance static contact angle and the adhesion was evaluated indirectly with scanning electron microscopy after two months submerged in buffered phosphate solutions. The results indicate that the polymers grew following the superficial morphology; that the conditioning with Ar ions erode the substrates and that the conditioning with H_2O or H_2O_2 erodes and activates the surface generating oxygen bridges which help in the polymer-metal adhesion. The chemical structure of the polymeric coatings contain crosslinked structures that correspond to links between monomers with the participation of all atoms, states that suggest monomer fragmentation and oxidation and states that indicate oxygen bridges in the polymers. The coatings had contact angles close to 90 degrees where is located the line

  18. Development of self-healing polymers via amine–epoxy chemistry: I. Properties of healing agent carriers and the modelling of a two-part self-healing system

    International Nuclear Information System (INIS)

    Zhang, He; Yang, Jinglei

    2014-01-01

    Two types of healing agent carriers (microcapsules containing epoxy solution, referred to as EP-capsules, and etched hollow glass bubbles (HGBs) loaded with amine solution, referred to as AM-HGBs) used in self-healing epoxy systems were prepared and characterized in this study. The core percentages were measured at about 80 wt% and 33 wt% for EP-capsules and AM-HGBs, respectively. The loaded amine in AM-HGB, after incorporation into the epoxy matrix, showed high stability at ambient temperature, but diffused out gradually during heat treatment at 80 °C. The amount and the mass ratio of the two released healants at the crack plane were correlated with the size, concentration, and core percentage of the healing agent carriers. A simplified cubic array model for randomly distributed healing agent carriers was adopted to depict the longest diffusion distance of the released healants, which is inversely proportional to the cubic root of the carrier concentration. (papers)

  19. Hybrid and hierarchical nanoreinforced polymer composites: Computational modelling of structure–properties relationships

    DEFF Research Database (Denmark)

    Mishnaevsky, Leon; Dai, Gaoming

    2014-01-01

    by using computational micromechanical models. It is shown that while glass/carbon fibers hybrid composites clearly demonstrate higher stiffness and lower weight with increasing the carbon content, they can have lower strength as compared with usual glass fiber polymer composites. Secondary...... nanoreinforcement can drastically increase the fatigue lifetime of composites. Especially, composites with the nanoplatelets localized in the fiber/matrix interface layer (fiber sizing) ensure much higher fatigue lifetime than those with the nanoplatelets in the matrix....

  20. Implicit implementation and consistent tangent modulus of a viscoplastic model for polymers

    OpenAIRE

    ACHOUR, Nadia; CHATZIGEORGIOU, George; MERAGHNI, Fodil; CHEMISKY, Yves; FITOUSSI, Joseph

    2015-01-01

    In this work, the phenomenological viscoplastic DSGZ model (Duan et al., 2001 [13]), developed for glassy or semi-crystalline polymers, is numerically implemented in a three-dimensional framework, following an implicit formulation. The computational methodology is based on the radial return mapping algorithm. This implicit formulation leads to the definition of the consistent tangent modulus which permits the implementation in incremental micromechanical scale transition analysis. The extende...

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

    International Nuclear Information System (INIS)

    Minelli, Matteo; Doghieri, Ferruccio

    2014-01-01

    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. Modelling of the charge carrier mobility in disordered linear polymer materials

    Czech Academy of Sciences Publication Activity Database

    Toman, Petr; Menšík, Miroslav; Bartkowiak, W.; Pfleger, Jiří

    2017-01-01

    Roč. 19, č. 11 (2017), s. 7760-7771 ISSN 1463-9076 R&D Projects: GA ČR(CZ) GA15-05095S Grant - others:AV ČR(CZ) M200501204 Program:M Institutional support: RVO:61389013 Keywords : charge carrier mobility * conjugated polymer * charge transport modelling Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 4.123, year: 2016

  3. Modeling and analysis rheology of polymers for application in technologies “self-crimping” and its adaptation to the practices of Polymer Materials Engineering

    Directory of Open Access Journals (Sweden)

    N. Montanes

    2017-01-01

    Full Text Available Polymers are manufactured in molted state, so the rheological properties are mandatory in order to analyse and evaluate its processability. The prediction of the viscoelastic response of a material and the simulation of the behavior of the same when it is processed is achieved with the application of the rheological models. In  the  preparation  by  extrusion  of  bicomponent  polymer fibers  with  self-crimping  effect  it  is  essential that  the  two  components  have  the  same  viscosity  at  the  nozzle  outlet.  In  order  to  obtain  such  viscosity each  component must  be  extruded  at a  different  temperature maintaining  all  other  processing  conditions unchanged. Using Cross-WLF rheological modelization is it feasible to determine the temperatures for two polymeric materials in order to obtain the same melt viscosity. In the current work a practical session has been proposed for students of Materials Engineering. Using a capillary rheometer, the students should be able to determine the rheological behavior of two thermoplastic polymers. After adjusting the behavior of the polymers to Cross-WLF model and using the proposed model the students should be able to determine the temperatures in which both polymers have the same viscosity.

  4. Lysozyme-responsive polymer systems for detection of infection

    NARCIS (Netherlands)

    Schiffer, Doris; Verient, Vanessa; Luschnig, Daniel; Blokhuis-Arkes, Miriam H.E.; van der Palen, Job J.A.M.; Gamerith, Clemens; Burnet, Michael; Sigl, Eva; Heinzle, Andrea; Guebitz, Georg M.

    2015-01-01

    There is a strong need for new point-of-care systems for the detection of wound infection. Overseen infections in chronic wounds induce severe complications, such as delayed healing and high risks for the patients, while time-consuming common gold and silver standard methods for infection assessment

  5. From precision polymers to complex materials and systems

    NARCIS (Netherlands)

    Lutz, J.F.; Lehn, J.M.; Meijer, E.W.; Matyjaszewski, K.

    2016-01-01

    Complex chemical systems, such as living biological matter, are highly organized structures based on discrete molecules in constant dynamic interactions. These natural materials can evolve and adapt to their environment. By contrast, man-made materials exhibit simpler properties. In this Review, we

  6. Influence of electron-phonon interaction on soliton mediated spin-charge conversion effects in two-component polymer model

    International Nuclear Information System (INIS)

    Sergeenkov, S.; Moraes, F.; Furtado, C.; Araujo-Moreira, F.M.

    2010-01-01

    By mapping a Hubbard-like model describing a two-component polymer in the presence of strong enough electron-phonon interactions (κ) onto the system of two coupled nonlinear Schroedinger equations with U(2) symmetry group, some nontrivial correlations between topological solitons mediated charge Q and spin S degrees of freedom are obtained. Namely, in addition to a charge fractionalization and reentrant like behavior of both Q(κ) and S(κ), the model also predicts a decrease of soliton velocity with κ as well as spin-charge conversion effects which manifest themselves through an explicit S(Q,Ω) dependence (with Ω being a mixing angle between spin-up and spin-down electron amplitudes). A possibility to observe the predicted effects in low-dimensional systems with charge and spin soliton carriers is discussed.

  7. A phenomenological constitutive model for the nonlinear viscoelastic responses of biodegradable polymers

    KAUST Repository

    Khan, Kamran

    2012-11-09

    We formulate a constitutive framework for biodegradable polymers that accounts for nonlinear viscous behavior under regimes with large deformation. The generalized Maxwell model is used to represent the degraded viscoelastic response of a polymer. The large-deformation, time-dependent behavior of viscoelastic solids is described using an Ogden-type hyperviscoelastic model. A deformation-induced degradation mechanism is assumed in which a scalar field depicts the local state of the degradation, which is responsible for the changes in the material\\'s properties. The degradation process introduces another timescale (the intrinsic material clock) and an entropy production mechanism. Examples of the degradation of a polymer under various loading conditions, including creep, relaxation and cyclic loading, are presented. Results from parametric studies to determine the effects of various parameters on the process of degradation are reported. Finally, degradation of an annular cylinder subjected to pressure is also presented to mimic the effects of viscoelastic arterial walls (the outer cylinder) on the degradation response of a biodegradable stent (the inner cylinder). A general contact analysis is performed. As the stiffness of the biodegradable stent decreases, stress reduction in the stented viscoelastic arterial wall is observed. The integration of the proposed constitutive model with finite element software could help a designer to predict the time-dependent response of a biodegradable stent exhibiting finite deformation and under complex mechanical loading conditions. © 2012 Springer-Verlag Wien.

  8. Thermodynamics of a Compressible Maier-Saupe Model Based on the Self-Consistent Field Theory of Wormlike Polymer

    Directory of Open Access Journals (Sweden)

    Ying Jiang

    2017-02-01

    Full Text Available This paper presents a theoretical formalism for describing systems of semiflexible polymers, which can have density variations due to finite compressibility and exhibit an isotropic-nematic transition. The molecular architecture of the semiflexible polymers is described by a continuum wormlike-chain model. The non-bonded interactions are described through a functional of two collective variables, the local density and local segmental orientation tensor. In particular, the functional depends quadratically on local density-variations and includes a Maier–Saupe-type term to deal with the orientational ordering. The specified density-dependence stems from a free energy expansion, where the free energy of an isotropic and homogeneous homopolymer melt at some fixed density serves as a reference state. Using this framework, a self-consistent field theory is developed, which produces a Helmholtz free energy that can be used for the calculation of the thermodynamics of the system. The thermodynamic properties are analysed as functions of the compressibility of the model, for values of the compressibility realizable in mesoscopic simulations with soft interactions and in actual polymeric materials.

  9. Polymeric reaction of polymer-monomer system for pressure sensitive adhesives by low energy electron beam

    International Nuclear Information System (INIS)

    Takiguchi, R.; Uryu, T.

    1985-01-01

    Application of low-energy electron beam to non-solvent type pressure sensitive adhesives is investigated. The adhesive properties such as peel strength and holding time (dead-load strength) were closely related to the reaction of acrylate polymer-monomer systems. The reaction behavior is elucidated by combining the measurement of gel fraction, infrared spectrum of gel, and the molecular weight distribution detected by gel permeation chromatography. It was important for the production of pressure sensitive adhesives by electron beam that the adhesive with high peel strength and long holding time is composed of a proper combination of three factors, that is, about 35% gel fraction, 25% monomer units in gel, and 15% graft efficiency by irradiating the polymer-monomer system containing low molecular weight poly (butyl acrylate). (author)

  10. A mechanical model of a non-uniform ionomeric polymer metal composite actuator

    International Nuclear Information System (INIS)

    Anton, Mart; Aabloo, Alvo; Punning, Andres; Kruusmaa, Maarja

    2008-01-01

    This paper describes a mechanical model of an IPMC (ionomeric polymer metal composite) actuator in a cantilever beam configuration. The main contribution of our model is that it gives the most detailed description reported so far of the quasistatic mechanical behaviour of the actuator with non-uniform bending at large deflections. We also investigate a case where part of an IPMC actuator is replaced with a rigid elongation and demonstrate that this configuration would make the actuator behave more linearly. The model is experimentally validated with MuscleSheet(TM) IPMCs, purchased from BioMimetics Inc

  11. The formation of dissipative structures in polymers as a model of synergy

    Directory of Open Access Journals (Sweden)

    Khanchich Oleg A.

    2016-01-01

    Full Text Available Synergetic is an interdisciplinary area and describes the emergence of various kinds of structures, using the representation of the natural sciences. In this paper we studied the conditions for the appearance of thermodynamically stable amorphous-crystalline supramolecular structures on the basis of practical importance for the production of heat-resistant high-strength polymer fibers semi-rigid systems. It is found that in the process of structure formation in the coagulation of the polymer from solutions having supramolecular structures area a definite geometric shape and dimensions. Pattern formation in such systems can simulate the processes studied synergy. This is occurring in the process of self-organization of dissipative structures, transitions from one structure to another. This most discussed matter of self-organization on the “optical” scale level, are observed spherulites have a “correct” form and certain geometric dimensions comparable to the wavelength of visible light. Previously, this polymer does not crystallize at all considered. It is shown that for the study of supramolecular structures are the most convenient and informative experimental approaches are polarization-optical methods, which are directly “tuned” to the optical anisotropy of the structure and morphology. The great advantage of these methods is also possible to study the kinetics of structure formation processes without interfering the system under study.

  12. Modeling and Simulation of Fiber Orientation in Injection Molding of Polymer Composites

    Directory of Open Access Journals (Sweden)

    Jang Min Park

    2011-01-01

    Full Text Available We review the fundamental modeling and numerical simulation for a prediction of fiber orientation during injection molding process of polymer composite. In general, the simulation of fiber orientation involves coupled analysis of flow, temperature, moving free surface, and fiber kinematics. For the governing equation of the flow, Hele-Shaw flow model along with the generalized Newtonian constitutive model has been widely used. The kinematics of a group of fibers is described in terms of the second-order fiber orientation tensor. Folgar-Tucker model and recent fiber kinematics models such as a slow orientation model are discussed. Also various closure approximations are reviewed. Therefore, the coupled numerical methods are needed due to the above complex problems. We review several well-established methods such as a finite-element/finite-different hybrid scheme for Hele-Shaw flow model and a finite element method for a general three-dimensional flow model.

  13. A Simple Opto-Fluidic Switch Detecting Liquid Filling in Polymer-Based Microfluidic Systems

    DEFF Research Database (Denmark)

    Bundgaard, Frederik; Geschke, Oliver; Zengerle, R

    2007-01-01

    A novel detection scheme for detection of liquid levels and bubbles in microfluidic systems, using the principle of total internal reflection (TIR) is presented. A laser beam impinges on the side walls of a channel which are inclined at 45deg. In an unfilled channel of such a "V-groove", TIR defl...... of the microfluidic channels. The machining of the V-groves can seamlessly be integrated into common polymer microfabrication schemes such as injection molding....

  14. Modeling of the (liquid + liquid) equilibrium of polydisperse hyperbranched polymer solutions by lattice-cluster theory

    International Nuclear Information System (INIS)

    Enders, Sabine; Browarzik, Dieter

    2014-01-01

    Graphical abstract: - Highlights: • Calculation of the (liquid + liquid) equilibrium of hyperbranched polymer solutions. • Description of branching effects by the lattice-cluster theory. • Consideration of self- and cross association by chemical association models. • Treatment of the molar-mass polydispersity by the use of continuous thermodynamics. • Improvement of the theoretical results by the incorporation of polydispersity. - Abstract: The (liquid + liquid) equilibrium of solutions of hyperbranched polymers of the Boltorn type is modeled in the framework of lattice-cluster theory. The association effects are described by the chemical association models CALM (for self association) and ECALM (for cross association). For the first time the molar mass polydispersity of the hyperbranched polymers is taken into account. For this purpose continuous thermodynamics is applied. Because the segment-molar excess Gibbs free energy depends on the number average of the segment number of the polymer the treatment is more general than in previous papers on continuous thermodynamics. The polydispersity is described by a generalized Schulz–Flory distribution. The calculation of the cloud-point curve reduces to two equations that have to be numerically solved. Conditions for the calculation of the spinodal curve and of the critical point are derived. The calculated results are compared to experimental data taken from the literature. For Boltorn solutions in non-polar solvents the polydispersity influence is small. In all other of the considered cases polydispersity influences the (liquid + liquid) equilibrium considerably. However, association and polydispersity influence phase equilibrium in a complex manner. Taking polydispersity into account the accuracy of the calculations is improved, especially, in the diluted region

  15. Modeling Sustainable Food Systems.

    Science.gov (United States)

    Allen, Thomas; Prosperi, Paolo

    2016-05-01

    The processes underlying environmental, economic, and social unsustainability derive in part from the food system. Building sustainable food systems has become a predominating endeavor aiming to redirect our food systems and policies towards better-adjusted goals and improved societal welfare. Food systems are complex social-ecological systems involving multiple interactions between human and natural components. Policy needs to encourage public perception of humanity and nature as interdependent and interacting. The systemic nature of these interdependencies and interactions calls for systems approaches and integrated assessment tools. Identifying and modeling the intrinsic properties of the food system that will ensure its essential outcomes are maintained or enhanced over time and across generations, will help organizations and governmental institutions to track progress towards sustainability, and set policies that encourage positive transformations. This paper proposes a conceptual model that articulates crucial vulnerability and resilience factors to global environmental and socio-economic changes, postulating specific food and nutrition security issues as priority outcomes of food systems. By acknowledging the systemic nature of sustainability, this approach allows consideration of causal factor dynamics. In a stepwise approach, a logical application is schematized for three Mediterranean countries, namely Spain, France, and Italy.

  16. Modeling and inverse feedforward control for conducting polymer actuators with hysteresis

    International Nuclear Information System (INIS)

    Wang, Xiangjiang; Alici, Gursel; Tan, Xiaobo

    2014-01-01

    Conducting polymer actuators are biocompatible with a small footprint, and operate in air or liquid media under low actuation voltages. This makes them excellent actuators for macro- and micro-manipulation devices, however, their positioning ability or accuracy is adversely affected by their hysteresis non-linearity under open-loop control strategies. In this paper, we establish a hysteresis model for conducting polymer actuators, based on a rate-independent hysteresis model known as the Duhem model. The hysteresis model is experimentally identified and integrated with the linear dynamics of the actuator. This combined model is inverted to control the displacement of the tri-layer actuators considered in this study, without using any external feedback. The inversion requires an inverse hysteresis model which was experimentally identified using an inverse neural network model. Experimental results show that the position tracking errors are reduced by more than 50% when the hysteresis inverse model is incorporated into an inversion-based feedforward controller, indicating the potential of the proposed method in enabling wider use of such smart actuators. (paper)

  17. A computational model for heterogeneous heating during pulsed laser irradiation of polymers doped with light-absorbing microparticles

    DEFF Research Database (Denmark)

    Marla, Deepak; Zhang, Yang; Jabbaribehnam, Mirmasoud

    2016-01-01

    characteristics. This work presents a study based on a computational model of laser heating of polymer doped with light-absorbing microparticles accounting for the heterogeneous nature of heating. The work aims at gaining a fundamental insight into the nature of the heating process and to understand the role......Doping of polymers with light-absorbing microparticles to increase their optical properties is a commonly used pre-treatment technique in laser processing of polymers. The presence of these particles plays an important role during laser heating of the polymer that influences its surface...... of microparticles. The results suggest that apart from the laser intensity and pulse duration, the properties of the microparticles including their size and distribution also play an important role during the laser heating of polymers....

  18. Comparative Investigation on the Performance of Modified System Poles and Traditional System Poles Obtained from PDC Data for Diagnosing the Ageing Condition of Transformer Polymer Insulation Materials

    Directory of Open Access Journals (Sweden)

    Jiefeng Liu

    2018-02-01

    Full Text Available The life expectancy of a transformer is largely depended on the service life of transformer polymer insulation materials. Nowadays, several papers have reported that the traditional system poles obtained from polarization and depolarization current (PDC data can be used to assess the condition of transformer insulation systems. However, the traditional system poles technique only provides limited ageing information for transformer polymer insulation. In this paper, the modified system poles obtained from PDC data are proposed to assess the ageing condition of transformer polymer insulation. The aim of the work is to focus on reporting a comparative investigation on the performance of modified system poles and traditional system poles for assessing the ageing condition of a transformer polymer insulation system. In the present work, a series of experiments have been performed under controlled laboratory conditions. The PDC measurement data, degree of polymerization (DP and moisture content of the oil-immersed polymer pressboard specimens were carefully monitored. It is observed that, compared to the relationships between traditional system poles and DP values, there are better correlations between the modified system poles and DP values, because the modified system poles can obtain much more ageing information on transformer polymer insulation. Therefore, the modified system poles proposed in the paper are more suitable for the diagnosis of the ageing condition of transformer polymer insulation.

  19. COMBINED MICROBIAL SURFACTANT-POLYMER SYSTEM FOR IMPROVED OIL MOBILITY AND CONFORMANCE CONTROL

    Energy Technology Data Exchange (ETDEWEB)

    Jorge Gabitto; Maria Barrufet

    2005-08-01

    Many domestic oil fields are facing abandonment even though they still contain two-thirds of their original oil. A significant number of these fields can yield additional oil using advanced oil recovery (AOR) technologies. To maintain domestic oil production at current levels, AOR technologies are needed that are affordable and can be implemented by the independent oil producers of the future. Microbial enhanced oil recovery (MEOR) technologies have become established as cost-effective solutions for declining oil production. MEOR technologies are affordable for independent producers operating stripper wells and can be used to extend the life of marginal fields. The demonstrated versatility of microorganisms can be used to design advanced microbial systems to treat multiple production problems in complex, heterogeneous reservoirs. The proposed research presents the concept of a combined microbial surfactant-polymer system for advanced oil recovery. The surfactant-polymer system utilizes bacteria that are capable of both biosurfactant production and metabolically-controlled biopolymer production. This novel technology combines complementary mechanisms to extend the life of marginal fields and is applicable to a large number of domestic reservoirs. The research project described in this report was performed by Bio-Engineering Inc., a woman owned small business, Texas A&M University and Prairie View A&M University, a Historically Black College and University. This report describes the results of our laboratory work to grow microbial cultures, the work done on recovery experiments on core rocks, and computer simulations. We have selected two bacterial strains capable of producing both surfactant and polymers. We have conducted laboratory experiments to determine under what conditions surfactants and polymers can be produced from one single strain. We have conduct recovery experiments to determine the performance of these strains under different conditions. Our results

  20. Understanding the drug release mechanism from a montmorillonite matrix and its binary mixture with a hydrophilic polymer using a compartmental modelling approach

    Science.gov (United States)

    Choiri, S.; Ainurofiq, A.

    2018-03-01

    Drug release from a montmorillonite (MMT) matrix is a complex mechanism controlled by swelling mechanism of MMT and an interaction of drug and MMT. The aim of this research was to explain a suitable model of the drug release mechanism from MMT and its binary mixture with a hydrophilic polymer in the controlled release formulation based on a compartmental modelling approach. Theophylline was used as a drug model and incorporated into MMT and a binary mixture with hydroxyl propyl methyl cellulose (HPMC) as a hydrophilic polymer, by a kneading method. The dissolution test was performed and the modelling of drug release was assisted by a WinSAAM software. A 2 model was purposed based on the swelling capability and basal spacing of MMT compartments. The model evaluation was carried out to goodness of fit and statistical parameters and models were validated by a cross-validation technique. The drug release from MMT matrix regulated by a burst release mechanism of unloaded drug, swelling ability, basal spacing of MMT compartment, and equilibrium between basal spacing and swelling compartments. Furthermore, the addition of HPMC in MMT system altered the presence of swelling compartment and equilibrium between swelling and basal spacing compartment systems. In addition, a hydrophilic polymer reduced the burst release mechanism of unloaded drug.

