High-temperature phase relations and thermodynamics in the iron-lead-sulfur system

NASA Astrophysics Data System (ADS)

Eric, R. Hurman; Ozok, Hakan

1994-01-01

The PbS activities in FeS-PbS liquid mattes were obtained at 1100 °C and 1200 °C by the dew-point method. Negative deviations were observed, and the liquid-matte solutions were modeled by the Krupkowski formalism. The liquid boundaries of the FeS-PbS phase diagram were derived from the model equations yielding a eutectic temperature of 842 °C at X Pbs = 0.46. A phase diagram of the pseudobinary FeS-PbS was also verified experimentally by quenching samples equilibrated in evacuated and sealed silica capsules. No terminal solid solution ranges could be found. Within the Fe-Pb-S ternary system, the boundaries of the immiscibility region together with the tie-line distributions were established at 1200 °C. Activities of Pb were measured by the dew-point technique along the metal-rich boundary of the miscibility gap. Activities of Fe, Pb, and S, along the miscibility gap were also calculated by utilizing the bounding binary thermodynamics, phase equilibria, and tie-lines.

Wetting phenomenon in the liquid-vapor phase coexistence of a partially miscible Lennard-Jones binary mixture

NASA Astrophysics Data System (ADS)

Ramírez-Santiago, Guillermo; Díaz-Herrera, Enrique; Moreno Razo, José A.

2004-03-01

We have carried out extensive equilibrium MD simulations to study wetting phenomena in the liquid-vapor phase coexistence of a partially miscible binary LJ mixture. We find that in the temperature range 0.60 ≤ T^* < 0.80, the system separates forming a liquid A-liquid B interface in coexistence with the vapor phase. At higher temperatures, 0.80 ≤ T^* < 1.25 the liquid phases are wet by the vapor phase. By studying the behavior of the surface tension as a function of temperature we estimate the wetting transition temperature (WTT) to be T^*_w≃ 0.80. The adsorption of molecules at the liquid-liquid interface shows a discontinuity at about T^*≃ 0.79 suggesting that the wetting transition is a first order phase transition. These results are in agreement with some experiments carried out in fluid binary mixtures. In addition, we estimated the consolute temperature to be T^* _cons≃ 1.25. The calculated phase diagram of the mixture suggest the existence of a tricritical point.

Miscibility Studies on Polymer Blends Modified with Phytochemicals

NASA Astrophysics Data System (ADS)

Chandrasekaran, Neelakandan; Kyu, Thein

2009-03-01

The miscibility studies related to an amorphous poly(amide)/poly(vinyl pyrrolidone) [PA/PVP] blend with a crystalline phytochemical called ``Mangiferin'' is presented. Phytochemicals are plant derived chemicals which intrinsically possess multiple salubrious properties that are associated with prevention of diseases such as cancer, diabetes, cardiovascular disease, and hypertension. Incorporation of phytochemicals into polymers has shown to have very promising applications in wound healing, drug delivery, etc. The morphology of these materials is crucial to applications like hemodialysis, which is governed by thermodynamics and kinetics of the phase separation process. Hence, miscibility studies of PA/PVP blends with and without mangiferin have been carried out using dimethyl sulfoxide as a common solvent. Differential scanning calorimetry studies revealed that the binary PA/PVP blends were completely miscible at all compositions. However, the addition of mangiferin has led to liquid-liquid phase separation and liquid-solid phase transition in a composition dependent manner. Fourier transformed infrared spectroscopy was undertaken to determine specific interaction between the polymer constituents and the role of possible hydrogen bonding among three constituents will be discussed.

An investigation of the thermodynamic miscibility between VeTPGS and polymers.

PubMed

Li, Jinjiang; Chiappetta, Doris

2008-02-28

Within the past decade, more than half of the drug candidates generated are poorly water soluble and therefore overcoming the low aqueous solubility of drug candidates becomes critical for product development. Vitamin E TPGS (VeTPGS), a non-ionic surfactant, has been used in both liquid and solid dosage forms to solubilize compounds and improve their bioavailability. To prepare solid dosage forms using VeTPGS, VeTPGS is often mixed with other excipients, mostly polymers. However, there is still a lack of understanding of miscibility between VeTPGS and polymers from a thermodynamic point of view. In this paper, the miscibility of VeTPGS with polymers has been studied in the light of the Flory-Huggins (F-H) theory with an objective to understand the effect of dispersion forces (solubility parameter) and nondispersive interactions on the miscibility between VeTPGS and polymers. A series of polymers with similar solubility parameters and structure similarity were selected. Binary blends of polymers and VeTPGS were prepared using a vapor evaporation technique followed by XRPD, DSC, and SEM characterization. Results suggest that the miscibility between VeTPGS and PMMA is very likely due to a specific interaction between the hydrophobic portion of VeTPGS (Vitamin E) and PMMA.

Atomistic modeling of the solid-state chemistry of actinide materials

NASA Astrophysics Data System (ADS)

Shuller, Lindsay C.