  1. Mechanics of Sister Chromatids studied with a Polymer Model

    Directory of Open Access Journals (Sweden)

    Yang eZhang

    2013-10-01

    Full Text Available Sister chromatid cohesion denotes the phenomenon that sister chromatids are initially attached to each other in mitosis to guarantee the error-free distribution into the daughter cells. Cohesion is mediated by binding proteins and only resolved after mitotic chromosome condensation is completed. However, the amount of attachement points required to maintain sister chromatid cohesion while still allowing proper chromosome condensation is not known yet. Additionally the impact of cohesion on the mechanical properties of chromosomes also poses an interesting problem. In this work we study the conformational and mechanical properties of sister chromatids by means of computer simulations. We model both protein-mediated cohesion between sister chromatids and chromosome condensation with a dynamic binding mechanisms. We show in a phase diagram that only specific link concentrations lead to connected and fully condensed chromatids that do not intermingle with each other nor separate due to entropic forces. Furthermore we show that dynamic bonding between chromatids decrease the Young's modulus compared to non-bonded chromatids.

  2. An all-polymer micropump based on the conductive polymer poly(3,4-ethylenedioxythiophene) and a polyurethane channel system

    DEFF Research Database (Denmark)

    Hansen, Thomas Steen; West, Keld; Hassager, Ole

    2007-01-01

    An all-polymer micropunlp was realized using the conductive polymer poly(3,4-ethylenedioxythiophene) (PEDT) as the active cODlponent. The pUlnping effect originated fronl an ac potential applied to an aSylnlnetric array of interdigitat.ed electrodes. The PEDT electrodes were fabricated using...... of t.he conducting polylner electrodes by an insulating polYlTIer layer prevented electrode break-down at the cost of puolping efficiency. Continuous punlping for 40 nlin at 20 fJ..,m s-l without detectable pump degradation was delTIOnstrated in this configuration....

  3. THE USE OF POLYMERS IN RADIOACTIVE WASTE PROCESSING SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

    Skidmore, E.; Fondeur, F.

    2013-04-15

    The Savannah River Site (SRS), one of the largest U.S. Department of Energy (DOE) sites, has operated since the early 1950s. The early mission of the site was to produce critical nuclear materials for national defense. Many facilities have been constructed at the SRS over the years to process, stabilize and/or store radioactive waste and related materials. The primary materials of construction used in such facilities are inorganic (metals, concrete), but polymeric materials are inevitably used in various applications. The effects of aging, radiation, chemicals, heat and other environmental variables must therefore be understood to maximize service life of polymeric components. In particular, the potential for dose rate effects and synergistic effects on polymeric materials in multivariable environments can complicate compatibility reviews and life predictions. The selection and performance of polymeric materials in radioactive waste processing systems at the SRS are discussed.

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

    International Nuclear Information System (INIS)

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

    2014-01-01

    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. (paper)

  5. Permeation enhancing polymers in oral delivery of hydrophilic macromolecules: thiomer/GSH systems.

    Science.gov (United States)

    Bernkop-Schnürch, A; Kast, C E; Guggi, D

    2003-12-05

    Thiolated polymers (= thiomers) in combination with reduced glutathione (GSH) were shown to improve the uptake of hydrophilic macromolecules from the GI tract. The mechanism responsible for this permeation enhancing effect seems to be based on the thiol groups of the polymer. These groups inhibit protein tyrosine phosphatase, being involved in the closing process of tight junctions, via a GSH-mediated mechanism. The strong permeation enhancing effect of various thiomer/GSH systems such as poly(acrylic acid)-cysteine/GSH or chitosan-4-thio-butylamidine (chitosan-TBA)/GSH could be shown via permeation studies on freshly excised intestinal mucosa in Ussing-type chambers. Furthermore, the efficacy of the system was also shown in vivo. By utilizing poly(acrylic acid)-cysteine/GSH as carrier matrix, an absolute oral bioavailability for low molecular weight heparin of 19.9 +/- 9.3% and a pharmacological efficacy--calculated on the basis of the areas under the reduction in serum glucose levels of the oral formulation versus subcutaneous (s.c.) injection-for orally given insulin of 7% could be achieved. The incorporation of salmon calcitonin in chitosan-TBA/GSH led on the other hand to a pharmacological efficacy based on the areas under the reduction in plasma calcium levels of the oral thiomer formulation versus intravenous (i.v.) injection of 1.3%. Because of this high efficacy (i), the possibility to combine thiomer/GSH systems with additional low molecular weight permeation enhancers acting in other ways (ii) and minimal toxicological risks as these polymers are not absorbed from the GI tract (iii), thiolated polymers represent a promising novel tool for the oral administration of hydrophilic macromolecules.

  6. Modeling Complex Systems

    CERN Document Server

    Boccara, Nino

    2010-01-01

    Modeling Complex Systems, 2nd Edition, explores the process of modeling complex systems, providing examples from such diverse fields as ecology, epidemiology, sociology, seismology, and economics. It illustrates how models of complex systems are built and provides indispensable mathematical tools for studying their dynamics. This vital introductory text is useful for advanced undergraduate students in various scientific disciplines, and serves as an important reference book for graduate students and young researchers. This enhanced second edition includes: . -recent research results and bibliographic references -extra footnotes which provide biographical information on cited scientists who have made significant contributions to the field -new and improved worked-out examples to aid a student’s comprehension of the content -exercises to challenge the reader and complement the material Nino Boccara is also the author of Essentials of Mathematica: With Applications to Mathematics and Physics (Springer, 2007).

  7. Application of activated barrier hopping theory to viscoplastic modeling of glassy polymers

    Science.gov (United States)

    Sweeney, J.; Spencer, P. E.; Vgenopoulos, D.; Babenko, M.; Boutenel, F.; Caton-Rose, P.; Coates, P. D.

    2017-10-01

    An established statistical mechanical theory of amorphous polymer deformation has been incorporated as a plastic mechanism into a constitutive model and applied to a range of polymer mechanical deformations. The temperature and rate dependence of the tensile yield of PVC, as reported in early studies, has been modeled to high levels of accuracy. Tensile experiments on PET reported here are analyzed similarly and good accuracy is also achieved. The frequently observed increase in the gradient of the plot of yield stress against logarithm of strain rate is an inherent feature of the constitutive model. The form of temperature dependence of the yield that is predicted by the model is found to give an accurate representation. The constitutive model is developed in two-dimensional form and implemented as a user-defined subroutine in the finite element package ABAQUS. This analysis is applied to the tensile experiments on PET, in some of which strain is localized in the form of shear bands and necks. These deformations are modeled with partial success, though adiabatic heating of the instability causes inaccuracies for this isothermal implementation of the model. The plastic mechanism has advantages over the Eyring process, is equally tractable, and presents no particular difficulties in implementation with finite elements.

  8. Integration of polystyrene microlenses with both convex and concave profiles in a polymer-based microfluidic system

    KAUST Repository

    Fan, Yiqiang; Li, Huawei; Foulds, Ian G.

    2013-01-01

    This paper reports a new technique of fabricating polystyrene microlenses with both convex and concave profiles that are integrated in polymer-based microfluidic system. The polystyrene microlenses, or microlens array, are fabricated using the free

  9. Modeling and simulation of surfactant-polymer flooding using a new hybrid method

    Science.gov (United States)

    Daripa, Prabir; Dutta, Sourav

    2017-04-01

    Chemical enhanced oil recovery by surfactant-polymer (SP) flooding has been studied in two space dimensions. A new global pressure for incompressible, immiscible, multicomponent two-phase porous media flow has been derived in the context of SP flooding. This has been used to formulate a system of flow equations that incorporates the effect of capillary pressure and also the effect of polymer and surfactant on viscosity, interfacial tension and relative permeabilities of the two phases. The coupled system of equations for pressure, water saturation, polymer concentration and surfactant concentration has been solved using a new hybrid method in which the elliptic global pressure equation is solved using a discontinuous finite element method and the transport equations for water saturation and concentrations of the components are solved by a Modified Method Of Characteristics (MMOC) in the multicomponent setting. Numerical simulations have been performed to validate the method, both qualitatively and quantitatively, and to evaluate the relative performance of the various flooding schemes for several different heterogeneous reservoirs.

  10. Modeling Complex Systems

    International Nuclear Information System (INIS)

    Schreckenberg, M

    2004-01-01

    This book by Nino Boccara presents a compilation of model systems commonly termed as 'complex'. It starts with a definition of the systems under consideration and how to build up a model to describe the complex dynamics. The subsequent chapters are devoted to various categories of mean-field type models (differential and recurrence equations, chaos) and of agent-based models (cellular automata, networks and power-law distributions). Each chapter is supplemented by a number of exercises and their solutions. The table of contents looks a little arbitrary but the author took the most prominent model systems investigated over the years (and up until now there has been no unified theory covering the various aspects of complex dynamics). The model systems are explained by looking at a number of applications in various fields. The book is written as a textbook for interested students as well as serving as a comprehensive reference for experts. It is an ideal source for topics to be presented in a lecture on dynamics of complex systems. This is the first book on this 'wide' topic and I have long awaited such a book (in fact I planned to write it myself but this is much better than I could ever have written it!). Only section 6 on cellular automata is a little too limited to the author's point of view and one would have expected more about the famous Domany-Kinzel model (and more accurate citation!). In my opinion this is one of the best textbooks published during the last decade and even experts can learn a lot from it. Hopefully there will be an actualization after, say, five years since this field is growing so quickly. The price is too high for students but this, unfortunately, is the normal case today. Nevertheless I think it will be a great success! (book review)

  11. Modeling the earth system

    Energy Technology Data Exchange (ETDEWEB)

    Ojima, D. [ed.

    1992-12-31

    The 1990 Global Change Institute (GCI) on Earth System Modeling is the third of a series organized by the Office for Interdisciplinary Earth Studies to look in depth at particular issues critical to developing a better understanding of the earth system. The 1990 GCI on Earth System Modeling was organized around three themes: defining critical gaps in the knowledge of the earth system, developing simplified working models, and validating comprehensive system models. This book is divided into three sections that reflect these themes. Each section begins with a set of background papers offering a brief tutorial on the subject, followed by working group reports developed during the institute. These reports summarize the joint ideas and recommendations of the participants and bring to bear the interdisciplinary perspective that imbued the institute. Since the conclusion of the 1990 Global Change Institute, research programs, nationally and internationally, have moved forward to implement a number of the recommendations made at the institute, and many of the participants have maintained collegial interactions to develop research projects addressing the needs identified during the two weeks in Snowmass.

  12. Micelles from lipid derivatives of water-soluble polymers as delivery systems for poorly soluble drugs.

    Science.gov (United States)

    Lukyanov, Anatoly N; Torchilin, Vladimir P

    2004-05-07

    Polymeric micelles have a whole set of unique characteristics, which make them very promising drug carriers, in particular, for poorly soluble drugs. Our review article focuses on micelles prepared from conjugates of water-soluble polymers, such as polyethylene glycol (PEG) or polyvinyl pyrrolidone (PVP), with phospholipids or long-chain fatty acids. The preparation of micelles from certain polymer-lipid conjugates and the loading of these micelles with various poorly soluble anticancer agents are discussed. The data on the characterization of micellar preparations in terms of their morphology, stability, longevity in circulation, and ability to spontaneously accumulate in experimental tumors via the enhanced permeability and retention (EPR) effect are presented. The review also considers the preparation of targeted immunomicelles with specific antibodies attached to their surface. Available in vivo results on the efficiency of anticancer drugs incorporated into plain micelles and immunomicelles in animal models are also discussed.

  13. Oxygen Compatibility of Brass-Filled PTFE Compared to Commonly Used Fluorinated Polymers for Oxygen Systems

    Science.gov (United States)

    Herald, Stephen D.; Frisby, Paul M.; Davis, Samuel Eddie

    2009-01-01

    Safe and reliable seal materials for high-pressure oxygen systems sometimes appear to be extinct species when sought out by oxygen systems designers. Materials that seal well are easy to find, but these materials are typically incompatible with oxygen, especially in cryogenic liquid form. This incompatibility can result in seals that leak, or much worse, seals that easily ignite and burn during use. Materials that are compatible with oxygen are easy to find, such as the long list of compatible metals, but these metallic materials are limiting as seal materials. A material that seals well and is oxygen compatible has been the big game in the designer's safari. Scientists at the Materials Combustion Research Facility (MCRF), part of NASA/Marshall Space Flight Center (MSFC), are constantly searching for better materials and processes to improve the safety of oxygen systems. One focus of this effort is improving the characteristics of polymers used in the presence of an oxygen enriched environment. Very few systems can be built which contain no polymeric materials; therefore, materials which have good impact resistance, low heat of combustion, high auto-ignition temperature and that maintain good mechanical properties are essential. The scientists and engineers at the Materials Combustion Research Facility, in cooperation with seal suppliers, are currently testing a new formulation of polytetrafluoroethylene (PTFE) with Brass filler. This Brass-filled PTFE is showing great promise as a seal and seat material for high pressure oxygen systems. Early research has demonstrated very encouraging results, which could rank this material as one of the best fluorinated polymers ever tested. This paper will compare the data obtained for Brass-filled PTFE with other fluorinated polymers, such as TFE-Teflon (PTFE) , Kel-F 81, Viton A, Viton A-500, Fluorel , and Algoflon . A similar metal filled fluorinated polymer, Salox-M , was tested in comparison to Brass-filled PTFE to

  14. A Mathematical Model of Repeated Impregnation of Porous Bodies with Solutions of Polymers

    Directory of Open Access Journals (Sweden)

    I. V. Glebov

    2015-01-01

    Full Text Available The paper describes basic methods of impregnating porous bodies with solutions of polymers and their use to manufacture prepregs. It also describes the existing methods of manufacturing multilayer prepregs to produce aerospace coating of the spacecraft "Soyuz". It is shown that these prepregs have to meet high requirements for the content of the polymer, as compared with other composite materials, about 35 - 40% of the mass. Methods used for their manufacturing are long-term and non-controllable. The assumption is made that using the vacuum impregnation technology of a woven material will allow to accelerate the manufacturing process of these prepregs and improve their quality.In reviewing the technical literature have been found works on modeling the processes of impregnation, but they are aimed only at studying the speed of the woven material impregnation by various fluids and determining the time of impregnation. There were no models found to define prepreg parameters during the process of multiple impregnations. The aim of this work is to develop the simple mathematical model, which enables us to predict the polymer content of volatile products in the prepreg after each cycle of multiple impregnation of woven material with a solution of the polymer.To consider the vacuum impregnation method are used the prepregs based on silica and silica-nylon stitch-bonding fabric and bakelite varnish LBS-4 containing 50 - 60% of phenol resin and the solvent with minor impurities of pure phenol and water, as an example. To describe the process of vacuum impregnation of the porous work-piece is developed a mathematical description of the process of filling the porous space of the material with a varnish. It is assumed that the varnish components fill the porous space of the material in the same proportion as they are contained in the varnish.It is shown that a single impregnation cannot ensure the content of phenol resin in the prepreg over 32%, which does

  15. Sustainable design and manufacturing of multifunctional polymer nanocomposite coatings: A multiscale systems approach

    Science.gov (United States)

    Xiao, Jie

    Polymer nanocomposites have a great potential to be a dominant coating material in a wide range of applications in the automotive, aerospace, ship-making, construction, and pharmaceutical industries. However, how to realize design sustainability of this type of nanostructured materials and how to ensure the true optimality of the product quality and process performance in coating manufacturing remain as a mountaintop area. The major challenges arise from the intrinsic multiscale nature of the material-process-product system and the need to manipulate the high levels of complexity and uncertainty in design and manufacturing processes. This research centers on the development of a comprehensive multiscale computational methodology and a computer-aided tool set that can facilitate multifunctional nanocoating design and application from novel function envisioning and idea refinement, to knowledge discovery and design solution derivation, and further to performance testing in industrial applications and life cycle analysis. The principal idea is to achieve exceptional system performance through concurrent characterization and optimization of materials, product and associated manufacturing processes covering a wide range of length and time scales. Multiscale modeling and simulation techniques ranging from microscopic molecular modeling to classical continuum modeling are seamlessly coupled. The tight integration of different methods and theories at individual scales allows the prediction of macroscopic coating performance from the fundamental molecular behavior. Goal-oriented design is also pursued by integrating additional methods for bio-inspired dynamic optimization and computational task management that can be implemented in a hierarchical computing architecture. Furthermore, multiscale systems methodologies are developed to achieve the best possible material application towards sustainable manufacturing. Automotive coating manufacturing, that involves paint spay and

  16. Radiation damage of polymers in ultrasonic fields

    Energy Technology Data Exchange (ETDEWEB)

    Anbalagan, Poornnima

    2008-07-01

    Radiation damage has always been a topic of great interest in various fields of sciences. In this work, an attempt is made to probe into the effect of subthreshold ultrasonic waves on the radiation damage created by irradiation of deuterons in polymer samples wherein the polymer samples act as model systems. Two equal volumes of radiation damage were produced in a single polymer sample wherein a standing wave of ultrasound was introduced into one. Three polymers namely, Polycarbonate, Polymethylmethacrylate and Polyvinyl chloride were used in this work. Four independent techniques were used to analyze the irradiated samples and visualize the radiation damage. Interferometric measurements give a measure of the refractive index modulation in the irradiated sample. Polymers, being transparent, do not absorb in the visible region of the electromagnetic spectrum. UV-Vis absorption spectroscopy shows absorption peaks in the visible region in irradiated polymer samples. Ion irradiation causes coloration of polymers. The light microscope is used to measure the absorption of white light by the irradiated polymers. Positron annihilation spectroscopy is used to obtain a measure of the open volume created by irradiation in polymers. A comparison between the irradiated region and the region exposed to ultrasonic waves simultaneously with irradiation in a polymer sample shows the polymer specific influence of the ultrasonic standing wave. (orig.)

  17. Radiation damage of polymers in ultrasonic fields

    International Nuclear Information System (INIS)

    Anbalagan, Poornnima

    2008-01-01

    Radiation damage has always been a topic of great interest in various fields of sciences. In this work, an attempt is made to probe into the effect of subthreshold ultrasonic waves on the radiation damage created by irradiation of deuterons in polymer samples wherein the polymer samples act as model systems. Two equal volumes of radiation damage were produced in a single polymer sample wherein a standing wave of ultrasound was introduced into one. Three polymers namely, Polycarbonate, Polymethylmethacrylate and Polyvinyl chloride were used in this work. Four independent techniques were used to analyze the irradiated samples and visualize the radiation damage. Interferometric measurements give a measure of the refractive index modulation in the irradiated sample. Polymers, being transparent, do not absorb in the visible region of the electromagnetic spectrum. UV-Vis absorption spectroscopy shows absorption peaks in the visible region in irradiated polymer samples. Ion irradiation causes coloration of polymers. The light microscope is used to measure the absorption of white light by the irradiated polymers. Positron annihilation spectroscopy is used to obtain a measure of the open volume created by irradiation in polymers. A comparison between the irradiated region and the region exposed to ultrasonic waves simultaneously with irradiation in a polymer sample shows the polymer specific influence of the ultrasonic standing wave. (orig.)

  18. Polymer optical fiber with Rhodamine doped cladding for fiber light systems

    Energy Technology Data Exchange (ETDEWEB)

    Narro-García, R., E-mail: roberto.narro@gmail.com [Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Querétaro 76230 (Mexico); Quintero-Torres, R. [Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Querétaro 76230 (Mexico); Domínguez-Juárez, J.L. [Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Querétaro 76230 (Mexico); Cátedras CONACyT, Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Querétaro 76230 (Mexico); Ocampo, M.A. [Centro de Física Aplicada y Tecnología Avanzada, Universidad Nacional Autónoma de México, Boulevard Juriquilla 3001, Querétaro 76230 (Mexico)

    2016-01-15

    Both preform and polymer optical fiber with a Poly(methyl methacrylate) core and THV–Rhodamine 6G cladding were characterized. UV–vis absorbance, photoluminescence spectra and lifetime of the preform were measured. Axial and lateral photoluminescence spectra of the polymer optical fiber were studied under 404 nm excitation in order to study the illumination performance of the fiber. It was observed that the peak wavelength from the fiber photoluminescence spectra is higher than the peak wavelength from the fiber preform and that the peak wavelength from the fiber photoluminescence spectra is red shifted with the fiber length in the case of axial emission. The obtained results suggest the influence of self-absorption on the photoluminescence shape. Strong lateral emission along the fiber was observed with the naked eyes in all the cases. The lateral photoluminescence spectra show that the lateral emission is a combination between the pump laser and the Rh6G molecule photoluminescence. The results suggest that this polymer optical fiber could be a potential candidate for the development of fiber lighting systems. - Highlights: • Axial and lateral emission along the fiber was studied. • Self-absorption effect was confirmed in the case of axial photoluminescence. • The lateral emission is a combination between the laser and the RhG6 emission. • This fiber could be a potential candidate for the development of lighting systems.

  19. Further Improvement and System Integration of High Temperature Polymer Electrolyte Membrane Fuel Cells

    DEFF Research Database (Denmark)

    Li, Qingfeng; Jensen, Jens Oluf

    The new development in the field of polymer electrolyte membrane fuel cell (PEMFC) is high temperature PEMFC for operation above 100°C, which has been successfully demonstrated through the previous EC Joule III and the 5th framework programme. New challenges are encountered, bottlenecks for the new...... technology have been identified, and new concepts and solutions have been provisionally identified. FURIM is directed at tackling these key issues by concentrating on the further materials development, compatible technologies, and system integration of the high temperature PEMFC. The strategic developments...... of the FURIM are in three steps: (1) further improvement of the high temperature polymer membranes and related materials; (2) development of technological units including fuel cell stack, hydrocarbon reformer and afterburner, that are compatible with the HT-PEMFC; and (3) integration of the HT-PEMFC stack...