Materials that incorporate actinides are critical to the nuclear fuel cycle, either as nuclear fuels or nuclear waste forms. In this thesis, I examine four materials: i) ThO2-UO2 solid solutions, ii) binary ThO2-CeO2-ZrO2 solid solutions, iii) Np-doped studtite, iv) Np-doped boltwoodite. Computational methods, particularly density functional theory (DFT) calculations and Monte-Carlo (MC) simulations, are used to determine the energetics and structures of these actinide-bearing materials. The solid-solution behavior of nuclear fuels and nuclear waste forms indicate the thermodynamic stability of the material, which is important for understanding the in-reactor fuel properties and long-term stability of used fuel. The ThxU1-xO2 and ThxCe 1-xO2 binaries are almost completely miscible; however, DeltaGmix reveals a small tendency for the systems to exsolve (e.g., DeltaEexsoln(Th xU1-xO2) = 0.13 kJ/(mol cations) at 750 K). Kinetic hindrances (e.g., interfacial energy) may inhibit exsolution, especially at the low temperatures necessary to stabilize the nanoscale exsolution lamellae observed in the ThxU1-xO2 and Ce xZr1-xO2 binaries. Miscibility in the Zr-bearing binaries is limited. At 1400 °C, only 3.6 and 0.09 mol% ZrO2 is miscible in CeO2 and ThO2, respectively. The incorporation of minor amounts of Np5+,6+ into uranium alteration phases, e.g., studtite [UO2O2 (H2O)4] or boltwoodite [K(UO2)(SiO 3OH)(H2O)1.5] , may limit the mobility of aqueous neptunyl complexes released from oxidized nuclear fuels. Np6+-incorporation into studtite requires less energy than Np5+-incorporation (e.g., with source/sink = Np2O5/UO 3 DeltaEincorp(Np6+) = 0.42 eV and DeltaEincorp(Np5+) = 1.12 eV). In addition, Np6+ is completely miscible in studtite at room temperature with respect to a hypothetical Np6+-studtite. Electronic structure calculations provide insight into Np-bonding in studtite. The Np 5f orbitals are within the band gap of studtite, resulting in the narrowing of the band gap from 2.29 eV for studtite to 1.09 eV for Np-incorporated studtite. Three charge-balancing mechanisms for the substitution of Np5+ for U6+ were compared: i) addition of H+ [DeltaEincorp(bolt) = 0.79 eV; DeltaEincorp(stud) = 1.12 eV], ii) interlayer coupled substitution [DeltaEincorp (bolt) = 1.40 eV], iii) intra-layer coupled-substitution [DeltaEincorp(bolt) = 0.86 eV]. Solid-solution calculations of the intra-layer coupled-substitution mechanism, where Np 5+ and P5+ substitute for U6+ and Si 4+, predict an incorporation limit of 585 ppm at 300 °C.

COSMO-RS analysis on mixing properties obtained for the systems 1-butyl-X-methylpyridinium tetrafluoroborate [X = 2,3,4] and 1,ω-dibromoalkanes [ω = 1-6].

PubMed

Navas, Ana; Ortega, Juan; Palomar, José; Díaz, Carlos; Vreekamp, Remko

2011-05-07

A theoretical-experimental study for a set of 18 binary systems comprised of [bXmpy][BF(4)] (X=2-4) + 1,ω-Br(CH(2))(v)Br (v =ω=1-6) at a temperature of 298.15 K is presented. The solubility curves are determined for each binary system, establishing the intervals of measurement for the excess properties, H(E)(m) and V(E)(m). These properties are then determined for those systems that present a miscibility zone. Binary systems containing 1,ω-dibromoalkanes with ω=5,6 present reduced solubility intervals at the temperature of 298.15 K. However, the mixtures with 1,1-dibromomethane were totally miscible with the three isomers of 1-butyl-X-methylpyridinium tetrafluoroborate. Mixtures with dibromomethane present H(E)(m) <0, whereas H(E)(m) >0 for the other binary systems. Sigmoidal curves were observed for the V(E)(m) describing expansion and contraction processes for all the systems, except for the mixtures of [b2mpy][BF(4)] with the smaller dibromoalkanes, which present contraction effects. The COSMO-RS methodology was used to estimate the solubilities and the intermolecular interaction energies, giving an acceptable explanation of the behavioral structure of pure compounds and solutions. This journal is © the Owner Societies 2011

Detecting phase separation of freeze-dried binary amorphous systems using pair-wise distribution function and multivariate data analysis.

PubMed

Chieng, Norman; Trnka, Hjalte; Boetker, Johan; Pikal, Michael; Rantanen, Jukka; Grohganz, Holger

2013-09-15

The purpose of this study is to investigate the use of multivariate data analysis for powder X-ray diffraction-pair-wise distribution function (PXRD-PDF) data to detect phase separation in freeze-dried binary amorphous systems. Polymer-polymer and polymer-sugar binary systems at various ratios were freeze-dried. All samples were analyzed by PXRD, transformed to PDF and analyzed by principal component analysis (PCA). These results were validated by differential scanning calorimetry (DSC) through characterization of glass transition of the maximally freeze-concentrate solute (Tg'). Analysis of PXRD-PDF data using PCA provides a more clear 'miscible' or 'phase separated' interpretation through the distribution pattern of samples on a score plot presentation compared to residual plot method. In a phase separated system, samples were found to be evenly distributed around the theoretical PDF profile. For systems that were miscible, a clear deviation of samples away from the theoretical PDF profile was observed. Moreover, PCA analysis allows simultaneous analysis of replicate samples. Comparatively, the phase behavior analysis from PXRD-PDF-PCA method was in agreement with the DSC results. Overall, the combined PXRD-PDF-PCA approach improves the clarity of the PXRD-PDF results and can be used as an alternative explorative data analytical tool in detecting phase separation in freeze-dried binary amorphous systems. Copyright © 2013 Elsevier B.V. All rights reserved.

Phase relations in the system NaCl-KCl-H2O: V. Thermodynamic-PTX analysis of solid-liquid equilibria at high temperatures and pressures

USGS Publications Warehouse

Sterner, S.M.; Chou, I.-Ming; Downs, R.T.; Pitzer, Kenneth S.