  20. Experiments with polymer coated microspheres irradiated by the Shiva laser system

    International Nuclear Information System (INIS)

    Auerbach, J.M.; Manes, K.R.; Matthews, D.L.

    1979-01-01

    Polymer coated spherical targets have been irradiated by the Shiva laser system in an effort to compress the contained 10 mg/cc DT fuel to super liquid densities. Glass microspheres of 140 μm ID and 5 μm wall thickness with polymer coatings 15 μm to 100 μm thick have been irradiated with laser pulses of 4 kilojoules in 200 psec FWHM. Target performance was diagnosed with neutron yield measurements, radiochemistry, Argon line imaging, and x-ray imaging techniques. Ball in plate targets achieved greater implosion symmetry than free-standing ball targets. With yields of 10 7 to 10 8 neutrons, targets reached DT fuel compressions of several times liquid density

  1. Combined electromagnetic and photoreaction modeling of CLD-1 photobleaching in polymer microring resonators

    Science.gov (United States)

    Huang, Yanyi; Poon, Joyce K. S.; Liang, Wei; Yariv, Amnon; Zhang, Cheng; Dalton, Larry R.

    2005-08-01

    By combining a solid-state photoreaction model with the modal solutions of an optical waveguide, we simulate the refractive index change due to the photobleaching of CLD-1 chromophores in an amorphous polycarbonate microring resonator. The simulation agrees well with experimental results. The photobleaching quantum efficiency of the CLD-1 chromophores is determined to be 0.65%. The combined modeling of the electromagnetic wave propagation and photoreaction precisely illustrates the spatial and temporal evolution of the optical properties of the polymer material as manifested in the refractive index and their effects on the modal and physical properties of the optical devices.

  2. Modelling and Control of Ionic Electroactive Polymer Actuators under Varying Humidity Conditions

    Directory of Open Access Journals (Sweden)

    S. Sunjai Nakshatharan

    2018-02-01

    Full Text Available In this work, we address the problem of position control of ionic electroactive polymer soft actuators under varying relative humidity conditions. The impact of humidity on the actuation performance of ionic actuators is studied through frequency response and impedance spectroscopy analysis. Considering the uncertain performance of the actuator under varying humidity conditions, an adaptable model using the neural network method is developed. The model uses relative humidity magnitude as one of the model parameters, making it robust to different environmental conditions. Utilizing the model, a closed-loop controller based on the model predictive controller is developed for position control of the actuator. The developed model and controller are experimentally verified and found to be capable of predicting and controlling the actuators with excellent tracking accuracy under relative humidity conditions varying in the range of 10–90%.

  3. System equivalent model mixing

    Science.gov (United States)

    Klaassen, Steven W. B.; van der Seijs, Maarten V.; de Klerk, Dennis

    2018-05-01

    This paper introduces SEMM: a method based on Frequency Based Substructuring (FBS) techniques that enables the construction of hybrid dynamic models. With System Equivalent Model Mixing (SEMM) frequency based models, either of numerical or experimental nature, can be mixed to form a hybrid model. This model follows the dynamic behaviour of a predefined weighted master model. A large variety of applications can be thought of, such as the DoF-space expansion of relatively small experimental models using numerical models, or the blending of different models in the frequency spectrum. SEMM is outlined, both mathematically and conceptually, based on a notation commonly used in FBS. A critical physical interpretation of the theory is provided next, along with a comparison to similar techniques; namely DoF expansion techniques. SEMM's concept is further illustrated by means of a numerical example. It will become apparent that the basic method of SEMM has some shortcomings which warrant a few extensions to the method. One of the main applications is tested in a practical case, performed on a validated benchmark structure; it will emphasize the practicality of the method.

  4. Development status of solid polymer electrolyte water electrolysis for manned spacecraft life support systems

    Science.gov (United States)

    Nuttall, L. J.; Titterington, W. A.

    1974-01-01

    Details of the design and system verification test results are presented for a six-man-rated oxygen generation system. The system configuration incorporates components and instrumentation for computer-controlled operation with automatic start-up/shutdown sequencing, fault detection and isolation, and with self-contained sensors and controls for automatic safe emergency shutdown. All fluid and electrical components, sensors, and electronic controls are designed to be easily maintainable under zero-gravity conditions. On-board component spares are utilized in the system concept to sustain long-term operation (six months minimum) in a manned spacecraft application. The system is centered on a 27-cell solid polymer electrolyte water electrolysis module which, combined with the associated system components and controls, forms a total system envelope 40 in. high, 40 in. wide, and 30 in. deep.

  5. Can deformation of a polymer film with a rigid coating model geophysical processes?

    Science.gov (United States)

    Volynskii, A. L.; Bazhenov, S. L.

    2007-12-01

    The structural and mechanical behavior of polymer films with a thin rigid coating is analyzed. The behavior of such systems under applied stress is accompanied by the formation of a regular wavy surface relief and by regular fragmentation of the coating. The above phenomena are shown to be universal. Both phenomena (stress-induced development of a regular wavy surface relief and regular fragmentation of the coating) are provided by the specific features of mechanical stress transfer from a compliant soft support to a rigid thin coating. The above phenomena are associated with a specific structure of the system, which is referred to as “a rigid coating on a soft substratum” system (RCSS). Surface microrelief in RCSS systems is similar to the ocean floor relief in the vicinity of mid-oceanic ridges. Thus, the complex system composed of a young oceanic crust and upper Earth's mantle may be considered as typically “a solid coating on a soft substratum” system. Specific features of the ocean floor relief are analyzed in terms of the approach advanced for the description of the structural mechanical behavior of polymer films with a rigid coating. This analysis allowed to estimate the strength of an ocean floor.

  6. A General Model of Sensitized Luminescence in Lanthanide-Based Coordination Polymers and Metal-Organic Framework Materials.

    Science.gov (United States)

    Einkauf, Jeffrey D; Clark, Jessica M; Paulive, Alec; Tanner, Garrett P; de Lill, Daniel T

    2017-05-15

    Luminescent lanthanides containing coordination polymers and metal-organic frameworks hold great potential in many applications due to their distinctive spectroscopic properties. While the ability to design coordination polymers for specific functions is often mentioned as a major benefit bestowed on these compounds, the lack of a meaningful understanding of the luminescence in lanthanide coordination polymers remains a significant challenge toward functional design. Currently, the study of these compounds is based on the antenna effect as derived from molecular systems, where organic antennae are used to facilitate lanthanide-centered luminescence. This molecular-based approach does not take into account the unique features of extended network solids, particularly the formation of band structure. While guidelines for the antenna effect are well established, they require modification before being applied to coordination polymers. A series of nine coordination polymers with varying topologies and organic linkers were studied to investigate the accuracy of the antenna effect in coordination polymer systems. By comparing a molecular-based approach to a band-based one, it was determined that the band structure that occurs in aggregated organic solids needs to be considered when evaluating the luminescence of lanthanide coordination polymers.

  7. Novel and Efficient Methods for Calculating Pressure in Polymer Lattice Models

    Science.gov (United States)

    Zhang, Pengfei; Wang, Qiang

    2014-03-01

    Pressure calculation in polymer lattice models is an important but nontrivial subject. The three existing methods - thermodynamic integration, repulsive wall, and sedimentation equilibrium methods - all have their limitations and cannot be used to accurately calculate the pressure at all polymer volume fractions φ. Here we propose two novel methods. In the first method, we combine Monte Carlo simulation in an expanded grand-canonical ensemble with the Wang-Landau - Optimized Ensemble (WL-OE) simulation to calculate the pressure as a function of polymer volume fraction, which is very efficient at low to intermediate φ and exhibits negligible finite-size effects. In the second method, we introduce a repulsive plane with bridging bonds, which is similar to the repulsive wall method but eliminates its confinement effects, and estimate the two-dimensional density of states (in terms of the number of bridging bonds and the contact number) using the 1/ t version of Wang-Landau algorithm. This works well at all φ, especially at high φ where all the methods involving chain insertion trial moves fail.

  8. Emergent horizon, Hawking radiation and chaos in the collapsed polymer model of a black hole

    Energy Technology Data Exchange (ETDEWEB)

    Brustein, Ram [Department of Physics, Ben-Gurion University, Beer-Sheva (Israel); Medved, A.J.M. [Department of Physics and Electronics, Rhodes University, Grahamstown (South Africa); National Institute for Theoretical Physics (NITheP), Western Cape (South Africa)

    2017-02-15

    We have proposed that the interior of a macroscopic Schwarzschild black hole (BH) consists of highly excited, long, closed, interacting strings and, as such, can be modeled as a collapsed polymer. It was previously shown that the scaling relations of the collapsed-polymer model agree with those of the BH. The current paper further substantiates this proposal with an investigation into some of its dynamical consequences. In particular, we show that the model predicts, without relying on gravitational effects, an emergent horizon. We further show that the horizon fluctuates quantum mechanically as it should and that the strength of the fluctuations is inversely proportional to the BH entropy. It is then demonstrated that the emission of Hawking radiation is realized microscopically by the quantum-induced escape of small pieces of string, with the rate of escape and the energy per emitted piece both parametrically matching the Hawking temperature. We also show, using standard methods from statistical mechanics and chaos theory, how our model accounts for some other known properties of BHs. These include the accepted results for the scrambling time and the viscosity-to-entropy ratio, which in our model apply not only at the horizon but throughout the BH interior. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. An affine microsphere approach to modeling strain-induced crystallization in rubbery polymers

    Science.gov (United States)

    Nateghi, A.; Dal, H.; Keip, M.-A.; Miehe, C.

    2018-01-01

    Upon stretching a natural rubber sample, polymer chains orient themselves in the direction of the applied load and form crystalline regions. When the sample is retracted, the original amorphous state of the network is restored. Due to crystallization, properties of rubber change considerably. The reinforcing effect of the crystallites stiffens the rubber and increases the crack growth resistance. It is of great importance to understand the mechanism leading to strain-induced crystallization. However, limited theoretical work has been done on the investigation of the associated kinetics. A key characteristic observed in the stress-strain diagram of crystallizing rubber is the hysteresis, which is entirely attributed to strain-induced crystallization. In this work, we propose a micromechanically motivated material model for strain-induced crystallization in rubbers. Our point of departure is constructing a micromechanical model for a single crystallizing polymer chain. Subsequently, a thermodynamically consistent evolution law describing the kinetics of crystallization on the chain level is proposed. This chain model is then incorporated into the affine microsphere model. Finally, the model is numerically implemented and its performance is compared to experimental data.

  10. Emergent horizon, Hawking radiation and chaos in the collapsed polymer model of a black hole

    International Nuclear Information System (INIS)

    Brustein, Ram; Medved, A.J.M.

    2017-01-01

    We have proposed that the interior of a macroscopic Schwarzschild black hole (BH) consists of highly excited, long, closed, interacting strings and, as such, can be modeled as a collapsed polymer. It was previously shown that the scaling relations of the collapsed-polymer model agree with those of the BH. The current paper further substantiates this proposal with an investigation into some of its dynamical consequences. In particular, we show that the model predicts, without relying on gravitational effects, an emergent horizon. We further show that the horizon fluctuates quantum mechanically as it should and that the strength of the fluctuations is inversely proportional to the BH entropy. It is then demonstrated that the emission of Hawking radiation is realized microscopically by the quantum-induced escape of small pieces of string, with the rate of escape and the energy per emitted piece both parametrically matching the Hawking temperature. We also show, using standard methods from statistical mechanics and chaos theory, how our model accounts for some other known properties of BHs. These include the accepted results for the scrambling time and the viscosity-to-entropy ratio, which in our model apply not only at the horizon but throughout the BH interior. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Deformation analysis of polymers composites: rheological model involving time-based fractional derivative

    DEFF Research Database (Denmark)

    Zhou, H. W.; Yi, H. Y.; Mishnaevsky, Leon

    2017-01-01

    A modeling approach to time-dependent property of Glass Fiber Reinforced Polymers (GFRP) composites is of special interest for quantitative description of long-term behavior. An electronic creep machine is employed to investigate the time-dependent deformation of four specimens of dog-bond-shaped......A modeling approach to time-dependent property of Glass Fiber Reinforced Polymers (GFRP) composites is of special interest for quantitative description of long-term behavior. An electronic creep machine is employed to investigate the time-dependent deformation of four specimens of dog......-bond-shaped GFRP composites at various stress level. A negative exponent function based on structural changes is introduced to describe the damage evolution of material properties in the process of creep test. Accordingly, a new creep constitutive equation, referred to fractional derivative Maxwell model...... by the fractional derivative Maxwell model proposed in the paper are in a good agreement with the experimental data. It is shown that the new creep constitutive model proposed in the paper needs few parameters to represent various time-dependent behaviors....

  12. Damping mathematical modelling and dynamic responses for FRP laminated composite plates with polymer matrix

    Directory of Open Access Journals (Sweden)

    Liu Qimao

    2018-02-01

    Full Text Available This paper proposes an assumption that the fibre is elastic material and polymer matrix is viscoelastic material so that the energy dissipation depends only on the polymer matrix in dynamic response process. The damping force vectors in frequency and time domains, of FRP (Fibre-Reinforced Polymer matrix laminated composite plates, are derived based on this assumption. The governing equations of FRP laminated composite plates are formulated in both frequency and time domains. The direct inversion method and direct time integration method for nonviscously damped systems are employed to solve the governing equations and achieve the dynamic responses in frequency and time domains, respectively. The computational procedure is given in detail. Finally, dynamic responses (frequency responses with nonzero and zero initial conditions, free vibration, forced vibrations with nonzero and zero initial conditions of a FRP laminated composite plate are computed using the proposed methodology. The proposed methodology in this paper is easy to be inserted into the commercial finite element analysis software. The proposed assumption, based on the theory of material mechanics, needs to be further proved by experiment technique in the future.

  13. Damping mathematical modelling and dynamic responses for FRP laminated composite plates with polymer matrix

    Science.gov (United States)

    Liu, Qimao

    2018-02-01

    This paper proposes an assumption that the fibre is elastic material and polymer matrix is viscoelastic material so that the energy dissipation depends only on the polymer matrix in dynamic response process. The damping force vectors in frequency and time domains, of FRP (Fibre-Reinforced Polymer matrix) laminated composite plates, are derived based on this assumption. The governing equations of FRP laminated composite plates are formulated in both frequency and time domains. The direct inversion method and direct time integration method for nonviscously damped systems are employed to solve the governing equations and achieve the dynamic responses in frequency and time domains, respectively. The computational procedure is given in detail. Finally, dynamic responses (frequency responses with nonzero and zero initial conditions, free vibration, forced vibrations with nonzero and zero initial conditions) of a FRP laminated composite plate are computed using the proposed methodology. The proposed methodology in this paper is easy to be inserted into the commercial finite element analysis software. The proposed assumption, based on the theory of material mechanics, needs to be further proved by experiment technique in the future.

  14. Design and fabrication of polymer based dry adhesives inspired by the gecko adhesive system

    Science.gov (United States)

    Jin, Kejia

    There has been significant interest in developing dry adhesives mimicking the gecko adhesive system, which offers several advantages compared to conventional pressure sensitive adhesives. Specifically, gecko adhesive pads have anisotropic adhesion properties: the adhesive pads (spatulae) stick strongly when sheared in one direction but are non-adherent when sheared in the opposite direction. This anisotropy property is attributed to the complex topography of the array of fine tilted and curved columnar structures (setae) that bear the spatulae. In this thesis, easy, scalable methods, relying on conventional and unconventional techniques are presented to incorporate tilt in the fabrication of synthetic polymer-based dry adhesives mimicking the gecko adhesive system, which provide anisotropic adhesion properties. In the first part of the study, the anisotropic adhesion and friction properties of samples with various tilt angles to test the validity of a nanoscale tape-peeling model of spatular function are measured. Consistent with the Peel Zone model, samples with lower tilt angles yielded larger adhesion forces. Contact mechanics of the synthetic array were highly anisotropic, consistent with the frictional adhesion model and gecko-like. Based on the original design, a new design of gecko-like dry adhesives was developed which showed superior tribological properties and furthermore showed anisotropic adhesive properties without the need for tilt in the structures. These adhesives can be used to reversibly suspend weights from vertical surfaces (e.g., walls) and, for the first time to our knowledge, horizontal surfaces (e.g., ceilings) by simultaneously and judiciously activating anisotropic friction and adhesion forces. Furthermore, adhesion properties between artificial gecko-inspired dry adhesives and rough substrates with varying roughness are studied. The results suggest that both adhesion and friction forces on a rough substrate depends significantly on the

  15. On the relationship between two popular lattice models for polymer melts

    Science.gov (United States)

    Subramanian, Gopinath; Shanbhag, Sachin

    2008-10-01

    A mapping between two well known lattice bond-fluctuation models for polymers [I. Carmesin and K. Kremer, Macromolecules 21, 2819 (1988); J. S. Shaffer, J. Chem. Phys. 101, 4205 (1994)] is investigated by performing primitive path analysis to identify the average number of monomers per entanglement. Simulations conducted using both models, and previously published data are compared in an attempt to establish relationships between molecular weight, lengthscale, and timescale. Using these relationships, an examination of the self-diffusion coefficient yields excellent agreement not only between the two models, but also with experimental data on polystyrene, polybutadiene, and polydimethylsiloxane. However, it is shown that even with the limited set of criteria examined in this paper, a true mapping between these two models is elusive. Nevertheless, a practical guide to convert between models is provided.

  16. Swelling of polymer networks with topological constraints: Application of the Helmis-Heinrich-Straube model

    Directory of Open Access Journals (Sweden)

    B. Basterra-Beroiz

    2018-08-01

    Full Text Available For the first time since its formulation in 1986, the theoretical approach proposed by Helmis, Heinrich and Straube (HHS model, which considers the contribution of topological restrictions from entanglements to the swelling of polymer networks, is applied to experimental data. The main aspects and key equations are reviewed and their application is illustrated for unfilled rubber compounds. The HHS model is based on real networks and gives new perspectives to the interpretation of experimental swelling data for which the entanglement contributions are usually neglected by considering phantom network models. This investigation applies a reliable constrained-chain approach through a deformation-dependent tube model for defining the elastic contribution of swollen networks, which is one of the main limitations on the applicability of classical (affine Flory-Rehner and (non-affine phantom models. This short communication intends to provide a baseline for the application and validation of this modern approach for a broader class of rubber materials.

  17. Passive tumor targeting of polymer therapeutics: in vivo imaging of both the polymer carrier and the enzymatically cleavable drug model

    Czech Academy of Sciences Publication Activity Database

    Pola, Robert; Heinrich, A. K.; Mueller, T.; Kostka, Libor; Mäder, K.; Pechar, Michal; Etrych, Tomáš

    2016-01-01

    Roč. 16, č. 11 (2016), s. 1577-1582 ISSN 1616-5187 R&D Projects: GA ČR(CZ) GA15-02986S; GA ČR(CZ) GA16-17207S; GA MŠk(CZ) LO1507 Institutional support: RVO:61389013 Keywords : polymer drug carriers * tumor targeting * enzymatic release Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.238, year: 2016

  18. Characterizing and modeling the pressure- and rate-dependent elastic-plastic-damage behaviors of polypropylene-based polymers

    KAUST Repository

    Pulungan, Ditho Ardiansyah

    2018-02-24

    Polymers in general exhibit pressure- and rate-dependent behavior. Modeling such behavior requires extensive, costly and time-consuming experimental work. Common simplifications may lead to severe inaccuracy when using the model for predicting the failure of structures. Here, we propose a viscoelastic viscoplastic damage model for polypropylene-based polymers. Such a set of constitutive equations can be used to describe the response of polypropylene under various strain-rates and stress-triaxiality conditions. Our model can also be applied to a broad range of thermoplastic polymers. We detail the experimental campaign that is needed to identify every parameter of the model at best. We validated the proposed model by performing 3-point bending tests at different loading speeds, where the load-displacement response of polypropylene beam up to failure was accurately predicted.

  19. Synthesis and characterization of biocompatible multicomponent polymer systems as supports for cell cultures

    International Nuclear Information System (INIS)

    Porjazoska, Aleksandra; Cvetkovska, Maja; Yylmaz, Oksan Karal; Baysal, Kemal; Apohan, Nilhan Kayaman; Baysal, Bahattin M.

    2004-01-01

    Engineering living tissue for reconstructive surgery requires an appropriate cell source and optimal culture conditions, but also a suitable biodegradable scaffold as the basic elements. On the basis of the well known facts that scaffold chemistry and architecture can influence the fate and function of engrafted cells, a large number of polymers, as cell cultures supports, have been proposed. In this study, we report a synthesis, characterization and cell interactions with the following polymer systems: I. Poly[L- lactic acid / glycolic acid / poly(dimethylsiloxane)], copolymers; II. Poly(DL - lactic acid) / triblock PCL - PDMS - PCL copolymers; III. Blends of poly(DL - lactic - co - glycolic acid) and triblock PCL - PDMS - PCL copolymers. For the cell seeding experiments, Swiss 3T3 and/or L929 mouse fibroblasts were grown in RPMI 1640 and/or DMEM / F12 medium, and placed onto the bio polymer non porous or porous films, prepared using a particulate leaching technique. The amount of cells present on the surfaces of the scaffolds was quantified using a neutral red uptake assay. (Author)

  20. Mechanical Systems, Classical Models

    CERN Document Server

    Teodorescu, Petre P

    2009-01-01

    This third volume completes the Work Mechanical Systems, Classical Models. The first two volumes dealt with particle dynamics and with discrete and continuous mechanical systems. The present volume studies analytical mechanics. Topics like Lagrangian and Hamiltonian mechanics, the Hamilton-Jacobi method, and a study of systems with separate variables are thoroughly discussed. Also included are variational principles and canonical transformations, integral invariants and exterior differential calculus, and particular attention is given to non-holonomic mechanical systems. The author explains in detail all important aspects of the science of mechanics, regarded as a natural science, and shows how they are useful in understanding important natural phenomena and solving problems of interest in applied and engineering sciences. Professor Teodorescu has spent more than fifty years as a Professor of Mechanics at the University of Bucharest and this book relies on the extensive literature on the subject as well as th...