1992-01-01

The Gibbs energies of mixing for NaCl-KCl binary solids and liquids and solid-saturated NaCl-KCl-H2O ternary liquids were modeled using asymmetric Margules treatments. The coefficients of the expressions were calibrated using an extensive array of binary solvus and solidus data, and both binary and ternary liquidus data. Over the PTX range considered, the system exhibits complete liquid miscibility among all three components and extensive solid solution along the anhydrous binary. Solid-liquid and solid-solid phase equilibria were calculated by using the resulting equations and invoking the equality of chemical potentials of NaCl and KCl between appropriate phases at equilibrium. The equations reproduce the ternary liquidus and predict activity coefficients for NaCl and KCl components in the aqueous liquid under solid-saturation conditions between 673 and 1200 K from vapor saturation up to 5 kbar. In the NaCl-KCl anhydrous binary system, the equations describe phase equilibria and predict activity coefficients of the salt components for all stable compositions of solid and liquid phases between room temperature and 1200 K and from 1 bar to 5 kbar. ?? 1992.

Coupling discrete and continuum concentration particle models for multiscale and hybrid molecular-continuum simulations

NASA Astrophysics Data System (ADS)

Petsev, Nikolai D.; Leal, L. Gary; Shell, M. Scott

2017-12-01

Hybrid molecular-continuum simulation techniques afford a number of advantages for problems in the rapidly burgeoning area of nanoscale engineering and technology, though they are typically quite complex to implement and limited to single-component fluid systems. We describe an approach for modeling multicomponent hydrodynamic problems spanning multiple length scales when using particle-based descriptions for both the finely resolved (e.g., molecular dynamics) and coarse-grained (e.g., continuum) subregions within an overall simulation domain. This technique is based on the multiscale methodology previously developed for mesoscale binary fluids [N. D. Petsev, L. G. Leal, and M. S. Shell, J. Chem. Phys. 144, 084115 (2016)], simulated using a particle-based continuum method known as smoothed dissipative particle dynamics. An important application of this approach is the ability to perform coupled molecular dynamics (MD) and continuum modeling of molecularly miscible binary mixtures. In order to validate this technique, we investigate multicomponent hybrid MD-continuum simulations at equilibrium, as well as non-equilibrium cases featuring concentration gradients.

Crystallization of D-mannitol in binary mixtures with NaCl: phase diagram and polymorphism.

PubMed

Telang, Chitra; Suryanarayanan, Raj; Yu, Lian

2003-12-01

To study the crystallization, polymorphism, and phase behavior of D-mannitol in binary mixtures with NaCl to better understand their interactions in frozen aqueous solutions. Differential scanning calorimetry, hot-stage microscopy, Raman microscopy, and variable-temperature X-ray diffractometry were used to characterize D-mannitol-NaCl mixtures. NaCl and D-mannitol exhibited significant melt miscibility (up to 7.5% w/w or 0.20 mole fraction of NaCl) and a eutectic phase diagram (eutectic composition 7.5% w/w NaCl; eutectic temperature 150 degrees C for the alpha and beta polymorphs of D-mannitol and 139 degrees C for the delta). The presence of NaCl did not prevent mannitol from crystallizing but, depending on sample size, affected the polymorph crystallized: below 10 mg, delta was obtained; above 100 mg, alpha was obtained. Pure mannitol crystallized under the same conditions first as the delta polymorph and then as the a polymorph, with the latter nucleating on the former. KCl showed similar eutectic points and melt miscibility with D-mannitol as NaCl. LiCl yielded lower eutectic melting points, inhibited the crystallization of D-mannitol during cooling, and enabled the observation of its glass transition. Despite their structural dissimilarity, significant melt miscibility exists between D-mannitol and NaCl. Their phase diagram has been determined and features polymorph-dependent eutectic points. NaCl influences the polymorphic behavior of mannitol, and the effect is linked to the crystallization of mannitol in two polymorphic stages.

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

PubMed

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.

Multiphase, multicomponent phase behavior prediction

NASA Astrophysics Data System (ADS)

Dadmohammadi, Younas

Accurate prediction of phase behavior of fluid mixtures in the chemical industry is essential for designing and operating a multitude of processes. Reliable generalized predictions of phase equilibrium properties, such as pressure, temperature, and phase compositions offer an attractive alternative to costly and time consuming experimental measurements. The main purpose of this work was to assess the efficacy of recently generalized activity coefficient models based on binary experimental data to (a) predict binary and ternary vapor-liquid equilibrium systems, and (b) characterize liquid-liquid equilibrium systems. These studies were completed using a diverse binary VLE database consisting of 916 binary and 86 ternary systems involving 140 compounds belonging to 31 chemical classes. Specifically the following tasks were undertaken: First, a comprehensive assessment of the two common approaches (gamma-phi (gamma-ϕ) and phi-phi (ϕ-ϕ)) used for determining the phase behavior of vapor-liquid equilibrium systems is presented. Both the representation and predictive capabilities of these two approaches were examined, as delineated form internal and external consistency tests of 916 binary systems. For the purpose, the universal quasi-chemical (UNIQUAC) model and the Peng-Robinson (PR) equation of state (EOS) were used in this assessment. Second, the efficacy of recently developed generalized UNIQUAC and the nonrandom two-liquid (NRTL) for predicting multicomponent VLE systems were investigated. Third, the abilities of recently modified NRTL model (mNRTL2 and mNRTL1) to characterize liquid-liquid equilibria (LLE) phase conditions and attributes, including phase stability, miscibility, and consolute point coordinates, were assessed. The results of this work indicate that the ϕ-ϕ approach represents the binary VLE systems considered within three times the error of the gamma-ϕ approach. A similar trend was observed for the for the generalized model predictions using quantitative structure-property parameter generalizations (QSPR). For ternary systems, where all three constituent binary systems were available, the NRTL-QSPR, UNIQUAC-QSPR, and UNIFAC-6 models produce comparable accuracy. For systems where at least one constituent binary is missing, the UNIFAC-6 model produces larger errors than the QSPR generalized models. In general, the LLE characterization results indicate the accuracy of the modified models in reproducing the findings of the original NRTL model.

Communication: Cosolvency and cononsolvency explained in terms of a Flory-Huggins type theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dudowicz, Jacek, E-mail: dudowicz@jfi.uchicago.edu; Freed, Karl F.; Douglas, Jack F.

2015-10-07

Standard Flory-Huggins (FH) theory is utilized to describe the enigmatic cosolvency and cononsolvency phenomena for systems of polymers dissolved in mixed solvents. In particular, phase boundaries (specifically upper critical solution temperature spinodals) are calculated for solutions of homopolymers B in pure solvents and in binary mixtures of small molecule liquids A and C. The miscibility (or immiscibility) patterns for the ternary systems are classified in terms of the FH binary interaction parameters (χ{sub αβ}) and the ratio r = ϕ{sub A}/ϕ{sub C} of the concentrations ϕ{sub A} and ϕ{sub C} of the two solvents. The trends in miscibility are comparedmore » to those observed for blends of random copolymers (A{sub x}C{sub 1−x}) with homopolymers (B) and to those deduced for A/B/C solutions of polymers B in liquid mixtures of small molecules A and C that associate into polymeric clusters (A{sub p}C{sub q}){sub i}, (i = 1, 2, …, ∞). Although the classic FH theory is able to explain cosolvency and cononsolvency phenomena, the theory does not include a consideration of the mutual association of the solvent molecules and the competitive association between the solvent molecules and the polymer. These interactions can be incorporated in refinements of the FH theory, and the present paper provides a foundation for such extensions for modeling the rich thermodynamics of polymers in mixed solvents.« less

DEVELOPMENT AND OPTIMIZATION OF GAS-ASSISTED GRAVITY DRAINAGE (GAGD) PROCESS FOR IMPROVED LIGHT OIL RECOVERY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dandina N. Rao; Subhash C. Ayirala; Madhav M. Kulkarni

This report describes the progress of the project ''Development And Optimization of Gas-Assisted Gravity Drainage (GAGD) Process for Improved Light Oil Recovery'' for the duration of the thirteenth project quarter (Oct 1, 2005 to Dec 30, 2005). There are three main tasks in this research project. Task 1 is a scaled physical model study of the GAGD process. Task 2 is further development of a vanishing interfacial tension (VIT) technique for miscibility determination. Task 3 is determination of multiphase displacement characteristics in reservoir rocks. Section I reports experimental work designed to investigate wettability effects of porous medium, on secondary andmore » tertiary mode GAGD performance. The experiments showed a significant improvement of oil recovery in the oil-wet experiments versus the water-wet runs, both in secondary as well as tertiary mode. When comparing experiments conducted in secondary mode to those run in tertiary mode an improvement in oil recovery was also evident. Additionally, this section summarizes progress made with regard to the scaled physical model construction and experimentation. The purpose of building a scaled physical model, which attempts to include various multiphase mechanics and fluid dynamic parameters operational in the field scale, was to incorporate visual verification of the gas front for viscous instabilities, capillary fingering, and stable displacement. Preliminary experimentation suggested that construction of the 2-D model from sintered glass beads was a feasible alternative. During this reporting quarter, several sintered glass mini-models were prepared and some preliminary experiments designed to visualize gas bubble development were completed. In Section II, the gas-oil interfacial tensions measured in decane-CO{sub 2} system at 100 F and live decane consisting of 25 mole% methane, 30 mole% n-butane and 45 mole% n-decane against CO{sub 2} gas at 160 F have been modeled using the Parachor and newly proposed mechanistic Parachor models. In the decane-CO{sub 2} binary system, Parachor model was found to be sufficient for interfacial tension calculations. The predicted miscibility from the Parachor model deviated only by about 2.5% from the measured VIT miscibility. However, in multicomponent live decane-CO{sub 2} system, the performance of the Parachor model was poor, while good match of interfacial tension predictions has been obtained experimentally using the proposed mechanistic Parachor model. The predicted miscibility from the mechanistic Parachor model accurately matched with the measured VIT miscibility in live decane-CO2 system, which indicates the suitability of this model to predict miscibility in complex multicomponent hydrocarbon systems. In the previous reports to the DOE (15323R07, Oct 2004; 15323R08, Jan 2005; 15323R09, Apr 2005; 15323R10, July 2005 and 154323, Oct 2005), the 1-D experimental results from dimensionally scaled GAGD and WAG corefloods were reported for Section III. Additionally, since Section I reports the experimental results from 2-D physical model experiments; this section attempts to extend this 2-D GAGD study to 3-D (4-phase) flow through porous media and evaluate the performance of these processes using reservoir simulation. Section IV includes the technology transfer efforts undertaken during the quarter. This research work resulted in one international paper presentation in Tulsa, OK; one journal publication; three pending abstracts for SCA 2006 Annual Conference and an invitation to present at the Independents Day session at the IOR Symposium 2006.« less

Equilibrating high-molecular-weight symmetric and miscible polymer blends with hierarchical back-mapping.

PubMed

Ohkuma, Takahiro; Kremer, Kurt; Daoulas, Kostas

2018-05-02

Understanding properties of polymer alloys with computer simulations frequently requires equilibration of samples comprised of microscopically described long molecules. We present the extension of an efficient hierarchical backmapping strategy, initially developed for homopolymer melts, to equilibrate high-molecular-weight binary blends. These mixtures present significant interest for practical applications and fundamental polymer physics. In our approach, the blend is coarse-grained into models representing polymers as chains of soft blobs. Each blob stands for a subchain with N b microscopic monomers. A hierarchy of blob-based models with different resolution is obtained by varying N b . First the model with the largest N b is used to obtain an equilibrated blend. This configuration is sequentially fine-grained, reinserting at each step the degrees of freedom of the next in the hierarchy blob-based model. Once the blob-based description is sufficiently detailed, the microscopic monomers are reinserted. The hard excluded volume is recovered through a push-off procedure and the sample is re-equilibrated with molecular dynamics (MD), requiring relaxation on the order of the entanglement time. For the initial method development we focus on miscible blends described on microscopic level through a generic bead-spring model, which reproduces hard excluded volume, strong covalent bonds, and realistic liquid density. The blended homopolymers are symmetric with respect to molecular architecture and liquid structure. To parameterize the blob-based models and validate equilibration of backmapped samples, we obtain reference data from independent hybrid simulations combining MD and identity exchange Monte Carlo moves, taking advantage of the symmetry of the blends. The potential of the backmapping strategy is demonstrated by equilibrating blend samples with different degree of miscibility, containing 500 chains with 1000 monomers each. Equilibration is verified by comparing chain conformations and liquid structure in backmapped blends with the reference data. Possible directions for further methodological developments are discussed.