  1. Lowest of AC-DC power output for electrostrictive polymers energy harvesting systems

    Science.gov (United States)

    Meddad, Mounir; Eddiai, Adil; Hajjaji, Abdelowahed; Guyomar, Daniel; Belkhiat, Saad; Boughaleb, Yahia; Chérif, Aida

    2013-11-01

    Advances in technology led to the development of electronic circuits and sensors with extremely low electricity consumption. At the same time, structural health monitoring, technology and intelligent integrated systems created a need for wireless sensors in hard to reach places in aerospace vehicles and large civil engineering structures. Powering sensors with energy harvesters eliminates the need to replace batteries on a regular basis. Scientists have been forced to search for new power source that are able to harvested energy from their surrounding environment (sunlight, temperature gradients etc.). Electrostrictive polymer belonging to the family of electro-active polymers, offer unique properties for the electromechanical transducer technology has been of particular interest over the last few years in order to replace conventional techniques such as those based on piezoelectric or electromagnetic, these materials are highly attractive for their low-density, with large strain capability that can be as high as two orders of magnitude greater than the striction-limited, rigid and fragile electroactive ceramics. Electrostrictive polymers sensors respond to vibration with an ac output signal, one of the most important objectives of the electronic interface is to realize the required AC-DC conversion. The goal of this paper is to design an active, high efficiency power doubler converter for electrostrictive polymers exclusively uses a fraction of the harvested energy to supply its active devices. The simulation results show that it is possible to obtain a maximum efficiency of the AC-DC converter equal to 80%. Premiliminary experimental measurements were performed and the results obtained are in good agreement with simulations.

  2. From polymers to quantum gravity: Triple-scaling in rectangular random matrix models

    International Nuclear Information System (INIS)

    Myers, R.C.; Periwal, V.

    1993-01-01

    Rectangular NxM matrix models can be solved in several qualitatively distinct large-N limits, since two independent parameters govern the size of the matrix. Regarded as models of random surfaces, these matrix models interpolate between branched polymer behaviour and two-dimensional quantum gravity. We solve such models in a 'triple-scaling' regime in this paper, with N and M becoming large independently. A correspondence between phase transitions and singularities of mappings from R 2 to R 2 is indicated. At different critical points, the scaling behaviour is determined by (i) two decoupled ordinary differential equations; (ii) an ordinary differential equation and a finite-difference equation; or (iii) two coupled partial differential equations. The Painleve II equation arises (in conjunction with a difference equation) at a point associated with branched polymers. For critical points described by partial differential equations, there are dual weak-coupling/strong-coupling expansions. It is conjectured that the new physics is related to microscopic topology fluctuations. (orig.)

  3. Improved model of activation energy absorption for different electrical breakdowns in semi-crystalline insulating polymers

    Science.gov (United States)

    Sima, Wenxia; Jiang, Xiongwei; Peng, Qingjun; Sun, Potao

    2018-05-01

    Electrical breakdown is an important physical phenomenon in electrical equipment and electronic devices. Many related models and theories of electrical breakdown have been proposed. However, a widely recognized understanding on the following phenomenon is still lacking: impulse breakdown strength which varies with waveform parameters, decrease in the breakdown strength of AC voltage with increasing frequency, and higher impulse breakdown strength than that of AC. In this work, an improved model of activation energy absorption for different electrical breakdowns in semi-crystalline insulating polymers is proposed based on the Harmonic oscillator model. Simulation and experimental results show that, the energy of trapped charges obtained from AC stress is higher than that of impulse voltage, and the absorbed activation energy increases with the increase in the electric field frequency. Meanwhile, the frequency-dependent relative dielectric constant ε r and dielectric loss tanδ also affect the absorption of activation energy. The absorbed activation energy and modified trap level synergistically determine the breakdown strength. The mechanism analysis of breakdown strength under various voltage waveforms is consistent with the experimental results. Therefore, the proposed model of activation energy absorption in the present work may provide a new possible method for analyzing and explaining the breakdown phenomenon in semi-crystalline insulating polymers.

  4. Automated sorting of polymer flakes: fluorescence labeling and development of a measurement system prototype.

    Science.gov (United States)

    Brunner, S; Fomin, P; Kargel, Ch

    2015-04-01

    The extensive demand and use of plastics in modern life is associated with a significant economical impact and a serious ecological footprint. The production of plastics involves a high energy consumption and CO2 emission as well as the large need for (limited) fossil resources. Due to the high durability of plastics, large amounts of plastic garbage is mounting in overflowing landfills (plus 9.6 million tons in Europe in the year 2012) and plastic debris is floating in the world oceans or waste-to-energy combustion releases even more CO2 plus toxic substances (dioxins, heavy metals) to the atmosphere. The recycling of plastic products after their life cycle can obviously contribute a great deal to the reduction of the environmental and economical impacts. In order to produce high-quality recycling products, mono-fractional compositions of waste polymers are required. However, existing measurement technologies such as near infrared spectroscopy show limitations in the sorting of complex mixtures and different grades of polymers, especially when black plastics are involved. More recently invented technologies based on mid-infrared, Raman spectroscopy or laser-aided spectroscopy are still under development and expected to be rather expensive. A promising approach to put high sorting purities into practice is to label plastic resins with unique combinations of fluorescence markers (tracers). These are incorporated into virgin resins during the manufacturing process at the ppm (or sub ppm) concentration level, just large enough that the fluorescence emissions can be detected with sensitive instrumentation but neither affect the visual appearance nor the mechanical properties of the polymers. In this paper we present the prototype of a measurement and classification system that identifies polymer flakes (mill material of a few millimeters size) located on a conveyor belt in real time based on the emitted fluorescence of incorporated markers. Classification performance

  5. Modeling dental radiographic systems

    International Nuclear Information System (INIS)

    Webber, R.L.

    1980-01-01

    The Bureau of Radiological Health has been actively collaborating with the Clinical Investigations Branch, NIDR, in applied research involving diagnostic use of ionizing radiation in dentistry. This work has centered on the search for alternatives to conventional radiographic systems in an attempt to improve diagnostic performance while reducing the required exposure. The basic approach involves analysis of factors limiting performance of properly defined diagnostic tasks and the modeling alternative systems with an eye toward increasing objective measures of performance. Previous collaborative work involved using a nonlinear model to compare various x-ray spectra. The data were expressed as brightness-contrast versus exposure for simulated tasks of clinical interest. This report supplements these findings by extending the number of parameters under investigation and modifying the mode of data display so that an actual radiographic image can be simulated on a television screen

  6. Modelling multiphase flow inside the porous media of a polymer electrolyte membrane fuel cell

    DEFF Research Database (Denmark)

    Berning, Torsten; Kær, Søren Knudsen

    2011-01-01

    Transport processes inside polymer electrolyte membrane fuel cells (PEMFC’s) are highly complex and involve convective and diffusive multiphase, multispecies flow through porous media along with heat and mass transfer and electrochemical reactions in conjunction with water transport through...... an electrolyte membrane. We will present a computational model of a PEMFC with focus on capillary transport of water through the porous layers and phase change and discuss the impact of the liquid phase boundary condition between the porous gas diffusion layer and the flow channels, where water droplets can...

  7. Molecular weight (hydrodynamic volume) dictates the systemic pharmacokinetics and tumour disposition of PolyPEG star polymers.

    Science.gov (United States)

    Khor, Song Yang; Hu, Jinming; McLeod, Victoria M; Quinn, John F; Williamson, Mark; Porter, Christopher J H; Whittaker, Michael R; Kaminskas, Lisa M; Davis, Thomas P

    2015-11-01

    Herein we report for the first time the biological fate of poly[(oligoethylene glycol) acrylate] (POEGA) star polymers synthesised via a versatile arm-first reversible addition-fragmentation chain transfer (RAFT) polymerisation approach. The biopharmaceutical behaviour of three different molecular weight (49, 64 and 94kDa) POEGA stars was evaluated in rats and nude mice bearing human MDA MB-231 tumours after intravenous administration. The 94kDa star polymer exhibited a longer plasma exposure time than the 49kDa or 64kDa star polymer; an observation attributable to differences in the rates of both polymer biodegradation and urinary excretion. Tumour biodistribution also correlated with molecular weight and was greatest for the longest circulating 94kDa star. Different patterns of liver and spleen biodistribution were observed between mice and rats for the different sized polymers. The polymers were also well-tolerated in vivo and in vitro at therapeutic concentrations. Advances in nanotechnology has enabled scientists to produce nanoparticle as drug carriers in cancer therapeutics. In this article, the authors studied the biological fate of poly[(oligoethylene glycol) acrylate] (POEGA) star polymers of different size, after intravenous injections. This would allow the subsequent comparison to other drug delivery systems for better drug delivery. Copyright © 2015 Elsevier Inc. All rights reserved.

  8. A Generic Model for Prediction of Separation Performance of Olefin/Paraffin Mixture by Glassy Polymer Membranes

    Directory of Open Access Journals (Sweden)

    A.A. Ghoreyshi

    2008-02-01

    Full Text Available The separation of olefin/paraffin mixtures is an important process in petrochemical industries, which is traditionally performed by low temperature distillation with a high-energy consumption, or complex extractive distillationand adsorption techniques. Membrane separation process is emerging as an alternative for traditional separation processes with respect to low energy and simple operation. Investigations made by various researchers on polymeric membranes it is found that special glassy polymers render them as suitable materials for olefin/paraffin mixture separation. In this regard, having some knowledge on the possible transport mechanism of these processes would play a significant role in their design and applications. In this study, separation behavior of olefin/paraffin mixtures through glassy polymers was modeled by three different approaches: the so-called dual transport model, the basic adsorption-diffusion theory and the general Maxwell-Stefan formulation. The systems chosen to validate the developed transport models are separation of ethane-ethylene mixture by 6FDA-6FpDA polyimide membrane and propane-propylene mixture by 6FDA-TrMPD polyimide membrane for which the individual sorption and permeation data are available in the literature. Acritical examination of dual transport model shows that this model fails clearly to predict even the proper trend for selectivities. The adjustment of pemeabilities by accounting for the contribution of non-selective bulk flow in the transport model introduced no improvement in the predictability of the model. The modeling results based on the basic adsorption-diffusion theory revealed that in this approach only using mixed permeability data, an acceptable result is attainable which fades out the advantages of predictibility of multicomponent separation performance from pure component data. Finally, the results obtained from the model developed based on Maxwell-Stefan formulation approach show a

  9. The effect of phase morphology on the nature of long-lived charges in semiconductor polymer:fullerene systems

    KAUST Repository

    Dou, Fei; Domingo, Ester; Sakowicz, Maciej; Rezasoltani, Elham; McCarthy-Ward, Thomas; Heeney, Martin; Zhang, Xinping; Stingelin, Natalie; Silva, Carlos

    2015-01-01

    In this work, we investigate the effect of phase morphology on the nature of charges in poly(2,5-bis(3-tetradecyl-thiophen-2-yl)thieno[3,2,-b]thiophene) (pBTTT-C16) and phenyl-C61-butyric acid methyl ester (PC61BM) blends over timescales greater than hundreds of microseconds by quasi-steady-state photoinduced absorption spectroscopy. Specifically, we compare an essentially fully intermixed, one-phase system based on a 1 : 1 (by weight) pBTTT-C16 : PC61BM blend, known to form a co-crystal structure, with a two-phase morphology composed of relatively material-pure domains of the neat polymer and neat fullerene. The co-crystal occurs at a composition of up to 50 wt% PC61BM, because pBTTT-C16 is capable of hosting fullerene derivatives such as PC61BM in the cavities between its side chains. In contrast, the predominantly two-phase system can be obtained by manipulating a 1 : 1 polymer : fullerene blend with the assistance of a fatty acid methyl ester (dodecanoic acid methyl ester, Me12) as additive, which hinders co-crystal formation. We find that triplet excitons and polarons are generated in both phase morphologies. However, polarons are generated in the predominantly two-phase system at higher photon energy than for the structure based on the co-crystal phase. By means of a quasi-steady-state solution of a mesoscopic rate model, we demonstrate that the steady-state polaron generation efficiency and recombination rates are higher in the finely intermixed, one-phase system compared to the predominantly phase-pure, two-phase morphology. We suggest that the polarons generated in highly intermixed structures, such as the co-crystal investigated here, are localised polarons while those generated in the phase-separated polymer and fullerene systems are delocalised polarons. We expect this picture to apply generally to other organic-based heterojunctions of complex phase morphologies including donor:acceptor systems that form, for instance, molecularly mixed amorphous solid

  10. Studies on a Foam System of Ultralow Interfacial Tension Applied in Daqing Oilfield after Polymer Flooding

    Directory of Open Access Journals (Sweden)

    Hong-sheng Liu

    2013-01-01

    Full Text Available In order to study the effects of oil displacement by a foam system of ultralow interfacial tension, the interfacial activities and foam properties of a nonionic gemini surfactant (DWS were investigated under Daqing Oilfield reservoir conditions. Injection methods and alternate cycle of the foam system were discussed here on the basis of results from core flow experiments. It was obtained that the surface tension of DWS was approximately 25 mN/m, and ultralow interfacial tension was reached between oil and DWS with a surfactant concentration between 0.05wt% and 0.4wt%. The binary system showed splendid foam performances, and the preferential surfactant concentration was 0.3wt% with a polymer concentration of 0.2wt%. When gas and liquid were injected simultaneously, flow control capability of the foam reached its peak at the gas-liquid ratio of 3 : 1. Enhanced oil recovery factor of the binary foam system exceeded 10% in a parallel natural cores displacement after polymer flooding.

  11. Gamma irradiated micro system for long-term parenteral contraception: An alternative to synthetic polymers.

    Science.gov (United States)

    Puthli, S; Vavia, P

    2008-11-15

    An injectable system of levonorgestrel (LNG) was developed using biodegradable polymer of natural origin. The parenteral system was optimized for particle size and higher drug loading. The microparticulate system was characterised by scanning electron microscopy, encapsulation efficiency, moisture content, IR, DSC, XRD, residual solvent content, sterility testing, test of abnormal toxicity and test for pyrogens. The microparticles were sterilised by gamma irradiation (2.5Mrad). The system was injected intramuscularly in rabbits and the blood levels of LNG were determined using radioimmunoassay technique. An optimized drug to polymer ratio of 0.3-1.0 (w/w ratio) gave improved drug loading of about 52%. In vivo studies in rabbits showed that the drug was released in a sustained manner for a period of 1 month. The AUC(0-t) was found to be 9363.6+/-2340pg/mLday(-1) with MRT calculated to be about 16 days and Kel of 0.01day(-1). LNG levels were maintained between 200 and 400pg/mL. In vivo release exhibited an initial burst effect which was not observed in the in vitro dissolution. This promising "Progestin-only" long-term contraceptive with improved user compliance is an alternative to the synthetic expensive polymeric carriers.

  12. Enhanced Deformation of Azobenzene-Modified Liquid Crystal Polymers under Dual Wavelength Exposure: A Photophysical Model

    Science.gov (United States)

    Liu, Ling; Onck, Patrick R.

    2017-08-01

    Azobenzene-embedded liquid crystal polymers can undergo mechanical deformation in response to ultraviolet (UV) light. The natural rodlike trans state azobenzene absorbs UV light and isomerizes to a bentlike cis state, which disturbs the order of the polymer network, leading to an anisotropic deformation. The current consensus is that the magnitude of the photoinduced deformation is related to the statistical building up of molecules in the cis state. However, a recent experimental study [Liu and Broer, Nat. Commun. 6 8334 (2015)., 10.1038/ncomms9334] shows that a drastic (fourfold) increase of the photoinduced deformation can be generated by exposing the samples simultaneously to 365 nm (UV) and 455 nm (visible) light. To elucidate the physical mechanism that drives this increase, we develop a two-light attenuation model and an optomechanical constitutive relation that not only accounts for the statistical accumulation of cis azobenzenes, but also for the dynamic trans-cis-trans oscillatory isomerization process. Our experimentally calibrated model predicts that the optimal single-wavelength exposure is 395 nm light, a pronounced shift towards the visible spectrum. In addition, we identify a range of optimal combinations of two-wavelength lights that generate a favorable response for a given amount of injected energy. Our model provides mechanistic insight into the different (multi)wavelength exposures used in experiments and, at the same time, opens new avenues towards enhanced, multiwavelength optomechanical behavior.

  13. Mechanical response and buckling of a polymer simulation model of the cell nucleus

    Science.gov (United States)

    Banigan, Edward; Stephens, Andrew; Marko, John

    The cell nucleus must robustly resist extra- and intracellular forces to maintain genome architecture. Micromanipulation experiments measuring nuclear mechanical response reveal that the nucleus has two force response regimes: a linear short-extension response due to the chromatin interior and a stiffer long-extension response from lamin A, comprising the intermediate filament protein shell. To explain these results, we developed a quantitative simulation model with realistic parameters for chromatin and the lamina. Our model predicts that crosslinking between chromatin and the lamina is essential for responding to small strains and that changes to the interior topological organization can alter the mechanical response of the whole nucleus. Thus, chromatin polymer elasticity, not osmotic pressure, is the dominant regulator of this force response. Our model reveals a novel buckling transition for polymer shells: as force increases, the shell buckles transverse to the applied force. This transition, which arises from topological constrains in the lamina, can be mitigated by tuning the properties of the chromatin interior. Thus, we find that the genome is a resistive mechanical element that can be tuned by its organization and connectivity to the lamina.

  14. Optimal Substrate Preheating Model for Thermal Spray Deposition of Thermosets onto Polymer Matrix Composites

    Science.gov (United States)

    Ivosevic, M.; Knight, R.; Kalidindi, S. R.; Palmese, G. R.; Tsurikov, A.; Sutter, J. K.

    2003-01-01

    High velocity oxy-fuel (HVOF) sprayed, functionally graded polyimide/WC-Co composite coatings on polymer matrix composites (PMC's) are being investigated for applications in turbine engine technologies. This requires that the polyimide, used as the matrix material, be fully crosslinked during deposition in order to maximize its engineering properties. The rapid heating and cooling nature of the HVOF spray process and the high heat flux through the coating into the substrate typically do not allow sufficient time at temperature for curing of the thermoset. It was hypothesized that external substrate preheating might enhance the deposition behavior and curing reaction during the thermal spraying of polyimide thermosets. A simple analytical process model for the deposition of thermosetting polyimide onto polymer matrix composites by HVOF thermal spray technology has been developed. The model incorporates various heat transfer mechanisms and enables surface temperature profiles of the coating to be simulated, primarily as a function of substrate preheating temperature. Four cases were modeled: (i) no substrate preheating; (ii) substrates electrically preheated from the rear; (iii) substrates preheated by hot air from the front face; and (iv) substrates electrically preheated from the rear and by hot air from the front.

  15. Modeling Novo Nordisk Production Systems

    DEFF Research Database (Denmark)

    Miller, Thomas Dedenroth

    1997-01-01

    This report describes attributes of models and systems, and how models can be used for description of production systems. There are special attention on the 'Theory of Domains'.......This report describes attributes of models and systems, and how models can be used for description of production systems. There are special attention on the 'Theory of Domains'....

  16. Entangled Polymer Melts in Extensional Flow

    DEFF Research Database (Denmark)

    Hengeller, Ludovica

    Many commercial materials derived from synthetic polymers exhibit a complex response under different processing operations such as fiber formation, injection moulding,film blowing, film casting or coatings. They can be processed both in the solid or in the melted state. Often they may contain two...... or more different polymers in addition to additives, fillers or solvents in order to modify the properties of the final product. Usually, it is also desired to improve the processability. For example the supplement of a high molecular weight component improves the stability in elongational flows....... Understanding the behaviour of polymer melts and solutions in complex non-linearflows is crucial for the design of polymeric materials and polymer processes. Through rheological characterization, in shear and extensional flow, of model polymer systems,i.e. narrow molar mass distribution polymer melts...

  17. Enhanced magnetoelectric coupling in a composite multiferroic system via interposing a thin film polymer

    Science.gov (United States)

    Xiao, Zhuyun; Mohanchandra, Kotekar P.; Lo Conte, Roberto; Ty Karaba, C.; Schneider, J. D.; Chavez, Andres; Tiwari, Sidhant; Sohn, Hyunmin; Nowakowski, Mark E.; Scholl, Andreas; Tolbert, Sarah H.; Bokor, Jeffrey; Carman, Gregory P.; Candler, Rob N.

    2018-05-01

    Enhancing the magnetoelectric coupling in a strain-mediated multiferroic composite structure plays a vital role in controlling magnetism by electric fields. An enhancement of magnetoelastic coupling between ferroelectric single crystal (011)-cut [Pb(Mg1/3Nb2/3)O3](1-x)-[PbTiO3]x (PMN-PT, x≈ 0.30) and ferromagnetic polycrystalline Ni thin film through an interposed benzocyclobutene polymer thin film is reported. A nearly twofold increase in sensitivity of remanent magnetization in the Ni thin film to an applied electric field is observed. This observation suggests a viable method of improving the magnetoelectric response in these composite multiferroic systems.

  18. Communication: Relationship between solute localization and diffusion in a dynamically constrained polymer system

    Energy Technology Data Exchange (ETDEWEB)

    Saylor, David M.; Jawahery, Sudi; Silverstein, Joshua S.; Forrey, Christopher [Center for Devices and Radiological Health, FDA, Silver Spring, Maryland 20993 (United States)

    2016-07-21

    We investigate the link between dynamic localization, characterized by the Debye–Waller factor, 〈u{sup 2}〉, and solute self-diffusivity, D, in a polymer system using atomistic molecular dynamics simulations and vapor sorption experiments. We find a linear relationship between lnD and 1/〈u{sup 2}〉 over more than four decades of D, encompassing most of the glass formation regime. The observed linearity is consistent with the Langevin dynamics in a periodically varying potential field and may offer a means to rapidly assess diffusion based on the characterization of dynamic localization.

  19. Solid polymer electrolyte on the basis of polyethylene carbonate-lithium perchlorate system

    International Nuclear Information System (INIS)

    Dukhanin, G.P.; Dumler, S.A.; Sablin, A.N.; Novakov, I.A.

    2009-01-01

    Reaction in the system polyethylene carbonate-lithium perchlorate was investigated by IR spectroscopy, differential thermal and X-ray structural analyses. Specific electric conductivity of the prepared composition has been measured. Solid polymer electrolytes on the basis of polyethylene carbonate have conducting properties as electrolytes on the basis of unmodified polyethylene oxide. Compositions of polyethylene carbonate : LiClO 4 =10 : 1Al 2 O 3 -ZrO 2 possess maximum value of electrical conductivity. Activation energies of the process is calculated for all investigated compositions, and dependence of these values from concentration of lithium perchlorate is established

  20. RCLED Optimization and Nonlinearity Compensation in a Polymer Optical Fiber DMT System

    Directory of Open Access Journals (Sweden)

    Pu Miao

    2016-09-01

    Full Text Available In polymer optical fiber (POF systems, the nonlinear transfer function of the resonant cavity light emitting diode (RCLED drastically degrades the communication performance. After investigating the characteristics of the RCLED nonlinear behavior, an improved digital look-up-table (LUT pre-distorter, based on an adaptive iterative algorithm, is proposed. Additionally, the system parameters, including the bias current, the average electrical power, the LUT size and the step factor are also jointly optimized to achieve a trade-off between the system linearity, reliability and the computational complexity. With the proposed methodology, both the operating point and efficiency of RCLED are enhanced. Moreover, in the practical 50 m POF communication system with the discrete multi-tone (DMT modulation, the bit error rate performance is improved by over 12 dB when RCLED is operating in the nonlinear region. Therefore, the proposed pre-distorter can both resist the nonlinearity and improve the operating point of RCLED.

  1. Fundamental molecular design for precise control of thermoresponsiveness of organic polymers by using ternary systems.

    Science.gov (United States)

    Amemori, Shogo; Kokado, Kenta; Sada, Kazuki

    2012-05-23

    The de novo design of thermosensitive polymers in solution has been achieved by using the addition of small organic molecules (or "effectors"). Hydrogen bonding as an attractive polymer-polymer or polymer-effector interaction substantially dominates the responsivity, causing facile switching between LCST-type and UCST-type phase transitions, control of the transition temperature, and further coincidence of the two transitions. Small molecules having a high affinity for the polymer induce UCST-type phase behavior, whereas those having a low affinity for the polymer showed LCST-type phase behavior.

  2. The hydrodynamic size of polymer stabilized nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    Krueger, Karl M; Al-Somali, Ali M; Mejia, Michelle; Colvin, Vicki L [Department of Chemistry, Rice University, MS-60 6100 Main Street, Houston, TX 77005 (United States)

    2007-11-28

    For many emerging applications, nanocrystals are surface functionalized with polymers to control self-assembly, prevent aggregation, and promote incorporation into polymer matrices and biological systems. The hydrodynamic diameter of these nanoparticle-polymer complexes is a critical factor for many applications, and predicting this size is complicated by the fact that the structure of the grafted polymer at a nanocrystalline interface is not generally established. In this work we evaluate using size-exclusion chromatography the overall hydrodynamic diameter of nanocrystals (Au, CdSe, d<5 nm) surface coated with polystyrene of varying molecular weight. The polymer is tethered to the nanoparticles via a terminal thiol to provide strong attachment. Our data show that at full coverage the polymer assumes a brush conformation and is 44% longer than the unbound polymer in solution. The brush conformation is confirmed by comparison with models used to describe polymer brushes at flat interfaces. From this work, we suggest an empirical formula which predicts the hydrodynamic diameter of polymer coated nanoparticles based on the size of the nanoparticle core and the size of the randomly coiled unbound polymer in solution.

  3. Exploring the role of internal friction in the dynamics of unfolded proteins using simple polymer models

    Science.gov (United States)

    Cheng, Ryan R.; Hawk, Alexander T.; Makarov, Dmitrii E.

    2013-02-01

    Recent experiments showed that the reconfiguration dynamics of unfolded proteins are often adequately described by simple polymer models. In particular, the Rouse model with internal friction (RIF) captures internal friction effects as observed in single-molecule fluorescence correlation spectroscopy (FCS) studies of a number of proteins. Here we use RIF, and its non-free draining analog, Zimm model with internal friction, to explore the effect of internal friction on the rate with which intramolecular contacts can be formed within the unfolded chain. Unlike the reconfiguration times inferred from FCS experiments, which depend linearly on the solvent viscosity, the first passage times to form intramolecular contacts are shown to display a more complex viscosity dependence. We further describe scaling relationships obeyed by contact formation times in the limits of high and low internal friction. Our findings provide experimentally testable predictions that can serve as a framework for the analysis of future studies of contact formation in proteins.

  4. A mathematical model of the solid-polymer-electrolyte fuel cell

    International Nuclear Information System (INIS)

    Bernardi, D.M.; Verbrugge, M.W.

    1992-01-01

    This paper presents a mathematical model of the solid-polymer-electrolyte fuel cell and apply it to (i) investigate factors that limit cell performance and (ii) elucidate the mechanism of species transport in the complex network of gas, liquid, and solid phases of the cell. Calculations of cell polarization behavior compare favorably with existing experimental data. For most practical electrode thicknesses, model results indicate that the volume fraction of the cathode available for gas transport must exceed 20% in order to avoid unacceptably low cell-limiting current densities. It is shown that membrane dehydration can also pose limitations on operating current density; circumvention of this problem by appropriate membrane and electrode design and efficient water-management schemes is discussed. The authors' model results indicate that for a broad range of practical current densities there are no external water requirements because the water produced at the cathode is enough to satisfy the water requirement of the membrane

  5. Modeling the dynamics of polymer chains in water solution. Application to sensor design

    Science.gov (United States)

    Starovoitov, V. N.; Starovoitova, B. N.

    2017-10-01

    This paper is devoted to a mathematical model of a chaotic dynamics of a polymer chain in water. The model consists of a parabolic equation that is derived according to the self-consistent field approach. This model is employed for the numerical simulation of a biological sensor that detects the presence of a specific protein in the fluid. The sensor is absolutely simple and seems to be new. Besides that, the suggested equation is interesting from the mathematical point of view. It includes a non-local operator of integration not only over the past time interval as in the problems with memory but also over the future time interval. It is unusual for parabolic problems.

  6. Ionic polymer-metal composite torsional sensor: physics-based modeling and experimental validation

    Science.gov (United States)

    Aidi Sharif, Montassar; Lei, Hong; Khalid Al-Rubaiai, Mohammed; Tan, Xiaobo

    2018-07-01

    Ionic polymer-metal composites (IPMCs) have intrinsic sensing and actuation properties. Typical IPMC sensors are in the shape of beams and only respond to stimuli acting along beam-bending directions. Rod or tube-shaped IPMCs have been explored as omnidirectional bending actuators or sensors. In this paper, physics-based modeling is studied for a tubular IPMC sensor under pure torsional stimulus. The Poisson–Nernst–Planck model is used to describe the fundamental physics within the IPMC, where it is hypothesized that the anion concentration is coupled to the sum of shear strains induced by the torsional stimulus. Finite element simulation is conducted to solve for the torsional sensing response, where some of the key parameters are identified based on experimental measurements using an artificial neural network. Additional experimental results suggest that the proposed model is able to capture the torsional sensing dynamics for different amplitudes and rates of the torsional stimulus.

  7. Full Scale Reinforced Concrete Beam-Column Joints Strengthened with Steel Reinforced Polymer Systems

    Directory of Open Access Journals (Sweden)

    Alessandro De Vita

    2017-07-01

    Full Text Available This paper presents the results of an experimental campaign performed at the Laboratory of Materials and Structural Testing of the University of Salerno (Italy in order to investigate the seismic performance of reinforced concrete (RC beam-column joints strengthened with steel reinforced polymer (SRP systems. With the aim to represent typical façade frames’ beam-column subassemblies found in existing RC buildings, specimens were provided with two short beam stubs orthogonal to the main beam and were designed with inadequate seismic details. Five members were strengthened by using two different SRP layouts while the remaining ones were used as benchmarks. Once damaged, two specimens were also repaired, retrofitted with SRP, and subjected to cyclic test again. The results of cyclic tests performed on SRP strengthened joints are examined through a comparison with the outcomes of the previous experimental program including companion specimens not provided with transverse beam stubs and strengthened by carbon fiber-reinforced polymer (CFRP systems. In particular, both qualitative and quantitative considerations about the influence of the confining effect provided by the secondary beams on the joint response, the suitability of all the adopted strengthening solutions (SRP/CFRP systems, the performances and the failure modes experienced in the several cases studied are provided.

  8. Full Scale RC Beam-Column Joints Strengthened with Steel Reinforced Polymer Systems

    Science.gov (United States)

    De Vita, Alessandro; Napoli, Annalisa; Realfonzo, Roberto

    2017-07-01

    This paper presents the results of an experimental campaign performed at the Laboratory of Materials and Structural Testing of the University of Salerno (Italy) in order to investigate the seismic performance of RC beam-column joints strengthened with Steel Reinforced Polymer (SRP) systems. With the aim to represent typical façade frames’ beam-column subassemblies found in existing RC buildings, specimens were provided with two short beam stubs orthogonal to the main beam and were designed with inadequate seismic details. Five members were strengthened by using two different SRP layouts while the remaining ones were used as benchmarks. Once damaged, two specimens were also repaired, retrofitted with SRP and subjected to cyclic test again. The results of cyclic tests performed on SRP strengthened joints are examined through a comparison with the outcomes of the previous experimental program including companion specimens not provided with transverse beam stubs and strengthened by Carbon Fiber Reinforced Polymer (CFRP) systems. In particular, both qualitative and quantitative considerations about the influence of the confining effect provided by the secondary beams on the joint response, the suitability of all the adopted strengthening solutions (SRP/CFRP systems), the performances and the failure modes experienced in the several cases studied are provided.

  9. Computational Modeling of Shape Memory Polymer Origami that Responds to Light

    Science.gov (United States)

    Mailen, Russell William

    Shape memory polymers (SMPs) transform in response to external stimuli, such as infrared (IR) light. Although SMPs have many applications, this investigation focuses on their use as actuators in self-folding origami structures. Ink patterned on the surface of the SMP sheet absorbs thermal energy from the IR light, which produces localized heating. The material shrinks wherever the activation temperature is exceeded and can produce out-of-plane deformation. The time and temperature dependent response of these SMPs provides unique opportunities for developing complex three-dimensional (3D) structures from initially flat sheets through self-folding origami, but the application of this technique requires predicting accurately the final folded or deformed shape. Furthermore, current computational approaches for SMPs do not fully couple the thermo-mechanical response of the material. Hence, a proposed nonlinear, 3D, thermo-viscoelastic finite element framework was formulated to predict deformed shapes for different self-folding systems and compared to experimental results for self-folding origami structures. A detailed understanding of the shape memory response and the effect of controllable design parameters, such as the ink pattern, pre-strain conditions, and applied thermal and mechanical fields, allows for a predictive understanding and design of functional, 3D structures. The proposed modeling framework was used to obtain a fundamental understanding of the thermo-mechanical behavior of SMPs and the impact of the material behavior on hinged self-folding. These predictions indicated how the thermal and mechanical conditions during pre-strain significantly affect the shrinking and folding response of the SMP. Additionally, the externally applied thermal loads significantly influenced the folding rate and maximum bending angle. The computational framework was also adapted to understand the effects of fully coupling the thermal and mechanical response of the material

  10. Radiation-induced free radical reactions in polymer/drug systems for controlled release: an EPR investigation

    Energy Technology Data Exchange (ETDEWEB)

    Faucitano, A. E-mail: chemrad@unipv.it; Buttafava, A.; Montanari, L.; Cilurzo, F.; Conti, B.; Genta, I.; Valvo, L

    2003-05-01

    The primary and secondary free radical intermediates in the gamma radiolysis of poly(D,L-lactide-co-glycolide) (PLGA) and clonazepam loaded PLGA microspheres were investigated by matrix EPR spectroscopy in the temperature range 77-298 K. Drug-polymer interactions were found to be important leading to significant deviations of the G(radicals) from the additivity law. In particular, in the mixed system a stabilization of the polymer matrix with respect to the radiation damage was detected, witnessed by a decrease of the overall polymer radicals yield which is accompanied by an increase of the drug radicals yield. These effects have been attributed to the scavenging properties of the nitro group with respect to electrons and polymer radicals. It is conceivable that such conclusions be of general application for all pharmaceutical formulations containing drugs bearing nitro groups in their chemical structure.

  11. Computational modeling of elastic properties of carbon nanotube/polymer composites with interphase regions. Part II: Mechanical modeling

    KAUST Repository

    Han, Fei

    2014-01-01

    We present two modeling approaches for predicting the macroscopic elastic properties of carbon nanotubes/polymer composites with thick interphase regions at the nanotube/matrix frontier. The first model is based on local continuum mechanics; the second one is based on hybrid local/non-local continuum mechanics. The key computational issues, including the peculiar homogenization technique and treatment of periodical boundary conditions in the non-local continuum model, are clarified. Both models are implemented through a three-dimensional geometric representation of the carbon nanotubes network, which has been detailed in Part I. Numerical results are shown and compared for both models in order to test convergence and sensitivity toward input parameters. It is found that both approaches provide similar results in terms of homogenized quantities but locally can lead to very different microscopic fields. © 2013 Elsevier B.V. All rights reserved.

  12. Thermally responsive polymer systems for self-healing, reversible adhesion and shape memory applications

    Science.gov (United States)

    Luo, Xiaofan

    Responsive polymers are "smart" materials that are capable of performing prescribed, dynamic functions under an applied stimulus. In this dissertation, we explore several novel design strategies to develop thermally responsive polymers and polymer composites for self-healing, reversible adhesion and shape memory applications. In the first case described in Chapters 2 and 3, a thermally triggered self-healing material was prepared by blending a high-temperature epoxy resin with a thermoplastic polymer, poly(epsilon-caprolactone) (PCL). The initially miscible system undergoes polymerization induced phase separation (PIPS) during the curing of epoxy and yields a variety of compositionally dependent morphologies. At a particular PCL loading, the cured blend displays a "bricks-and-mortar" morphology in which epoxy exists as interconnected spheres ("bricks") within a continuous PCL matrix ("mortar"). A heat induced "bleeding" phenomenon was observed in the form of spontaneous wetting of all free surfaces by the molten PCL, and is attributed to the volumetric thermal expansion of PCL above its melting point in excess of epoxy brick expansion, which we term differential expansive bleeding (DEB). This DEB is capable of healing damage such as cracks. In controlled self-healing experiments, heating of a cracked specimen led to PCL bleeding from the bulk that yields a liquid layer bridging the crack gap. Upon cooling, a "scar" composed of PCL crystals was formed at the site of the crack, restoring a significant portion of mechanical strength. We further utilized DEB to enable strong and thermally-reversible adhesion of the material to itself and to metallic substrates, without any requirement for macroscopic softening or flow. After that, Chapters 4--6 present a novel composite strategy for the design and fabrication of shape memory polymer composites. The basic approach involves physically combining two or more functional components into an interpenetrating fiber

  13. A thermodynamic approach to model the caloric properties of semicrystalline polymers

    Science.gov (United States)

    Lion, Alexander; Johlitz, Michael

    2016-05-01

    It is well known that the crystallisation and melting behaviour of semicrystalline polymers depends in a pronounced manner on the temperature history. If the polymer is in the liquid state above the melting point, and the temperature is reduced to a level below the glass transition, the final degree of crystallinity, the amount of the rigid amorphous phase and the configurational state of the mobile amorphous phase strongly depend on the cooling rate. If the temperature is increased afterwards, the extents of cold crystallisation and melting are functions of the heating rate. Since crystalline and amorphous phases exhibit different densities, the specific volume depends also on the temperature history. In this article, a thermodynamically based phenomenological approach is developed which allows for the constitutive representation of these phenomena in the time domain. The degree of crystallinity and the configuration of the amorphous phase are represented by two internal state variables whose evolution equations are formulated under consideration of the second law of thermodynamics. The model for the specific Gibbs free energy takes the chemical potentials of the different phases and the mixture entropy into account. For simplification, it is assumed that the amount of the rigid amorphous phase is proportional to the degree of crystallinity. An essential outcome of the model is an equation in closed form for the equilibrium degree of crystallinity in dependence on pressure and temperature. Numerical simulations demonstrate that the process dependences of crystallisation and melting under consideration of the glass transition are represented.

  14. Development of anti-scale poly(aspartic acid-citric acid) dual polymer systems for water treatment.

    Science.gov (United States)

    Nayunigari, Mithil Kumar; Gupta, Sanjay Kumar; Kokkarachedu, Varaprasad; Kanny, K; Bux, F

    2014-01-01

    The formation of calcium sulphate and calcium carbonate scale poses major problems in heat exchangers and water cooling systems, thereby affecting the performance of these types of equipment. In order to inhibit these scale formations, new types of biodegradable water soluble single polymer and dual poly(aspartic acid-citric acid) polymers were developed and tested. The effectiveness of single polymer and four different compositions of poly aspartic acid and citric acid dual polymer systems as scale inhibitors were evaluated. Details of the synthesis, thermal stability, scale inhibition and the morphological characterization of single and dual polymers are presented in this scientific paper. It was found that the calcium sulphate scale inhibition rate was in the range 76.06-91.45%, while the calcium carbonate scale inhibition rate observed was in the range 23.37-30.0% at 65-70 °C. The finding suggests that the water soluble dual polymers are very effective in sulphate scale inhibition in comparison of calcium carbonate scale inhibition.

  15. A Mechanistic Model for Drug Release in PLGA Biodegradable Stent Coatings Coupled with Polymer Degradation and Erosion

    Science.gov (United States)

    Zhu, Xiaoxiang; Braatz, Richard D.

    2015-01-01

    Biodegradable poly(D,L-lactic-co-glycolic acid) (PLGA) coating for applications in drug-eluting stents has been receiving increasing interest as a result of its unique properties compared with biodurable polymers in delivering drug for reducing stents-related side effects. In this work, a mathematical model for describing the PLGA degradation and erosion and coupled drug release from PLGA stent coating is developed and validated. An analytical expression is derived for PLGA mass loss that predicts multiple experimental studies in the literature. An analytical model for the change of the number-average degree of polymerization (or molecular weight) is also derived. The drug transport model incorporates simultaneous drug diffusion through both the polymer solid and the liquid-filled pores in the coating, where an effective drug diffusivity model is derived taking into account factors including polymer molecular weight change, stent coating porosity change, and drug partitioning between solid and aqueous phases. The model is used to describe in vitro sirolimus release from PLGA stent coating, and demonstrates the significance of simultaneous sirolimus release via diffusion through both polymer solid and pore space. The proposed model is compared to existing drug transport models, and the impact of model parameters, limitations and possible extensions of the model are also discussed. PMID:25345656

  16. Amphipathic DNA polymers exhibit antiviral activity against systemic Murine Cytomegalovirus infection

    Directory of Open Access Journals (Sweden)

    Juteau Jean-Marc

    2009-12-01

    Full Text Available Abstract Background Phosphorothioated oligonucleotides (PS-ONs have a sequence-independent, broad spectrum antiviral activity as amphipathic polymers (APs and exhibit potent in vitro antiviral activity against a broad spectrum of herpesviruses: HSV-1, HSV-2, HCMV, VZV, EBV, and HHV-6A/B, and in vivo activity in a murine microbiocide model of genital HSV-2 infection. The activity of these agents against animal cytomegalovirus (CMV infections in vitro and in vivo was therefore investigated. Results In vitro, a 40 mer degenerate AP (REP 9 inhibited both murine CMV (MCMV and guinea pig CMV (GPCMV with an IC50 of 0.045 μM and 0.16 μM, respectively, and a 40 mer poly C AP (REP 9C inhibited MCMV with an IC50 of 0.05 μM. Addition of REP 9 to plaque assays during the first two hours of infection inhibited 78% of plaque formation whereas addition of REP 9 after 10 hours of infection did not significantly reduce the number of plaques, indicating that REP 9 antiviral activity against MCMV occurs at early times after infection. In a murine model of CMV infection, systemic treatment for 5 days significantly reduced virus replication in the spleens and livers of infected mice compared to saline-treated control mice. REP 9 and REP 9C were administered intraperitoneally for 5 consecutive days at 10 mg/kg, starting 2 days prior to MCMV infection. Splenomegaly was observed in infected mice treated with REP 9 but not in control mice or in REP 9 treated, uninfected mice, consistent with mild CpG-like activity. When REP 9C (which lacks CpG motifs was compared to REP 9, it exhibited comparable antiviral activity as REP 9 but was not associated with splenomegaly. This suggests that the direct antiviral activity of APs is the predominant therapeutic mechanism in vivo. Moreover, REP 9C, which is acid stable, was effective when administered orally in combination with known permeation enhancers. Conclusion These studies indicate that APs exhibit potent, well tolerated

  17. Molecular rheology of branched polymers: decoding and exploring the role of architectural dispersity through a synergy of anionic synthesis, interaction chromatography, rheometry and modeling.

    Science.gov (United States)

    van Ruymbeke, E; Lee, H; Chang, T; Nikopoulou, A; Hadjichristidis, N; Snijkers, F; Vlassopoulos, D

    2014-07-21

    polymers. It is important to appreciate that, even optimal model systems, i.e., those synthesized with high-vacuum anionic methods, need thorough characterization via a combination of techniques. Besides helping to improve synthetic techniques, this methodology will be significant in fine-tuning mesoscopic tube-based models and addressing outstanding issues such as the quantitative description of the constraint release mechanism.

  18. Molecular rheology of branched polymers: Decoding and exploring the role of architectural dispersity through a synergy of anionic synthesis, interaction chromatography, rheometry and modeling

    KAUST Repository

    Van Ruymbeke, Evelyne

    2014-01-01

    polymers. It is important to appreciate that, even optimal model systems, i.e., those synthesized with high-vacuum anionic methods, need thorough characterization via a combination of techniques. Besides helping to improve synthetic techniques, this methodology will be significant in fine-tuning mesoscopic tube-based models and addressing outstanding issues such as the quantitative description of the constraint release mechanism. © 2014 the Partner Organisations.