Equilibrating high-molecular-weight symmetric and miscible polymer blends with hierarchical back-mapping

NASA Astrophysics Data System (ADS)

Ohkuma, Takahiro; Kremer, Kurt; Daoulas, Kostas

2018-05-01

Understanding properties of polymer alloys with computer simulations frequently requires equilibration of samples comprised of microscopically described long molecules. We present the extension of an efficient hierarchical backmapping strategy, initially developed for homopolymer melts, to equilibrate high-molecular-weight binary blends. These mixtures present significant interest for practical applications and fundamental polymer physics. In our approach, the blend is coarse-grained into models representing polymers as chains of soft blobs. Each blob stands for a subchain with N b microscopic monomers. A hierarchy of blob-based models with different resolution is obtained by varying N b. First the model with the largest N b is used to obtain an equilibrated blend. This configuration is sequentially fine-grained, reinserting at each step the degrees of freedom of the next in the hierarchy blob-based model. Once the blob-based description is sufficiently detailed, the microscopic monomers are reinserted. The hard excluded volume is recovered through a push-off procedure and the sample is re-equilibrated with molecular dynamics (MD), requiring relaxation on the order of the entanglement time. For the initial method development we focus on miscible blends described on microscopic level through a generic bead-spring model, which reproduces hard excluded volume, strong covalent bonds, and realistic liquid density. The blended homopolymers are symmetric with respect to molecular architecture and liquid structure. To parameterize the blob-based models and validate equilibration of backmapped samples, we obtain reference data from independent hybrid simulations combining MD and identity exchange Monte Carlo moves, taking advantage of the symmetry of the blends. The potential of the backmapping strategy is demonstrated by equilibrating blend samples with different degree of miscibility, containing 500 chains with 1000 monomers each. Equilibration is verified by comparing chain conformations and liquid structure in backmapped blends with the reference data. Possible directions for further methodological developments are discussed.

Phase equilibrium measurements on nine binary mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilding, W.V.; Giles, N.F.; Wilson, L.C.

1996-11-01

Phase equilibrium measurements have been performed on nine binary mixtures. The PTx method was used to obtain vapor-liquid equilibrium data for the following systems at two temperatures each: (aminoethyl)piperazine + diethylenetriamine; 2-butoxyethyl acetate + 2-butoxyethanol; 2-methyl-2-propanol + 2-methylbutane; 2-methyl-2-propanol + 2-methyl-2-butene; methacrylonitrile + methanol; 1-chloro-1,1-difluoroethane + hydrogen chloride; 2-(hexyloxy)ethanol + ethylene glycol; butane + ammonia; propionaldehyde + butane. Equilibrium vapor and liquid phase compositions were derived form the PTx data using the Soave equation of state to represent the vapor phase and the Wilson or the NRTL activity coefficient model to represent the liquid phase. A large immiscibility region existsmore » in the butane + ammonia system at 0 C. Therefore, separate vapor-liquid-liquid equilibrium measurements were performed on this system to more precisely determine the miscibility limits and the composition of the vapor phase in equilibrium with the two liquid phases.« less

Thermodynamic properties of hematite — ilmenite — geikielite solid solutions

NASA Astrophysics Data System (ADS)

Ghiorso, Mark S.

1990-11-01

A solution model is developed for rhombohedral oxide solid solutions having compositions within the ternary system ilmenite [(Fe{2+/ s }Ti{4+/1- s }) A (Fe{2+/1- s }Ti{4+/s}) B O3]-geikielite [(Mg{2+/ t }Ti{4+/1- t }) A (Mg{2+/1- t }Ti{4+/ t }) B O3]-hematite [(Fe3+) A (Fe3+) B O3]. The model incorporates an expression for the configurational entropy of solution, which accounts for varying degrees of structural long-range order (0≤s, t≤1) and utilizes simple regular solution theory to characterize the excess Gibbs free energy of mixing within the five-dimensional composition-ordering space. The 13 model parameters are calibrated from available data on: (1) the degree of long-range order and the composition-temperature dependence of theRbar 3c - Rbar 3 transition along the ilmenite-hematite binary join; (2) the compositions of coexisting olivine and rhombohedral oxide solid solutions close to the Mg-Fe2+ join; (3) the shape of the miscibility gap along the ilmenite-hematite join; (4) the compositions of coexisting spinel and rhombohedral oxide solid solutions along the Fe2+-Fe3+ join. In the course of calibration, estimates are obtained for the reference state enthalpy of formation of ulvöspinel and stoichiometric hematite (-1488.5 and -822.0 kJ/mol at 298 K and 1 bar, respectively). The model involves no excess entropies of mixing nor does it incorporate ternary interaction parameters. The formulation fits the available data and represents an internally consistent energetic model when used in conjuction with the standard state thermodynamic data set of Berman (1988) and the solution theory for orthopyroxenes, olivines and Fe-Mg titanomagnetite-aluminate-chromate spinels developed by Sack and Ghiorso (1989, 1990a, b). Calculated activity-composition relations for the end-members of the series, demonstrate the substantial degree of nonideality associated with interactions between the ordered and disordered structures and the dominant influence of the miscibility gap across much of the ternary system. The predicted shape of the miscibility gap, and the orientation of tie-lines relating the compositions of coexisting phases, display the effects of coupling between the excess enthalpy of solution and the degree of long-range order. One limb of the miscibility gap follows the composititiontemperature surface corresponding to the ternaryRbar 3 - Rbar 3c second-order transition.