  19. Dynamic model of ion and water transport in ionic polymer-metal composites

    Directory of Open Access Journals (Sweden)

    Zicai Zhu

    2011-12-01

    Full Text Available In the process of electro-mechanical transduction of ionic polymer-metal composites (IPMCs, the transport of ion and water molecule plays an important role. In this paper, the theoretical transport models of IPMCs are critically reviewed, with particular emphasis on the recent developments in the latest decade. The models can be divided into three classes, thermodynamics of irreversible process model, frictional model and Nernst-Planck (NP equation model. To some extent the three models can be transformed into each other, but their differences are also obvious arising from the various mechanisms that considered in different models. The transport of ion and water molecule in IPMCs is compared with that in membrane electrode assembly and electrodialysis membrane to identify and clarify the fundamental transport mechanisms in IPMCs. And an improved transport model is proposed and simplified for numerical analysis. The model considers the convection effect rather than the diffusion as the major transport mechanism, and both the self-diffusion and the electroosmosis drag are accounted for in the water flux equation.

  20. Development and validation of an in vitro pharmacokinetic/pharmacodynamic model to test the antibacterial efficacy of antibiotic polymer conjugates.

    Science.gov (United States)

    Azzopardi, Ernest A; Ferguson, Elaine L; Thomas, David W

    2015-04-01

    This study describes the use of a novel, two-compartment, static dialysis bag model to study the release, diffusion, and antibacterial activity of a novel, bioresponsive dextrin-colistin polymer conjugate against multidrug resistant (MDR) wild-type Acinetobacter baumannii. In this model, colistin sulfate, at its MIC, produced a rapid and extensive drop in viable bacterial counts (growth for up to 48 h, with 3 log10 CFU/ml lower bacterial counts after 48 h than those of controls. Doubling the concentration of dextrin-colistin conjugate (to 2× MIC) led to an initial bacterial killing of 3 log10 CFU/ml at 8 h, with a similar regrowth profile to 1× MIC treatment thereafter. The addition of colistin sulfate (1× MIC) to dextrin-colistin conjugate (1× MIC) resulted in undetectable bacterial counts after 4 h, followed by suppressed bacterial growth (3.5 log10 CFU/ml lower than that of control at 48 h). Incubation of dextrin-colistin conjugates with infected wound exudate from a series of burn patients (n = 6) revealed an increasing concentration of unmasked colistin in the outer compartment (OC) over time (up to 86.3% of the initial dose at 48 h), confirming that colistin would be liberated from the conjugate by endogenous α-amylase within the wound environment. These studies confirm the utility of this model system to simulate the pharmacokinetics of colistin formation in humans administered dextrin-colistin conjugates and further supports the development of antibiotic polymer conjugates in the treatment of MDR infections. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

  1. Mathematical model of fructan biosynthesis and polymer length distribution in plants

    DEFF Research Database (Denmark)

    Rasmussen, Gitte Susanne; Thornley, John H. M.; Parsons, Anthony J.

    2013-01-01

    polymers. This is run until a steady state is achieved for which a polymer distribution is predicted. It is shown how qualitatively different distributions can be obtained.Key Results It is demonstrated how a set of experimental results on polymer distribution can by simulated by a simple parameter...

  2. Solid polymer electrolyte water electrolysis system development. [to generate oxygen for manned space station applications

    Science.gov (United States)

    1975-01-01

    Solid polymer electrolyte technology used in a water electrolysis system (WES) to generate oxygen and hydrogen for manned space station applications was investigated. A four-man rated, low pressure breadboard water electrolysis system with the necessary instrumentation and controls was fabricated and tested. A six man rated, high pressure, high temperature, advanced preprototype WES was developed. This configuration included the design and development of an advanced water electrolysis module, capable of operation at 400 psig and 200 F, and a dynamic phase separator/pump in place of a passive phase separator design. Evaluation of this system demonstrated the goal of safe, unattended automated operation at high pressure and high temperature with an accumulated gas generation time of over 1000 hours.

  3. Spatial modeling of the 3D morphology of hybrid polymer-ZnO solar cells, based on electron tomography data

    NARCIS (Netherlands)

    Stenzel, O.; Hassfeld, H.; Thiedmann, R.; Koster, L. J. A.; Oosterhout, S. D.; van Bavel, S. S.; Wienk, M. M.; Loos, J.; Janssen, R. A. J.; Schmidt, V.

    A spatial stochastic model is developed which describes the 3D nanomorphology of composite materials, being blends of two different (organic and inorganic) solid phases. Such materials are used, for example, in photoactive layers of hybrid polymer zinc oxide solar cells. The model is based on ideas

  4. (Liquid plus liquid) equilibria of binary polymer solutions using a free-volume UNIQUAC-NRF model

    DEFF Research Database (Denmark)

    Radfarnia, H.R.; Ghotbi, C.; Taghikhani, V.

    2006-01-01

    + liquid) equilibria (LLE) for a number of binary polymer solutions at various temperatures. The values for the binary characteristic energy parameters for the proposed model and the FV-UNIQUAC model along with their average relative deviations from the experimental data were reported. It should be stated...

  5. Further Improvement and System Integration of High Temperature Polymer Electrolyte Membrane Fuel Cells

    DEFF Research Database (Denmark)

    Jensen, Jens Oluf; Li, Qingfeng

    Polymer electrolyte membrane fuel cell (PEMFC) technology based on Nafion membranes can operate at temperatures around 80°C. The new development in the field is high temperature PEMFC for operation above 100°C, which has been successfully demonstrated through the previous EC Joule III and the 5th......, and system integration of the high temperature PEMFC. The strategic developments of the FURIM are in three steps: (1) further improvement of the high temperature polymer membranes and related materials; (2) development of technological units including fuel cell stack, hydrocarbon reformer, afterburner...... and power management system, that are compatible with the HT-PEMFC; and (3) integration of the HT-PEMFC stack with these compatible subunits. The main goal of the project is a 2kWel HT-PEMFC stack operating in a temperature range of 120-220°C, with a single cell performance target of 0.7 A/cm² at a cell...

  6. Comparison of two polymer-based immunohistochemical detection systems: ENVISION+ and ImmPRESS.

    Science.gov (United States)

    Ramos-Vara, José A; Miller, Margaret A

    2006-11-01

    The non-specific background reaction produced in avidin-biotin-based immunohistochemistry, particularly after harsh antigen retrieval procedures, has promoted the use of non-avidin-biotin systems, yet there are few reports comparing the performance of non-avidin-biotin, polymer-based methods. In this study we compare two of these methods, ENVISION+trade mark and ImmPRESS, in animal tissues. We examined the immunoreactivity of 18 antigens in formalin-fixed, paraffin-embedded tissues. Antigens were located in the cytoplasmic membrane (CD11d, CD18 and CD79a), cytoplasm (calretinin, COX-1, COX-2, Glut-1, HepPar 1, KIT, Melan A, tryptase and uroplakin III) or nucleus (MUM-1, PGP 9.5 and thyroid transcription factor 1). We also evaluated three infectious agents (Aspergillus, calicivirus and West Nile virus). The staining with ENVISION+ or ImmPRESS was performed simultaneously for each antigen. The intensity of the reaction and background staining were scored. ImmPRESS yielded similar or higher reaction intensity than ENVISION+trade mark in 16/18 antigens. ImmPRESS produced abundant background with the other two antigens (calretinin and COX-2), which hindered interpretation of the specific reaction. The cost of ImmPRESS was 25% lower than for ENVISION+trade mark. Based on these results, ImmPRESS is a good polymer-based detection system for routine immunohistochemistry.

  7. A stress-induced phase transition model for semi-crystallize shape memory polymer

    Science.gov (United States)

    Guo, Xiaogang; Zhou, Bo; Liu, Liwu; Liu, Yanju; Leng, Jinsong

    2014-03-01

    The developments of constitutive models for shape memory polymer (SMP) have been motivated by its increasing applications. During cooling or heating process, the phase transition which is a continuous time-dependent process happens in semi-crystallize SMP and the various individual phases form at different temperature and in different configuration. Then, the transformation between these phases occurred and shape memory effect will emerge. In addition, stress applied on SMP is an important factor for crystal melting during phase transition. In this theory, an ideal phase transition model considering stress or pre-strain is the key to describe the behaviors of shape memory effect. So a normal distributed model was established in this research to characterize the volume fraction of each phase in SMP during phase transition. Generally, the experiment results are partly backward (in heating process) or forward (in cooling process) compared with the ideal situation considering delay effect during phase transition. So, a correction on the normal distributed model is needed. Furthermore, a nonlinear relationship between stress and phase transition temperature Tg is also taken into account for establishing an accurately normal distributed phase transition model. Finally, the constitutive model which taking the stress as an influence factor on phase transition was also established. Compared with the other expressions, this new-type model possesses less parameter and is more accurate. For the sake of verifying the rationality and accuracy of new phase transition and constitutive model, the comparisons between the simulated and experimental results were carried out.

  8. In vivo evaluation of anionic thiolated polymers as oral delivery systems for efflux pump inhibition.

    Science.gov (United States)

    Palmberger, Thomas F; Laffleur, Flavia; Greindl, Melanie; Bernkop-Schnürch, Andreas

    2015-08-01

    Recently, the cationic polymer thiolated chitosan has been reported to modulate drug absorption by inhibition of intestinal efflux pumps. The objective of this study was to evaluate in vitro and in vivo whether thiolated anionic biopolymers also show an efflux pump inhibitory effect in order to improve intestinal transcellular drug uptake. Therefore, three thiomers have been synthesized due covalent attachment of cysteine to various polymer backbones: pectin-cysteine (pect-cys), carboxymethylcellulose-cysteine (CMC-cys) and alginate-cysteine (alg-cys). In vitro, the permeation enhancing properties of these thiomers and their corresponding unmodified polymers have been evaluated on rat small intestine in Ussing-type chambers, using sulforhodamine 101 (SR-101) as MRP2 model substrate. In comparison to buffer only, SR-101 transport in presence of pect-cys, CMC-cys and alg-cys was improved 1.5-fold, 1.8-fold and 3.0-fold, respectively. Due to the comparatively best in vitro performance of thiolated alginate, it has been chosen for in vivo studies: a SR-101 solution containing 4% (w/v) alg-cys led to an AUC0 ≥ 12 of SR-101 of 109 ng ml(-1)h in rats representing a 3.8-fold improvement in comparison to a SR-101 buffer solution. Unmodified alginate improved the AUC0 ≥ 12 of SR-101 by a factor of 1.9. These findings suggest thiolated alginate as promising auxiliary agent for drugs being anionic efflux pump substrates, since the oral bioavailability of a MRP2 substrate could be significantly improved. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. Nonlinear empirical model of gas humidity-related voltage dynamics of a polymer-electrolyte-membrane fuel cell stack

    Science.gov (United States)

    Meiler, M.; Andre, D.; Schmid, O.; Hofer, E. P.

    Intelligent energy management is a cost-effective key path to realize efficient automotive drive trains [R. O'Hayre, S.W. Cha, W. Colella, F.B. Prinz. Fuel Cell Fundamentals, John Wiley & Sons, Hoboken, 2006]. To develop operating strategy in fuel cell drive trains, precise and computational efficient models of all system components, especially the fuel cell stack, are needed. Should these models further be used in diagnostic or control applications, then some major requirements must be fulfilled. First, the model must predict the mean fuel cell voltage very precisely in all possible operating conditions, even during transients. The model output should be as smooth as possible to support best efficient optimization strategies of the complete system. At least, the model must be computational efficient. For most applications, a difference between real fuel cell voltage and model output of less than 10 mV and 1000 calculations per second will be sufficient. In general, empirical models based on system identification offer a better accuracy and consume less calculation resources than detailed models derived from theoretical considerations [J. Larminie, A. Dicks. Fuel Cell Systems Explained, John Wiley & Sons, West Sussex, 2003]. In this contribution, the dynamic behaviour of the mean cell voltage of a polymer-electrolyte-membrane fuel cell (PEMFC) stack due to variations in humidity of cell's reactant gases is investigated. The validity of the overall model structure, a so-called general Hammerstein model (or Uryson model), was introduced recently in [M. Meiler, O. Schmid, M. Schudy, E.P. Hofer. Dynamic fuel cell stack model for real-time simulation based on system identification, J. Power Sources 176 (2007) 523-528]. Fuel cell mean voltage is calculated as the sum of a stationary and a dynamic voltage component. The stationary component of cell voltage is represented by a lookup-table and the dynamic voltage by a parallel placed, nonlinear transfer function. A

  10. Modeling and flow analysis of pure nylon polymer for injection molding process

    International Nuclear Information System (INIS)

    Nuruzzaman, D M; Kusaseh, N; Basri, S; Hamedon, Z; Oumer, A N

    2016-01-01

    In the production of complex plastic parts, injection molding is one of the most popular industrial processes. This paper addresses the modeling and analysis of the flow process of the nylon (polyamide) polymer for injection molding process. To determine the best molding conditions, a series of simulations are carried out using Autodesk Moldflow Insight software and the processing parameters are adjusted. This mold filling commercial software simulates the cavity filling pattern along with temperature and pressure distributions in the mold cavity. In the modeling, during the plastics flow inside the mold cavity, different flow parameters such as fill time, pressure, temperature, shear rate and warp at different locations in the cavity are analyzed. Overall, this Moldflow is able to perform a relatively sophisticated analysis of the flow process of pure nylon. Thus the prediction of the filling of a mold cavity is very important and it becomes useful before a nylon plastic part to be manufactured. (paper)

  11. Electrochemical fabrication and modelling of mechanical behavior of a tri-layer polymer actuator

    International Nuclear Information System (INIS)

    Kaynak, Akif; Yang Chunhui; Lim, Yang C.; Kouzani, Abbas

    2011-01-01

    Stability and performance of electrochemically synthesized tri-layer polypyrrole based actuators were reported. Concentrations were optimized as 0.05 M pyrrole and 0.05 M tetrabutylammonium hexaflurophosphate in propylene carbonate (PC). The force output of the actuators ranged from 0.2 to 0.4 mN. Cyclic deflection tests on PC based actuators for a duration of 3 h indicated that the displacement decreased by 60%. However, actuation could be regenerated by immersing the actuator into the electrolyte solution. Surface resistivity measurements on the actuators prior to and after 3 h continuous deflection did not show any significant change in the resistivity of the PPy layer. A triple-layer model of the polymer actuator was developed based on the classic bending beam theory by considering strain continuity between PPy and PVDF. Results predicted by the model were in good agreement with the experimental data.

  12. A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide)

    International Nuclear Information System (INIS)

    Abbott, Lauren J.; Stevens, Mark J.

    2015-01-01

    In this study, a coarse-grained (CG) model is developed for the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM), using a hybrid top-down and bottom-up approach. Nonbonded parameters are fit to experimental thermodynamic data following the procedures of the SDK (Shinoda, DeVane, and Klein) CG force field, with minor adjustments to provide better agreement with radial distribution functions from atomistic simulations. Bonded parameters are fit to probability distributions from atomistic simulations using multi-centered Gaussian-based potentials. The temperature-dependent potentials derived for the PNIPAM CG model in this work properly capture the coil-globule transition of PNIPAM single chains and yield a chain-length dependence consistent with atomistic simulations

  13. A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide)

    Energy Technology Data Exchange (ETDEWEB)

    Abbott, Lauren J.; Stevens, Mark J., E-mail: msteve@sandia.gov [Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)

    2015-12-28

    A coarse-grained (CG) model is developed for the thermoresponsive polymer poly(N-isopropylacrylamide) (PNIPAM), using a hybrid top-down and bottom-up approach. Nonbonded parameters are fit to experimental thermodynamic data following the procedures of the SDK (Shinoda, DeVane, and Klein) CG force field, with minor adjustments to provide better agreement with radial distribution functions from atomistic simulations. Bonded parameters are fit to probability distributions from atomistic simulations using multi-centered Gaussian-based potentials. The temperature-dependent potentials derived for the PNIPAM CG model in this work properly capture the coil–globule transition of PNIPAM single chains and yield a chain-length dependence consistent with atomistic simulations.

  14. Discrete population balance models of random agglomeration and cleavage in polymer pyrolysis

    Directory of Open Access Journals (Sweden)

    John E. J. Staggs

    2017-05-01

    Full Text Available The processes of random agglomeration and cleavage (both of which are important for the development of new models of polymer combustion, but are also applicable in a wide range of fields including atmospheric physics, radiation modelling and astrophysics are analysed using population balance methods. The evolution of a discrete distribution of particles is considered within this framework, resulting in a set of ordinary differential equations for the individual particle concentrations. Exact solutions for these equations are derived, together with moment generating functions. Application of the discrete Laplace transform (analogous to the Z-transform is found to be effective in these problems, providing both exact solutions for particle concentrations and moment generating functions. The combined agglomeration-cleavage problem is also considered. Unfortunately, it has been impossible to find an exact solution for the full problem, but a stable steady state has been identified and computed.

  15. Modeling and flow analysis of pure nylon polymer for injection molding process

    Science.gov (United States)

    Nuruzzaman, D. M.; Kusaseh, N.; Basri, S.; Oumer, A. N.; Hamedon, Z.

    2016-02-01

    In the production of complex plastic parts, injection molding is one of the most popular industrial processes. This paper addresses the modeling and analysis of the flow process of the nylon (polyamide) polymer for injection molding process. To determine the best molding conditions, a series of simulations are carried out using Autodesk Moldflow Insight software and the processing parameters are adjusted. This mold filling commercial software simulates the cavity filling pattern along with temperature and pressure distributions in the mold cavity. In the modeling, during the plastics flow inside the mold cavity, different flow parameters such as fill time, pressure, temperature, shear rate and warp at different locations in the cavity are analyzed. Overall, this Moldflow is able to perform a relatively sophisticated analysis of the flow process of pure nylon. Thus the prediction of the filling of a mold cavity is very important and it becomes useful before a nylon plastic part to be manufactured.

  16. Sustained analgesic effect of clonidine co-polymer depot in a porcine incisional pain model.

    Science.gov (United States)

    Wilsey, Jared T; Block, Julie H

    2018-01-01

    Previous research suggests that the α 2 adrenergic agonist clonidine, a centrally acting analgesic and antihypertensive, may also have direct effects on peripheral pain generators. However, aqueous injections are limited by rapid systemic absorption leading to off target effects and a brief analgesic duration of action. The aim of this study was to examine the efficacy of a sustained-release clonidine depot, placed in the wound bed, in a pig incisional pain model. The depot was a 15 mm ×5 mm ×0.3 mm poly(lactide-co-caprolactone) polymer film containing 3% (w/w) clonidine HCl (MDT3). Fifty-two young adult mix Landrace pigs (9-11 kg) were divided into seven groups. All subjects received a 6 cm, full-thickness, linear incision into the left lateral flank. Group 1 served as a Sham control group (Sham, n=8). Group 2 received three placebo strips (PBO, n=8), placed end-to-end in the subcutaneous wound bed before wound closure. Group 3 received one MDT3 and two PBO (n=8), Group 4 received two MDT3 and one PBO (n=8), and Group 5 received three MDT3 (n=8). Positive control groups received peri-incisional injections of bupivacaine solution (Group 6, 30 mg/day bupivacaine, n=8) or clonidine solution (Group 7, 225 µg/day, n=4). The surgical procedure was associated with significant peri-incisional tactile allodynia. There was a dose-dependent effect of MDT3 in partially reversing the peri-incisional tactile allodynia, with maximum pain relief relative to Sham at 72 hours. Daily injections of bupivacaine (30 mg), but not clonidine (up to 225 µg), completely reversed allodynia within 48 hours. There was a statistically significant correlation between the dose of MDT3 and cumulative withdrawal threshold from 4 hours through the conclusion of the study on day 7. These data suggest that a sustained-release clonidine depot may be a viable nonopioid, nonamide anesthetic therapy for the treatment of acute postsurgical nociceptive sensitization.

  17. Polymer films

    Science.gov (United States)

    Granick, Steve; Sukhishvili, Svetlana A.

    2004-05-25

    A film contains a first polymer having a plurality of hydrogen bond donating moieties, and a second polymer having a plurality of hydrogen bond accepting moieties. The second polymer is hydrogen bonded to the first polymer.

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

    KAUST Repository

    Liu, Hongyi; Li, Yan; Krause, Wendy E.; Rojas, Orlando J.; Pasquinelli, Melissa A.

    2012-01-01

    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.

  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. Experimental and Modeling Study of Solvent Diffusion in PDMS for Nanoparticle-Polymer Cosuspension Imprint Lithography.

    Science.gov (United States)

    Gervasio, Michelle; Lu, Kathy; Davis, Richey

    2015-09-15

    This study is the first that focuses on solvent migration in a polydimethylsiloxane (PDMS) stamp during the imprint lithography of ZnO-poly(methyl methacrylate) (PMMA) hybrid suspensions. Using suspensions with varying solids loading levels and ZnO/PMMA ratios, the uptake of the anisole solvent in the stamp is evaluated as a function of time. Laser confocal microscopy is employed as a unique technique to measure the penetration depth of the solvent into the stamp. The suspension solids loading affects the anisole saturation depth in the PDMS stamp. For the suspensions with low solids loading, the experimental data agree with the model for non-Fickian diffusion through a rubbery-elastic polymer. For the suspensions with high solids loading, the data agree more with a sigmoidal diffusion curve, reflecting the rubbery-viscous behavior of a swelling polymer. This difference is due to the degree of swelling in the PDMS. Higher solids loadings induce more swelling because the rate of anisole diffusing into the stamp is increased, likely due to the less dense buildup of the solids as the suspension dries.

  1. A new algorithm for DNS of turbulent polymer solutions using the FENE-P model

    Science.gov (United States)

    Vaithianathan, T.; Collins, Lance; Robert, Ashish; Brasseur, James

    2004-11-01

    Direct numerical simulations (DNS) of polymer solutions based on the finite extensible nonlinear elastic model with the Peterlin closure (FENE-P) solve for a conformation tensor with properties that must be maintained by the numerical algorithm. In particular, the eigenvalues of the tensor are all positive (to maintain positive definiteness) and the sum is bounded by the maximum extension length. Loss of either of these properties will give rise to unphysical instabilities. In earlier work, Vaithianathan & Collins (2003) devised an algorithm based on an eigendecomposition that allows you to update the eigenvalues of the conformation tensor directly, making it easier to maintain the necessary conditions for a stable calculation. However, simple fixes (such as ceilings and floors) yield results that violate overall conservation. The present finite-difference algorithm is inherently designed to satisfy all of the bounds on the eigenvalues, and thus restores overall conservation. New results suggest that the earlier algorithm may have exaggerated the energy exchange at high wavenumbers. In particular, feedback of the polymer elastic energy to the isotropic turbulence is now greatly reduced.