Coupling discrete and continuum concentration particle models for multiscale and hybrid molecular-continuum simulations

DOE PAGES

Petsev, Nikolai Dimitrov; Leal, L. Gary; Shell, M. Scott

2017-12-21

Hybrid molecular-continuum simulation techniques afford a number of advantages for problems in the rapidly burgeoning area of nanoscale engineering and technology, though they are typically quite complex to implement and limited to single-component fluid systems. We describe an approach for modeling multicomponent hydrodynamic problems spanning multiple length scales when using particle-based descriptions for both the finely-resolved (e.g. molecular dynamics) and coarse-grained (e.g. continuum) subregions within an overall simulation domain. This technique is based on the multiscale methodology previously developed for mesoscale binary fluids [N. D. Petsev, L. G. Leal, and M. S. Shell, J. Chem. Phys. 144, 84115 (2016)], simulatedmore » using a particle-based continuum method known as smoothed dissipative particle dynamics (SDPD). An important application of this approach is the ability to perform coupled molecular dynamics (MD) and continuum modeling of molecularly miscible binary mixtures. In order to validate this technique, we investigate multicomponent hybrid MD-continuum simulations at equilibrium, as well as non-equilibrium cases featuring concentration gradients.« less

Coupling discrete and continuum concentration particle models for multiscale and hybrid molecular-continuum simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Petsev, Nikolai Dimitrov; Leal, L. Gary; Shell, M. Scott

Hybrid molecular-continuum simulation techniques afford a number of advantages for problems in the rapidly burgeoning area of nanoscale engineering and technology, though they are typically quite complex to implement and limited to single-component fluid systems. We describe an approach for modeling multicomponent hydrodynamic problems spanning multiple length scales when using particle-based descriptions for both the finely-resolved (e.g. molecular dynamics) and coarse-grained (e.g. continuum) subregions within an overall simulation domain. This technique is based on the multiscale methodology previously developed for mesoscale binary fluids [N. D. Petsev, L. G. Leal, and M. S. Shell, J. Chem. Phys. 144, 84115 (2016)], simulatedmore » using a particle-based continuum method known as smoothed dissipative particle dynamics (SDPD). An important application of this approach is the ability to perform coupled molecular dynamics (MD) and continuum modeling of molecularly miscible binary mixtures. In order to validate this technique, we investigate multicomponent hybrid MD-continuum simulations at equilibrium, as well as non-equilibrium cases featuring concentration gradients.« less

Estimation of minimum miscibility pressure (MMP) of CO2 and liquid n-alkane systems using an improved MRI technique.

PubMed

Liu, Yu; Jiang, Lanlan; Song, Yongchen; Zhao, Yuechao; Zhang, Yi; Wang, Dayong

2016-02-01

Minimum miscible pressure (MMP) of gas and oil system is a key parameter for the injection system design of CO2 miscible flooding. Some industrial standard approaches such as the experiment using a rising bubble apparatus (RBA), the slim tube tests (STT), the pressure-density diagram (PDD), etc. have been applied for decades to determine the MMP of gas and oil. Some theoretical or experiential calculations of the MMP were also applied to the gas-oil miscible system. In the present work, an improved technique based on our previous research for the estimation of the MMP by using magnetic resonance imaging (MRI) was proposed. This technique was then applied to the CO2 and n-alkane binary and ternary systems to observe the mixing procedure and to study the miscibility. MRI signal intensities, which represent the proton concentration of n-alkane in both the hydrocarbon rich phase and the CO2 rich phase, were plotted as a reference for determining the MMP. The accuracy of the MMP obtained by using this improved technique was enhanced comparing with the data obtained from our previous works. The results also show good agreement with other established techniques (such as the STT) in previous published works. It demonstrates increases of MMPs as the temperature rise from 20 °C to 37.8 °C. The MMPs of CO2 and n-alkane systems are also found to be proportional to the carbon number in the range of C10 to C14. Copyright © 2015 Elsevier Inc. All rights reserved.

Nonergodicity of microfine binary systems

NASA Astrophysics Data System (ADS)

Son, L. D.; Sidorov, V. E.; Popel', P. S.; Shul'gin, D. B.

2016-02-01

The correction to the equation of state that is related to the nonergodicity of diffusion dynamics is discussed for a binary solid solution with a limited solubility. It is asserted that, apart from standard thermodynamic variables (temperature, volume, concentration), this correction should be taken into account in the form of the average local chemical potential fluctuations associated with microheterogeneity in order to plot a phase diagram. It is shown that a low value of this correction lowers the miscibility gap and that this gap splits when this correction increases. This situation is discussed for eutectic systems and Ga-Pb, Fe-Cu, and Cu-Zr alloys.

Control of nanoscale atomic arrangement in multicomponent thin films by temporally modulated vapour fluxes

NASA Astrophysics Data System (ADS)

Sarakinos, Kostas

2016-09-01

Synthesis of multicomponent thin films using vapor fluxes with a modulated deposition pattern is a potential route for accessing a wide gamut of atomic arrangements and morphologies for property tuning. In the current study, we present a research concept that allows for understanding the combined effect of flux modulation, kinetics and thermodynamics on the growth of multinary thin films. This concept entails the combined use of thin film synthesis by means of multiatomic vapor fluxes modulated with sub-monolayer resolution, deterministic growth simulations and nanoscale microstructure probes. Using this research concept we study structure formation within the archetype immiscible Ag-Cu binary system showing that atomic arrangement and morphology at different length scales is governed by diffusion of near-surface Ag atoms to encapsulate 3D Cu islands growing on 2D Ag layers. Moreover, we explore the relevance of the mechanism outlined above for morphology evolution and structure formation within the miscible Ag-Au binary system. The knowledge generated and the methodology presented herein provides the scientific foundation for tailoring atomic arrangement and physical properties in a wide range of miscible and immiscible multinary systems.

Prediction of solubility parameters and miscibility of pharmaceutical compounds by molecular dynamics simulations.

PubMed

Gupta, Jasmine; Nunes, Cletus; Vyas, Shyam; Jonnalagadda, Sriramakamal

2011-03-10

The objectives of this study were (i) to develop a computational model based on molecular dynamics technique to predict the miscibility of indomethacin in carriers (polyethylene oxide, glucose, and sucrose) and (ii) to experimentally verify the in silico predictions by characterizing the drug-carrier mixtures using thermoanalytical techniques. Molecular dynamics (MD) simulations were performed using the COMPASS force field, and the cohesive energy density and the solubility parameters were determined for the model compounds. The magnitude of difference in the solubility parameters of drug and carrier is indicative of their miscibility. The MD simulations predicted indomethacin to be miscible with polyethylene oxide and to be borderline miscible with sucrose and immiscible with glucose. The solubility parameter values obtained using the MD simulations values were in reasonable agreement with those calculated using group contribution methods. Differential scanning calorimetry showed melting point depression of polyethylene oxide with increasing levels of indomethacin accompanied by peak broadening, confirming miscibility. In contrast, thermal analysis of blends of indomethacin with sucrose and glucose verified general immiscibility. The findings demonstrate that molecular modeling is a powerful technique for determining the solubility parameters and predicting miscibility of pharmaceutical compounds. © 2011 American Chemical Society

Binary breath figures for straightforward and controllable self-assembly of microspherical caps.

PubMed

Gong, Jianliang; Xu, Bingang; Tao, Xiaoming; Li, Lei

2016-05-11

The intense interest surrounding asymmetrical microparticles originates from their unique anisotropic properties and promising applications. In this work, direct self-assembly of polymeric microspherical caps without the assistance of any additives has been achieved by using low-surface-tension methanol (MeOH) and high-surface-tension water as binary breath figures (BFs). With the evaporation of polystyrene (PS) solution containing low-boiling-point solvent in the binary vapors, the formed MeOH BFs could quickly diffuse into solution, while water BFs tended to remain at the solution surface. This led to the formation of a gradient nonsolvent layer at the vapor/solution interface, which induced the formation of nuclei and guided further asymmetrical growth of polymer particles. After the spontaneous removal of MeOH, water and residual solvent by evaporation, polymeric microspherical caps were left on the substrate. Through controlling the proportion of water introduced by adjusting the ratios of MeOH and water, polymeric microspherical caps with a range of controllable shapes (divided at different positions of a sphere) were successfully obtained. The formation mechanism was explained based on the difference of vapor pressure, surface tension and miscibility between the employed solvents and nonsolvents. A solvent possessing a high vapor pressure, low surface tension and good miscibility with MeOH contributed to the formation of microspherical caps. This flexible, green and straightforward technique is a nondestructive strategy, and avoids complicated work on design, preparation and removal of hard templates and additives.

Combustion of two-component miscible droplets in reduced gravity

NASA Technical Reports Server (NTRS)

Shaw, Benjamin D.; Aharon, Israel; Gage, James W.; Jenkins, Andrew J.; Kahoe, Thomas J.

1995-01-01

This research focuses on the combustion of binary miscible droplets initially in the mm size range. Experiments are performed using the NASA Lewis 2.2 sec drop tower in Cleveland, Ohio, where mixtures of alkanes and/or alcohols are studied. The fuel components are selected to have significantly different volatilities. Initial oxygen mole fractions from about 0.15-0.5 and initial pressures from 0.2-2 atm are employed. Different inerts are used (He, CO2, Ar, N2) to change burning rates and sooting behaviors. Objectives are to observe the following: (1) Transient droplet diameters (including three-staged combustion behaviors and microexplosion; (2) Transient flow behaviors (sudden flame contraction, luminosity, extinction); and (3) Behaviors of observable soot particles. theoretical and computational research in support of this program has also been undertaken. This research includes analytical studies to determine the effects of small but nonzero gravitational levels on droplet gasification, analytical studies of hydrodynamic stability of spherically-symmetrical droplet gasification (to address the question as to whether spherically-symmetrical droplet gasification may be destabilized from capillary, i.e., Marangoni effects), and computational modeling of effects of capillary stresses on droplet gasification.

Effect of solvent evaporation and coagulation on morphology development of asymmetric membranes

NASA Astrophysics Data System (ADS)

Chandrasekaran, Neelakandan; Kyu, Thein

2008-03-01

Miscibility behavior of blends of amorphous polyamide (PA) and polyvinylpyrrolidone (PVP) was studied in relation to membrane formation. Dimethylsulfoxide (DMSO) and water were used as solvent and non-solvent, respectively. Differential scanning calorimetry and cloud point measurements revealed that the binary PA/PVP blends as well as the ternary PA/PVP/DMSO system were completely miscible at all compositions. However, the addition of non-solvent (water) to this ternary system has led to phase separation. Visual turbidity study was used to establish a ternary liquid-liquid phase diagram of the PA-PVP/DMSO/water system. Scanning Electron Microscopy (SEM) showed the development of finger-like and sponge-like cross sectional morphologies during coagulation. Effects of polymer concentration, PA/PVP blend ratio, solvent/non-solvent quality, and evaporation time on the resulting membrane morphology will be discussed.