  2. Relaxation of entangled model H-shaped polymers a SANS investigation

    CERN Document Server

    Heinrich, M; Richter, D; Straube, E; Wiedenmann, A

    2002-01-01

    This study is related to the understanding of rheology of long-chain branched polymers. A model compound for long-chain branching (H-shaped architecture) was investigated in elongational flow as a function of time after a step strain to lambda=2. The experiments were performed in a strain rig with temperature and strain-rate control. The structure factor was measured after specific relaxation times intimately connected to the microscopic hierarchy of the polymer structure. The correlation hole effect and the quenched disorder in the scattering were described in a random phase approximation approach. This approach, already used for permanent rubber-elastic networks, has been modified to permit the observation of strain locally along the faster-relaxing arms. The data roughly follow the time scale of linear-shear rheology from which shift factors were derived. They confirm that bridge and arm relaxations can be treated in a decoupled, hierarchical way in time, although details of the analysis remain unsolved. (...

  3. Finite strain formulation of viscoelastic damage model for simulation of fabric reinforced polymers under dynamic loading

    Directory of Open Access Journals (Sweden)

    Treutenaere S.

    2015-01-01

    Full Text Available The use of fabric reinforced polymers in the automotive industry is growing significantly. The high specific stiffness and strength, the ease of shaping as well as the great impact performance of these materials widely encourage their diffusion. The present model increases the predictability of explicit finite element analysis and push the boundaries of the ongoing phenomenological model. Carbon fibre composites made up various preforms were tested by applying different mechanical load up to dynamic loading. This experimental campaign highlighted the physical mechanisms affecting the initial mechanical properties, namely intra- and interlaminar matrix damage, viscoelasticty and fibre failure. The intralaminar behaviour model is based on the explicit formulation of the matrix damage model developed by the ONERA as the given damage formulation correlates with the experimental observation. Coupling with a Maxwell-Wiechert model, the viscoelasticity is included without losing the direct explicit formulation. Additionally, the model is formulated under a total Lagrangian scheme in order to maintain consistency for finite strain. Thus, the material frame-indifference as well as anisotropy are ensured. This allows reorientation of fibres to be taken into account particularly for in-plane shear loading. Moreover, fall within the framework of the total Lagrangian scheme greatly makes the parameter identification easier, as based on the initial configuration. This intralaminar model thus relies upon a physical description of the behaviour of fabric composites and the numerical simulations show a good correlation with the experimental results.

  4. Low cost Polymer Optical Fibre based transmission system for feeding integrated broadband wireless in-house LANs

    NARCIS (Netherlands)

    Ng'Oma, A.; Koonen, A.M.J.; Tafur Monroy, I.; Boom, van den H.P.A.; Smulders, P.F.M.; Khoe, G.D.; Visser, D. Taco; Lenstra, Daan; Schouten, F. Hugo

    2002-01-01

    A bi-directional transmission system using low cost Polymer Optical Fibre (POF) to feed the required large number of radio access points in next-generation integrated broadband wireless in-house LANs is proposed. Results from simulations and experiments show that, by tuning system parameters, a

  5. Turkevich method for silver/titanium dioxide nanoparticles with antimicrobial application in polymers systems

    International Nuclear Information System (INIS)

    Olyveira, Gabriel Molina de; Pessan, Luiz Antonio

    2009-01-01

    Titanium dioxide nanoparticles were covered with silver nanoparticles using Turkevich Method or citrate reduction method. Silver and titanium dioxide has proved antimicrobial properties then the nanocomposite can be successful incorporated in polymer systems. Silver nitrate was reduced by sodium citrate in the presence of poly(vinyl pyrrolidone)(PVP) resulting in nano-Ag/TiO 2 stabilized suspension. It was tested ammonia hydroxide in the synthesis to avoid the nanoparticles growth. The Ag/TiO 2 nanoparticles were characterized with X-ray diffraction (XRD), Scanning electron microscopy (SEM) and x-ray photoelectron spectroscopy (XPS). The best system of coloidal nanoparticles was that one with Poly(vinyl pyrrolidone) and ammonia in the synthesis. (author)

  6. Multiscale Micromechanical Modeling of Polymer/Clay Nanocomposites and the Effective Clay Particle

    Science.gov (United States)

    Sheng, Nuo; Boyce, Mary C.; Parks, David M.; Manovitch, Oleg; Rutledge, Gregory C.; Lee, Hojun; McKinley, Gareth H.

    2003-03-01

    Polymer/clay nanocomposites have been observed to exhibit enhanced mechanical properties at low weight fractions (Wp) of clay. Continuum-based composite modeling reveals that the enhanced properties are strongly dependent on particular features of the second-phase ¡°particles¡+/-; in particular, the particle volume fraction (fp), the particle aspect ratio (L/t), and the ratio of particle mechanical properties to those of the matrix. However, these important aspects of as-processed nanoclay composites have yet to be consistently and accurately defined. A multiscale modeling strategy was developed to account for the hierarchical morphology of the nanocomposite: at a lengthscale of thousands of microns, the structure is one of high aspect ratio particles within a matrix; at the lengthscale of microns, the clay particle structure is either (a) exfoliated clay sheets of nanometer level thickness or (b) stacks of parallel clay sheets separated from one another by interlayer galleries of nanometer level height. Here, quantitative structural parameters extracted from XRD patterns and TEM micrographs are used to determine geometric features of the as-processed clay ¡°particles¡+/-, including L/t and the ratio of fp to Wp. These geometric features, together with estimates of silicate lamina stiffness obtained from molecular dynamics simulations, provide a basis for modeling effective mechanical properties of the clay particle. The structure-based predictions of the macroscopic elastic modulus of the nanocomposite as a function of clay weight fraction are in excellent agreement with experimental data. The adopted methodology offers promise for study of related properties in polymer/clay nanocomposites.

  7. Modelling of loading, stress relaxation and stress recovery in a shape memory polymer.

    Science.gov (United States)

    Sweeney, J; Bonner, M; Ward, I M

    2014-09-01

    A multi-element constitutive model for a lactide-based shape memory polymer has been developed that represents loading to large tensile deformations, stress relaxation and stress recovery at 60, 65 and 70°C. The model consists of parallel Maxwell arms each comprising neo-Hookean and Eyring elements. Guiu-Pratt analysis of the stress relaxation curves yields Eyring parameters. When these parameters are used to define the Eyring process in a single Maxwell arm, the resulting model yields at too low a stress, but gives good predictions for longer times. Stress dip tests show a very stiff response on unloading by a small strain decrement. This would create an unrealistically high stress on loading to large strain if it were modelled by an elastic element. Instead it is modelled by an Eyring process operating via a flow rule that introduces strain hardening after yield. When this process is incorporated into a second parallel Maxwell arm, there results a model that fully represents both stress relaxation and stress dip tests at 60°C. At higher temperatures a third arm is required for valid predictions. Crown Copyright © 2014. Published by Elsevier Ltd. All rights reserved.

  8. Analysis of x-ray reflectivity data from low-contrast polymer bilayer systems using a Fourier method

    International Nuclear Information System (INIS)

    Seeck, O. H.; Kaendler, I. D.; Tolan, M.; Shin, K.; Rafailovich, M. H.; Sokolov, J.; Kolb, R.

    2000-01-01

    X-ray reflectivity data of polymer bilayer systems have been analyzed using a Fourier method which takes into account different limits of integration in q-space. It is demonstrated that the interfacial parameters can be determined with high accuracy although the difference in the electron density (the contrast) of the two polymers is extremely small. This method is not restricted to soft-matter thin films. It can be applied to any reflectivity data from low-contrast layer systems. (c) 2000 American Institute of Physics

  9. Combining first-principles and data modeling for the accurate prediction of the refractive index of organic polymers

    Science.gov (United States)

    Afzal, Mohammad Atif Faiz; Cheng, Chong; Hachmann, Johannes

    2018-06-01

    Organic materials with a high index of refraction (RI) are attracting considerable interest due to their potential application in optic and optoelectronic devices. However, most of these applications require an RI value of 1.7 or larger, while typical carbon-based polymers only exhibit values in the range of 1.3-1.5. This paper introduces an efficient computational protocol for the accurate prediction of RI values in polymers to facilitate in silico studies that can guide the discovery and design of next-generation high-RI materials. Our protocol is based on the Lorentz-Lorenz equation and is parametrized by the polarizability and number density values of a given candidate compound. In the proposed scheme, we compute the former using first-principles electronic structure theory and the latter using an approximation based on van der Waals volumes. The critical parameter in the number density approximation is the packing fraction of the bulk polymer, for which we have devised a machine learning model. We demonstrate the performance of the proposed RI protocol by testing its predictions against the experimentally known RI values of 112 optical polymers. Our approach to combine first-principles and data modeling emerges as both a successful and a highly economical path to determining the RI values for a wide range of organic polymers.

  10. Rapid and effective decontamination of chlorophenol-contaminated soil by sorption into commercial polymers: concept demonstration and process modeling.

    Science.gov (United States)

    Tomei, M Concetta; Mosca Angelucci, Domenica; Ademollo, Nicoletta; Daugulis, Andrew J

    2015-03-01

    Solid phase extraction performed with commercial polymer beads to treat soil contaminated by chlorophenols (4-chlorophenol, 2,4-dichlorophenol and pentachlorophenol) as single compounds and in a mixture has been investigated in this study. Soil-water-polymer partition tests were conducted to determine the relative affinities of single compounds in soil-water and polymer-water pairs. Subsequent soil extraction tests were performed with Hytrel 8206, the polymer showing the highest affinity for the tested chlorophenols. Factors that were examined were polymer type, moisture content, and contamination level. Increased moisture content (up to 100%) improved the extraction efficiency for all three compounds. Extraction tests at this upper level of moisture content showed removal efficiencies ≥70% for all the compounds and their ternary mixture, for 24 h of contact time, which is in contrast to the weeks and months, normally required for conventional ex situ remediation processes. A dynamic model characterizing the rate and extent of decontamination was also formulated, calibrated and validated with the experimental data. The proposed model, based on the simplified approach of "lumped parameters" for the mass transfer coefficients, provided very good predictions of the experimental data for the absorptive removal of contaminants from soil at different individual solute levels. Parameters evaluated from calibration by fitting of single compound data, have been successfully applied to predict mixture data, with differences between experimental and predicted data in all cases being ≤3%. Copyright © 2014 Elsevier Ltd. All rights reserved.

  11. Initial Drug Dissolution from Amorphous Solid Dispersions Controlled by Polymer Dissolution and Drug-Polymer Interaction.

    Science.gov (United States)

    Chen, Yuejie; Wang, Shujing; Wang, Shan; Liu, Chengyu; Su, Ching; Hageman, Michael; Hussain, Munir; Haskell, Roy; Stefanski, Kevin; Qian, Feng

    2016-10-01

    To identify the key formulation factors controlling the initial drug and polymer dissolution rates from an amorphous solid dispersion (ASD). Ketoconazole (KTZ) ASDs using PVP, PVP-VA, HMPC, or HPMC-AS as polymeric matrix were prepared. For each drug-polymer system, two types of formulations with the same composition were prepared: 1. Spray dried dispersion (SDD) that is homogenous at molecular level, 2. Physical blend of SDD (80% drug loading) and pure polymer (SDD-PB) that is homogenous only at powder level. Flory-Huggins interaction parameters (χ) between KTZ and the four polymers were obtained by Flory-Huggins model fitting. Solution (13)C NMR and FT-IR were conducted to investigate the specific drug-polymer interaction in the solution and solid state, respectively. Intrinsic dissolution of both the drug and the polymer from ASDs were studied using a Higuchi style intrinsic dissolution apparatus. PXRD and confocal Raman microscopy were used to confirm the absence of drug crystallinity on the tablet surface before and after dissolution study. In solid state, KTZ is completely miscible with PVP, PVP-VA, or HPMC-AS, demonstrated by the negative χ values of -0.36, -0.46, -1.68, respectively; while is poorly miscible with HPMC shown by a positive χ value of 0.23. According to solution (13)C NMR and FT-IR studies, KTZ interacts with HPMC-AS strongly through H-bonding and dipole induced interaction; with PVPs and PVP-VA moderately through dipole-induced interactions; and with HPMC weakly without detectable attractive interaction. Furthermore, the "apparent" strength of drug-polymer interaction, measured by the extent of peak shift on NMR or FT-IR spectra, increases with the increasing number of interacting drug-polymer pairs. For ASDs with the presence of considerable drug-polymer interactions, such as KTZ/PVPs, KTZ/PVP-VA, or KTZ /HPMC-AS systems, drug released at the same rate as the polymer when intimate drug-polymer mixing was ensured (i.e., the SDD systems

  12. ELECTROMECHANICAL TRANSIENT PROCESSES DURING SUPPLY VOLTAGE CHANGING IN THE SYSTEM OF POLYMER INSULATION COVERING OF THE CURRENT-CARRYING CORE OF ULTRA HIGH VOLTAGE CABLES

    Directory of Open Access Journals (Sweden)

    V. M. Zolotaryov

    2018-04-01

    Full Text Available Aim. The article is devoted to the analysis of the electromechanical transient processes in a system of three frequency-controlled electric drives based on asynchronous motors that control current-carrying core motion, as well as to the study of the effect of such processes on the modes applying three-layer polymer insulation to the current-carrying core. Technique. The study was conducted based on the concepts of electromechanics, electromagnetic field theory, mathematical physics, mathematical modeling. Results. A mathematical model has been developed to analyze transients in an electromechanical system consisting of three frequency-controlled electric drives providing current-carrying core motion of ultra-high voltage cables in an inclined extrusion line. The coordination of the electromechanical parameters of the system drives has been carried out and the permissible changes in the supply voltage at the limiting mass while moving current-carrying core of ultra-high voltage cables with applied polymer insulation have been estimated. Scientific novelty. For the first time it is determined that with the limiting mass of the current-carrying core, the electromechanical system allows to stabilize the current-carrying core speed with the required accuracy at short-term decreases in the supply voltage by no more than 27 % of its amplitude value. It is also shown that this system is resistant to short-term increases in voltage by 32 % for 0.2 s. Practical significance. Using the developed model, it is possible to calculate the change in the configuration and speed of the slack current-carrying core when applying polymer insulation, depending on the specific mass of the current-carrying core per unit length, its tension at the bottom, the torque of the traction motor and the supply voltage to achieve stable operation of the system and accurate working of the set parameters.

  13. Physical characterization and in silico modeling of inulin polymer conformation during vaccine adjuvant particle formation.

    Science.gov (United States)

    Barclay, Thomas G; Rajapaksha, Harinda; Thilagam, Alagu; Qian, Gujie; Ginic-Markovic, Milena; Cooper, Peter D; Gerson, Andrea; Petrovsky, Nikolai

    2016-06-05

    This study combined physical data from synchrotron SAXS, FTIR and microscopy with in-silico molecular structure predictions and mathematical modeling to examine inulin adjuvant particle formation and structure. The results show that inulin polymer chains adopt swollen random coil in solution. As precipitation occurs from solution, interactions between the glucose end group of one chain and a fructose group of an adjacent chain help drive organized assembly, initially forming inulin ribbons with helical organization of the chains orthogonal to the long-axis of the ribbon. Subsequent aggregation of the ribbons results in the layered semicrystalline particles previously shown to act as potent vaccine adjuvants. γ-Inulin adjuvant particles consist of crystalline layers 8.5 nm thick comprising helically organized inulin chains orthogonal to the plane of the layer. These crystalline layers alternate with amorphous layers 2.4 nm thick, to give overall particle crystallinity of 78%. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Imaging the Dynamics of Cell Wall Polymer Deposition in the Unicellular Model Plant, Penium margaritaceum.

    Science.gov (United States)

    Domozych, David; Lietz, Anna; Patten, Molly; Singer, Emily; Tinaz, Berke; Raimundo, Sandra C

    2017-01-01

    The unicellular green alga, Penium margaritaceum, represents a novel and valuable model organism for elucidating cell wall dynamics in plants. This organism's cell wall contains several polymers that are highly similar to those found in the primary cell walls of land plants. Penium is easily grown in laboratory culture and is effectively manipulated in various experimental protocols including microplate assays and correlative microscopy. Most importantly, Penium can be live labeled with cell wall-specific antibodies or other probes and returned to culture where specific cell wall developmental events can be monitored. Additionally, live cells can be rapidly cryo-fixed and cell wall surface microarchitecture can be observed with variable pressure scanning electron microscopy. Here, we describe the methodology for maintaining Penium for experimental cell wall enzyme studies.

  15. Electro-thermal modelling of polymer lithium batteries for starting period and pulse power

    Energy Technology Data Exchange (ETDEWEB)

    Baudry, P. [Electricite de France DER, Site des Renardieres, Moret-sur-Loing (France); Neri, M. [Electricite de France DER, Site des Renardieres, Moret-sur-Loing (France); Gueguen, M. [Bollore Technologies, Odet, 29 Quimper (France); Lonchampt, G. [CEA/CEREM, CENG-85X, 38 Grenoble (France)

    1995-04-01

    Since power capabilities of solid polymer lithium batteries can only be delivered above 60 C, the thermal management in electric-vehicle applications has to be carefully considered. Electro-thermal modelling of a thermally insulated 200 kg battery was performed, and electrochemical data were obtained from laboratory cell impedance measurements at 20 and 80 C. Starting at 20 C as initial working temperature, the battery reaches 40 C after 150 s of discharge in a 0.5 {Omega} resistance. At 40 C, the useful peak power is 20 kW. The energy expense for heating the battery from 20 to 40 C is 1.4 kWh, corresponding to 6% of the energy available in the battery. After a stand-by period of 24 h, the temperature decreases from 80 to 50 C, allowing efficient starting conditions. (orig.)

  16. Developing a Macroscopic Mechanistic Model for Low Molecular Weight Diffusion through Polymers in the Rubbery State

    DEFF Research Database (Denmark)

    Martinez-Lopez, Brais; Huguet, P.; Gontard, N.

    2016-01-01

    Raman microspectroscopy was used to determine the Fickian diffusivity of two families of low molecular weight molecules through amorphous polystyrene in the rubbery state. Different effects of the temperature on diffusivity for each of the families suggested that molecular mobility is controlled...... by both the volume and flexibility of the diffusing substance when the movement of polymer chains can generate stress induced deformation of molecules. The diffusing molecules were represented as Newtonian spring–bead systems, which allowed us to quantify their flexibility, in function of the vibration...... frequency of their bonds by reconstructing their theoretical spectra. Results showed that the use of molecular descriptors that take into account flexibility rather than the most stable conformation of the diffusing molecules may improve the description of the diffusion behavior caused by variations...

  17. [Matrix transdermal systems for caffeine delivery based on polymer and emulsion compounds].

    Science.gov (United States)

    Kuznetsova, E G; Kuryleva, O M; Salomatina, L A; Sevast'ianov, V I

    2008-01-01

    The goal of this work was to develop and test transdermal therapeutic systems for caffeine delivery. In vitro experiments showed that the rate of caffeine diffusion through untreated rabbit skin from a transdermal therapeutic systems based on polymer compound containing 50 mg medicine was 67.2 (9.1 microg/cm2h; for a system based on emulsion compound it was 173 (19 microg/cm2h. Methods for studying the caffeine release rate and quantitative measurement of caffeine content in the emulsion-based transdermal therapeutic system were developed. These methods are required to obtain data for standard drug documentation. The results of in vivo experiments in rabbits showed the absence of irritating effect of the emulsion-based transdermal therapeutic system. The obtained data on the specific efficiency of the transdermal therapeutic systems for caffeine delivery (50 mg) in healthy volunteers showed that this medicine could be used as a nonnarcotic psychoactivator for improving mental and physical activities and attention concentration.

  18. Computing the non-Markovian coarse-grained interactions derived from the Mori-Zwanzig formalism in molecular systems: Application to polymer melts

    Science.gov (United States)

    Li, Zhen; Lee, Hee Sun; Darve, Eric; Karniadakis, George Em

    2017-01-01

    Memory effects are often introduced during coarse-graining of a complex dynamical system. In particular, a generalized Langevin equation (GLE) for the coarse-grained (CG) system arises in the context of Mori-Zwanzig formalism. Upon a pairwise decomposition, GLE can be reformulated into its pairwise version, i.e., non-Markovian dissipative particle dynamics (DPD). GLE models the dynamics of a single coarse particle, while DPD considers the dynamics of many interacting CG particles, with both CG systems governed by non-Markovian interactions. We compare two different methods for the practical implementation of the non-Markovian interactions in GLE and DPD systems. More specifically, a direct evaluation of the non-Markovian (NM) terms is performed in LE-NM and DPD-NM models, which requires the storage of historical information that significantly increases computational complexity. Alternatively, we use a few auxiliary variables in LE-AUX and DPD-AUX models to replace the non-Markovian dynamics with a Markovian dynamics in a higher dimensional space, leading to a much reduced memory footprint and computational cost. In our numerical benchmarks, the GLE and non-Markovian DPD models are constructed from molecular dynamics (MD) simulations of star-polymer melts. Results show that a Markovian dynamics with auxiliary variables successfully generates equivalent non-Markovian dynamics consistent with the reference MD system, while maintaining a tractable computational cost. Also, transient subdiffusion of the star-polymers observed in the MD system can be reproduced by the coarse-grained models. The non-interacting particle models, LE-NM/AUX, are computationally much cheaper than the interacting particle models, DPD-NM/AUX. However, the pairwise models with momentum conservation are more appropriate for correctly reproducing the long-time hydrodynamics characterised by an algebraic decay in the velocity autocorrelation function.

  19. On Modelling an Immune System

    OpenAIRE

    Monroy, Raúl; Saab, Rosa; Godínez, Fernando

    2004-01-01

    Immune systems of live forms have been an abundant source of inspiration to contemporary computer scientists. Problem solving strategies, stemming from known immune system phenomena, have been successfully applied to challenging problems of modern computing. However, research in artificial immune systems has overlooked establishing a coherent model of known immune system behaviour. This paper aims reports on an preliminary computer model of an immune system, where each immune system component...

  20. Static and dynamic filtrations of different clay, electrolytes, polymer systems; Filtrations statiques et dynamiques de differents systemes argile, electrolytes, polymere

    Energy Technology Data Exchange (ETDEWEB)

    Li, Y

    1996-04-16

    Filtration properties of model drilling fluids composed of water, clays, electrolytes and water soluble polymers have been studied in static and dynamic conditions on paper filters and rock slices. Filtration experiments combined with cake observations by cryo-S.E.M. and T.E.M., show the influence of the size shape of clay particles as well as their associating mode in suspension, on the texture of the cake, its permeability, and relaxation properties. These parameters depend on the nature of the electrolyte. The polymer reduces the cake permeability by enhancing the dispersion of the clay within the suspension, but mainly by plugging the porous network due its auto aggregation properties. The cake construction in dynamic conditions, is related to the state of aggregation of the initial suspension, its poly-dispersity, its sensitivity to shear rates, and also, to the permeability of the cake built at the beginning of the filtration. In all cases, the rate of thickening of the cake is slower and larger filtrate volumes are obtained compared to the static conditions. Shear rate has two effects: first, to dissociate the weak aggregates in suspension, second, to impose a size selection of the particles in the case of a poly-dispersed suspension. At high shear rates, a cake of constant thin thickness is quickly obtained. The thickness of this limiting cake depends on the fraction of small particles present in suspension, or that can be formed by dissociation of weak aggregates under shear rate. The permeability of this limiting cake formed in dynamic conditions is, as in static conditions, controlled by the size and the shape of the particles that form the cake or by the presence of a build loss reducer water soluble polymer. Filtrations carried out on Fontainebleau sandstones allow to visualize the internal cake and to precise the risks of formation damage by the drilling fluid. (author) 127 refs.

  1. Polymer substrates for flexible photovoltaic cells application in personal electronic system

    Science.gov (United States)

    Znajdek, K.; Sibiński, M.; Strąkowska, A.; Lisik, Z.

    2016-01-01

    The article presents an overview of polymeric materials for flexible substrates in photovoltaic (PV) structures that could be used as power supply in the personal electronic systems. Four types of polymers have been elected for testing. The first two are the most specialized and heat resistant polyimide films. The third material is transparent polyethylene terephthalate film from the group of polyesters which was proposed as a cheap and commercially available substrate for the technology of photovoltaic cells in a superstrate configuration. The last selected polymeric material is a polysiloxane, which meets the criteria of high elasticity, is temperature resistant and it is also characterized by relatively high transparency in the visible light range. For the most promising of these materials additional studies were performed in order to select those of them which represent the best optical, mechanical and temperature parameters according to their usage for flexible substrates in solar cells.

  2. A roll-to-roll process to flexible polymer solar cells: model studies, manufacture and operational stability studies

    DEFF Research Database (Denmark)

    Krebs, Frederik C; Gevorgyan, Suren; Alstrup, Jan

    2009-01-01

    An inverted polymer solar cell geometry comprising a total of five layers was optimized using laboratory scale cells and the operational stability was studied under model atmospheres. The device geometry was substrate-ITO-ZnO-(active layer)-PEDOT:PSS-silver with P3HT-PCBM as the active layer. The...

  3. Characterizing and modeling the free recovery and constrained recovery behavior of a polyurethane shape memory polymer

    International Nuclear Information System (INIS)

    Volk, Brent L; Lagoudas, Dimitris C; Maitland, Duncan J

    2011-01-01

    In this work, tensile tests and one-dimensional constitutive modeling were performed on a high recovery force polyurethane shape memory polymer that is being considered for biomedical applications. The tensile tests investigated the free recovery (zero load) response as well as the constrained displacement recovery (stress recovery) response at extension values up to 25%, and two consecutive cycles were performed during each test. The material was observed to recover 100% of the applied deformation when heated at zero load in the second thermomechanical cycle, and a stress recovery of 1.5–4.2 MPa was observed for the constrained displacement recovery experiments. After the experiments were performed, the Chen and Lagoudas model was used to simulate and predict the experimental results. The material properties used in the constitutive model—namely the coefficients of thermal expansion, shear moduli, and frozen volume fraction—were calibrated from a single 10% extension free recovery experiment. The model was then used to predict the material response for the remaining free recovery and constrained displacement recovery experiments. The model predictions match well with the experimental data

  4. Dynamics of particle chain formation in a liquid polymer under ac electric field: modeling and experiments

    International Nuclear Information System (INIS)

    Belijar, G; Valdez-Nava, Z; Diaham, S; Laudebat, L; Lebey, T; Jones, T B

    2017-01-01

    Polymer/ceramic composite materials are of great interest for their many potential applications because of their ability to combine at least two properties of the constitutive elements: particles and matrix. In most cases, such enhanced properties are required only in one direction. Orthotropic materials can be elaborated by applying an ac electric field to form particle chain structures in the direction of the electric field due to the dielectrophoretic interactions affecting the particles. However, there is still a lack in the understanding of the impact of the structures on the properties of the material. The aim of this study is to propose a predictive model for the evolution of the permittivity during the chain formation, by including micro- and macroscopic phenomena. The chaining model is based on dipole–dipole interactions and the dielectric permittivity is computed through a finite element method. In parallel, an experimental study is performed with online permittivity measurements of composites during chaining. The developed model is able to predict the experimental results from 1 vol% while taking into account parameters such as the resin viscosity and permittivity and the transient evolution of the applied electric field. The formation of particle chains inside a material has applications in many domains such as electrorheological fluids, anisotropic composites, self-recovery materials etc. Such a developed model is a valuable tool for the tailoring of materials. (paper)

  5. Model polymer etching and surface modification by a time modulated RF plasma jet: role of atomic oxygen and water vapor

    International Nuclear Information System (INIS)

    Luan, P; Knoll, A J; Wang, H; Oehrlein, G S; Kondeti, V S S K; Bruggeman, P J

    2017-01-01

    The surface interaction of a well-characterized time modulated radio frequency (RF) plasma jet with polystyrene, poly(methyl methacrylate) and poly(vinyl alcohol) as model polymers is investigated. The RF plasma jet shows fast polymer etching but mild chemical modification with a characteristic carbonate ester and NO formation on the etched surface. By varying the plasma treatment conditions including feed gas composition, environment gaseous composition, and treatment distance, we find that short lived species, especially atomic O for Ar/1% O 2 and 1% air plasma and OH for Ar/1% H 2 O plasma, play an essential role for polymer etching. For O 2 containing plasma, we find that atomic O initiates polymer etching and the etching depth mirrors the measured decay of O atoms in the gas phase as the nozzle-surface distance increases. The etching reaction probability of an O atom ranging from 10 −4 to 10 −3 is consistent with low pressure plasma research. We also find that adding O 2 and H 2 O simultaneously into Ar feed gas quenches polymer etching compared to adding them separately which suggests the reduction of O and OH density in Ar/O 2 /H 2 O plasma. (letter)

  6. Model polymer etching and surface modification by a time modulated RF plasma jet: role of atomic oxygen and water vapor

    Science.gov (United States)

    Luan, P.; Knoll, A. J.; Wang, H.; Kondeti, V. S. S. K.; Bruggeman, P. J.; Oehrlein, G. S.

    2017-01-01

    The surface interaction of a well-characterized time modulated radio frequency (RF) plasma jet with polystyrene, poly(methyl methacrylate) and poly(vinyl alcohol) as model polymers is investigated. The RF plasma jet shows fast polymer etching but mild chemical modification with a characteristic carbonate ester and NO formation on the etched surface. By varying the plasma treatment conditions including feed gas composition, environment gaseous composition, and treatment distance, we find that short lived species, especially atomic O for Ar/1% O2 and 1% air plasma and OH for Ar/1% H2O plasma, play an essential role for polymer etching. For O2 containing plasma, we find that atomic O initiates polymer etching and the etching depth mirrors the measured decay of O atoms in the gas phase as the nozzle-surface distance increases. The etching reaction probability of an O atom ranging from 10-4 to 10-3 is consistent with low pressure plasma research. We also find that adding O2 and H2O simultaneously into Ar feed gas quenches polymer etching compared to adding them separately which suggests the reduction of O and OH density in Ar/O2/H2O plasma.

  7. Advanced polymer PV system: PVMaT 4A1 annual report, September 1995--September 1996

    Energy Technology Data Exchange (ETDEWEB)

    Hanoka, J; Chleboski, R; Farber, M; Fava, J; Kane, P; Martz, J [Evergreen Solar, Inc., Waltham, MA (United States)

    1997-06-01

    Purpose of this subcontract was to produce lower module and systems costs through the innovative use of polymeric materials. The Innovative Mounting System (IMS) was developed and testing begun during the first year of this contract. IMS reduces the cost of installed PV systems by reducing labor and materials costs both in the factory and in field installation. It incorporates several advances in polymers, processing methods and product design. An advanced backskin material permits elimination of the conventional Al perimeter frame by protecting and sealing the edge and by direct bonding of multifunctional mounting bars. Electrical interconnection is easier and more reliable with a new junction box. Feasibility of a non-vacuum, high-throughput lamination method was also demonstrated, involving a novel transparent encapsulant with UV stabilization package that can be laminated in air and which should lead to longer field life than conventional designs. The first-year program culminated in the fielding of prototype products with the new encapsulant, backskin, junction box, frameless edge seal, and IMS. Feedback and marketing information from potential customers were solicited. Result promises a $0.50/watt manufacturing and system cost reductions as well as increased system lifetime. The second year will complete refinement and test of the encapsulant and backskin, complete the new lamination method, and refine product designs.

  8. Pembangunan Model Restaurant Management System

    OpenAIRE

    Fredy Jingga; Natalia Limantara

    2014-01-01

    Model design for Restaurant Management System aims to help in restaurant business process, where Restaurant Management System (RMS) help the waitress and chef could interact each other without paper limitation.  This Restaurant Management System Model develop using Agile Methodology and developed based on PHP Programming Langguage. The database management system is using MySQL. This web-based application model will enable the waitress and the chef to interact in realtime, from the time they a...

  9. Polymer dynamics from synthetic polymers to proteins

    Indian Academy of Sciences (India)

    Abstract. Starting from the standard model of polymer motion – the Rouse model – .... reptation and the escape processes (creep motion) from the tube. .... scattering curves from an arrangement of small mesoscopic spheres also allows a.

  10. Modelling of wastewater systems

    DEFF Research Database (Denmark)

    Bechmann, Henrik

    to analyze and quantify the effect of the Aeration Tank Settling (ATS) operating mode, which is used during rain events. Furthermore, the model is used to propose a control algorithm for the phase lengths during ATS operation. The models are mainly formulated as state space model in continuous time......In this thesis, models of pollution fluxes in the inlet to 2 Danish wastewater treatment plants (WWTPs) as well as of suspended solids (SS) concentrations in the aeration tanks of an alternating WWTP and in the effluent from the aeration tanks are developed. The latter model is furthermore used...... at modelling the fluxes in terms of the multiple correlation coefficient R2. The model of the SS concentrations in the aeration tanks of an alternating WWTP as well as in the effluent from the aeration tanks is a mass balance model based on measurements of SS in one aeration tank and in the common outlet...

  11. Biostable glucose permeable polymer

    DEFF Research Database (Denmark)

    2017-01-01

    A new biostable glucose permeable polymer has been developed which is useful, for example, in implantable glucose sensors. This biostable glucose permeable polymer has a number of advantageous characteristics and, for example, does not undergo hydrolytic cleavage and degradation, thereby providing...... a composition that facilitates long term sensor stability in vivo. The versatile characteristics of this polymer allow it to be used in a variety of contexts, for example to form the body of an implantable glucose sensor. The invention includes the polymer composition, sensor systems formed from this polymer...

  12. Double stimuli-responsive polymer systems: How to use crosstalk between pH- and thermosensitivity for drug depots

    Czech Academy of Sciences Publication Activity Database

    Bogomolova, Anna; Kaberov, Leonid; Sedláček, Ondřej; Filippov, Sergey K.; Štěpánek, Petr; Král, V.; Wang, X. Y.; Liu, S. L.; Ye, X. D.; Hrubý, Martin

    2016-01-01

    Roč. 84, November (2016), s. 54-64 ISSN 0014-3057 R&D Projects: GA MŠk(CZ) LH14292; GA ČR(CZ) GC15-10527J Institutional support: RVO:61389013 Keywords : drug depot formulation * double responsive system * pH-responsive polymer Subject RIV: CC - Organic Chemistry Impact factor: 3.531, year: 2016

  13. Vapour–Liquid Equilibria in the Polymer + Solvent System Containing Lower Concentrations of Solute at Normal or Reduced Pressures

    Czech Academy of Sciences Publication Activity Database

    Pavlíček, Jan; Bogdanić, Grozdana; Wichterle, Ivan

    2013-01-01

    Roč. 358, 25 NOV (2013), s. 301-303 ISSN 0378-3812 Institutional support: RVO:67985858 Keywords : vapour–liquid equilibrium * experimental data * polymer-solvent system Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.241, year: 2013

  14. In vivo tissue response and durability of five novel synthetic polymers in a rabbit model.

    Science.gov (United States)

    Sahin, E; Cingi, C; Eskiizmir, G; Altintoprak, N; Calli, A; Calli, C; Yilgör, I; Yilgör, E

    2016-04-01

    Alloplastic materials are frequently used in facial plastic surgeries such as rhinoplasty and nasal reconstruction. Unfortunately, the ideal alloplastic material has not been found. This experimental study evaluates the tissue response and durability of five novel polymers developed as an alloplastic material. In this experimental study involving a tertiary university hospital, six subcuticular pockets were formed at the back of 10 rabbits for the implantation of each polymer and sham group. Each pocket was excised with its adjacent tissue after three months, and collected for histopathological examination. Semi-quantitative examination including neovascularisation, inflammation, fibrosis, abscess formation, multinucleated foreign body giant cells was performed, and integrity of polymer was evaluated. A statistical comparison was performed. No statically significant difference was detected in neovascularisation, inflammation, fibrosis, abscess formation and multinucleated foreign body giant cells when a paired comparison between sham and polymer II, III and IV groups was performed individually. Nevertheless, the degree of fibrosis was less than sham group in polymer I (p = .027) and V (p = .018), although the other variables were almost similar. The integrity of polymers III (9 intact, 1 fragmented) and IV (8 intact, 2 absent) was better than the other polymers. These novel synthetic polymers could be considered as good candidates for clinical applicability. All polymers provided satisfactory results in terms of tissue response; however, fibrovascular integration was higher in polymers II, III and IV. In addition, the durability of polymer III and IV was better than the others. © Copyright by Società Italiana di Otorinolaringologia e Chirurgia Cervico-Facciale, Rome, Italy.

  15. Modeling and estimating system availability

    International Nuclear Information System (INIS)

    Gaver, D.P.; Chu, B.B.

    1976-11-01

    Mathematical models to infer the availability of various types of more or less complicated systems are described. The analyses presented are probabilistic in nature and consist of three parts: a presentation of various analytic models for availability; a means of deriving approximate probability limits on system availability; and a means of statistical inference of system availability from sparse data, using a jackknife procedure. Various low-order redundant systems are used as examples, but extension to more complex systems is not difficult

  16. A procedure for calibration and validation of FE modelling of laser-assisted metal to polymer direct joining

    Science.gov (United States)

    Lambiase, F.; Genna, S.; Kant, R.

    2018-01-01

    The quality of the joints produced by means of Laser-Assisted Metal to Polymer direct joining (LAMP) is strongly influenced by the temperature field produced during the laser treatment. The main phenomena including the adhesion of the plastic to the metal sheet and the development of bubbles (on the plastic surface) depend on the temperature reached by the polymer at the interface. Such a temperature should be higher than the softening temperature, but lower than the degradation temperature of the polymer. However, the temperature distribution is difficult to be measured by experimental tests since the most polymers (which are transparent to the laser radiation) are often opaque to the infrared wavelength. Thus, infrared analysis involving pyrometers and infrared camera is not suitable for this purpose. On the other hand, thermocouples are difficult to be placed at the interface without influencing the temperature conditions. In this paper, an integrated approach involving both experimental measurements and a Finite Element (FE) model were used to perform such an analysis. LAMP of Polycarbonate and AISI304 stainless steel was performed by means of high power diode laser and the main process parameters i.e. laser power and scanning speed were varied. Comparing the experimental measurements and the FE model prediction of the thermal field, a good correspondence was achieved proving the suitability of the developed model and the proposed calibration procedure to be ready used for process design and optimization.

  17. Effect of temperature and ph on the drug release rate from a polymer conjugate system

    International Nuclear Information System (INIS)

    Kenawy, E.; Abdel-Hay, F.I.; El-Newehy, M.H.; Ottenbrite, R.M.

    2005-01-01

    Hydroximide and A-methylhydroxamic acid of poly(ethylene-altmaleic anhydride) (average MW 100-500 k) were used as a carrier for a new drug delivery system. The synthesis of the hydroximide and N methylhydroxamic acid of poly(ethylene-alt-maleic anhydride) were carried out by chemical modification of poly(ethylene-alt-maleic anhydride) with hydroxylamine and N-methyl hydroxylamine, respectively, in N,N- dimethylformamide at room temperature to yield water soluble copolymer. Ketoprofen was reacted with hydroximide and N-methylhydroxamic acid derivatives of poly(ethylene-alt-maleic anhydride) using dicyclohexylcarbodiimide as condensation agent at -5 degree C to yield water insoluble ketoprofen conjugates. All products were characterized by elemental analysis, FTIR and 1HNMR spectra. The in-vitro ketoprofen release was carried out by UV spectrophotometer at max =260 nm. The results demonstrated the effectiveness of hydroximide and N-methylhydroxamic acid of polyethylene-alt-maleic anhydride) as a drug delivery system. The release rates were studied at various ph and temperatures. The copolymer-drug adducts released the drug very slowly at the low ph found in the stomach thus protecting the drug from the action of high concentrations of digestive acids. These results showed the usefulness of hydroxamic acid polymer-drug conjugates as a new drug delivery system for drugs to be targeted to sites in the GI system

  18. Utilization of methanol for polymer electrolyte fuel cells in mobile systems

    Energy Technology Data Exchange (ETDEWEB)

    Schmidt, V M [Research Centre Juelich (KFA), Inst. of Energy Process Engineering (Germany); Broeckerhoff, P [Research Centre Juelich (KFA), Inst. of Energy Process Engineering (Germany); Hoehlein, B [Research Centre Juelich (KFA), Inst. of Energy Process Engineering (Germany); Menzer, R [Research Centre Juelich (KFA), Inst. of Energy Process Engineering (Germany); Stimming, U [Research Centre Juelich (KFA), Inst. of Energy Process Engineering (Germany)

    1994-04-01

    The constantly growing volume of road traffic requires the introduction of new vehicle propulsion systems with higher efficiency and drastically reduced emission rates. As part of the fuel cell programme of the Research Centre Juelich a vehicle propulsion system with methanol as secondary energy carrier and a polymer electrolyte membrane fuel cell (PEMFC) as the main component for energy conversion is developed. The fuel gas is produced by a heterogeneously catalyzed steam reforming reaction in which methanol is converted to H[sub 2], CO and CO[sub 2]. The required energy is provided by the catalytic conversion of methanol for both heating up the system and reforming methanol. The high CO content of the fuel gas requires further processing of the gas or the development of new electrocatalysts for the anode. Various Pt-Ru alloys show promising behaviour as CO-tolerant anodes. The entire fuel cell system is discussed in terms of energy and emission balances. The development of important components is described and experimental results are discussed. (orig.)

  19. Microstructure-based numerical modeling method for effective permittivity of ceramic/polymer composites

    Science.gov (United States)

    Jylhä, Liisi; Honkamo, Johanna; Jantunen, Heli; Sihvola, Ari

    2005-05-01

    Effective permittivity was modeled and measured for composites that consist of up to 35vol% of titanium dioxide powder dispersed in a continuous epoxy matrix. The study demonstrates a method that enables fast and accurate numerical modeling of the effective permittivity values of ceramic/polymer composites. The model requires electrostatic Monte Carlo simulations, where randomly oriented homogeneous prism-shaped inclusions occupy random positions in the background phase. The computation cost of solving the electrostatic problem by a finite-element code is decreased by the use of an averaging method where the same simulated sample is solved three times with orthogonal field directions. This helps to minimize the artificial anisotropy that results from the pseudorandomness inherent in the limited computational domains. All the required parameters for numerical simulations are calculated from the lattice structure of titanium dioxide. The results show a very good agreement between the measured and numerically calculated effective permittivities. When the prisms are approximated by oblate spheroids with the corresponding axial ratio, a fairly good prediction for the effective permittivity of the mixture can be achieved with the use of an advanced analytical mixing formula.

  20. Modeling and optimization for rotary ultrasonic face milling of carbon fiber reinforced polymers

    Directory of Open Access Journals (Sweden)

    Amin Muhammad

    2017-01-01

    Full Text Available Carbon fiber reinforced polymers (CFRP have got paramount importance in aerospace, and other industries due to their attractive properties of high specific strength, high specific stiffness, high corrosion resistance, and low thermal expansion. However, due to their properties like heterogeneity, anisotropy, and low heat dissipation, the issues in machining like excessive cutting forces and high surface roughness have found. In this research, a cutting force model has developed for rotary ultrasonic face milling of CFRP composites. The experimental machining was carried out on CFRP-T700. From the analysis, it has found that experimental and simulation values of cutting forces have variation/ error below than 10% in the most of the groups of parameters. However, the error found higher in few cases, due to heterogeneity, anisotropy and some other properties of these materials. The formula for contact area of the abrasive core tool improved and an overlapping cutting allowance has applied the first time. The optimal combination of parameters has investigated for cutting force and surface roughness. The developed cutting force model then further validated with pilot experiments and found the same results. So, the model developed in this paper is robust and can be applied to predict cutting force and optimization.