The Cu-Li-Sn Phase Diagram: Isopleths, Liquidus Projection and Reaction Scheme

PubMed Central

Flandorfer, Hans

2016-01-01

The Cu-Li-Sn phase diagram was constructed based on XRD and DTA data of 60 different alloy compositions. Eight ternary phases and 14 binary solid phases form 44 invariant ternary reactions, which are illustrated by a Scheil-Schulz reaction scheme and a liquidus projection. Phase equilibria as a function of concentration and temperature are shown along nine isopleths. This report together with an earlier publication of our group provides for the first time comprehensive investigations of phase equilibria and respective phase diagrams. Most of the phase equilibria could be established based on our experimental results. Only in the Li-rich part where many binary and ternary compounds are present estimations had to be done which are all indicated by dashed lines. A stable ternary miscibility gap could be found which was predicted by modelling the liquid ternary phase in a recent work. The phase diagrams are a crucial input for material databases and thermodynamic optimizations regarding new anode materials for high-power Li-ion batteries. PMID:27788175

Description of Adsorption in Liquid Chromatography under Nonideal Conditions.

PubMed

Ortner, Franziska; Ruppli, Chantal; Mazzotti, Marco

2018-05-15

A thermodynamically consistent description of binary adsorption in reversed-phase chromatography is presented, accounting for thermodynamic nonidealities in the liquid and adsorbed phases. The investigated system involves the adsorbent Zorbax 300SB-C18, as well as phenetole and 4- tert-butylphenol as solutes and methanol and water as inert components forming the eluent. The description is based on adsorption isotherms, which are a function of the liquid-phase activities, to account for nonidealities in the liquid phase. Liquid-phase activities are calculated with a UNIQUAC model established in this work, based on experimental phase equilibrium data. The binary interaction in the adsorbed phase is described by the adsorbed solution theory, assuming an ideal (ideal adsorbed solution theory) or real (real adsorbed solution theory) adsorbed phase. Implementation of the established adsorption model in a chromatographic code achieves a quantitative description of experimental elution profiles, with feed compositions exploiting the entire miscible region, and involving a broad range of different eluent compositions (methanol/water). The quantitative agreement of the model and experimental data serves as a confirmation of the underlying physical (thermodynamic) concepts and of their applicability to a broad range of operating conditions.

Optimising Drug Solubilisation in Amorphous Polymer Dispersions: Rational Selection of Hot-melt Extrusion Processing Parameters.

PubMed

Li, Shu; Tian, Yiwei; Jones, David S; Andrews, Gavin P

2016-02-01

The aim of this article was to construct a T-ϕ phase diagram for a model drug (FD) and amorphous polymer (Eudragit® EPO) and to use this information to understand the impact of how temperature-composition coordinates influenced the final properties of the extrudate. Defining process boundaries and understanding drug solubility in polymeric carriers is of utmost importance and will help in the successful manufacture of new delivery platforms for BCS class II drugs. Physically mixed felodipine (FD)-Eudragit(®) EPO (EPO) binary mixtures with pre-determined weight fractions were analysed using DSC to measure the endset of melting and glass transition temperature. Extrudates of 10 wt% FD-EPO were processed using temperatures (110°C, 126°C, 140°C and 150°C) selected from the temperature-composition (T-ϕ) phase diagrams and processing screw speed of 20, 100 and 200rpm. Extrudates were characterised using powder X-ray diffraction (PXRD), optical, polarised light and Raman microscopy. To ensure formation of a binary amorphous drug dispersion (ADD) at a specific composition, HME processing temperatures should at least be equal to, or exceed, the corresponding temperature value on the liquid-solid curve in a F-H T-ϕ phase diagram. If extruded between the spinodal and liquid-solid curve, the lack of thermodynamic forces to attain complete drug amorphisation may be compensated for through the use of an increased screw speed. Constructing F-H T-ϕ phase diagrams are valuable not only in the understanding drug-polymer miscibility behaviour but also in rationalising the selection of important processing parameters for HME to ensure miscibility of drug and polymer.

Miscibility and Thermodynamics of Mixing of Different Models of Formamide and Water in Computer Simulation.

PubMed

Kiss, Bálint; Fábián, Balázs; Idrissi, Abdenacer; Szőri, Milán; Jedlovszky, Pál

2017-07-27

The thermodynamic changes that occur upon mixing five models of formamide and three models of water, including the miscibility of these model combinations itself, is studied by performing Monte Carlo computer simulations using an appropriately chosen thermodynamic cycle and the method of thermodynamic integration. The results show that the mixing of these two components is close to the ideal mixing, as both the energy and entropy of mixing turn out to be rather close to the ideal term in the entire composition range. Concerning the energy of mixing, the OPLS/AA_mod model of formamide behaves in a qualitatively different way than the other models considered. Thus, this model results in negative, while the other ones in positive energy of mixing values in combination with all three water models considered. Experimental data supports this latter behavior. Although the Helmholtz free energy of mixing always turns out to be negative in the entire composition range, the majority of the model combinations tested either show limited miscibility, or, at least, approach the miscibility limit very closely in certain compositions. Concerning both the miscibility and the energy of mixing of these model combinations, we recommend the use of the combination of the CHARMM formamide and TIP4P water models in simulations of water-formamide mixtures.

Transient Interfacial Phenomena in Miscible Polymer Systems (TIPMPS)

NASA Technical Reports Server (NTRS)

Pojman, John A.; Bessonov, Nicholas; Volpert, Vitaly; Wilke, Hermann

2003-01-01

Almost one hundred years ago Korteweg published a theory of how stresses could be induced in miscible fluids by concentration gradients, causing phenomena that would appear to be the same as with immiscible fluids. Miscible fluids could manifest a transient or effective interfacial tension (EIT). To this day, there has been no definitive experiment to confirm Korteweg's model but numerous fascinating and suggestive experiments have been reported. The goal of TIPMPS is to answer the question: Can concentration and temperature gradients in miscible materials induce stresses that cause convection? Many polymer processes involving miscible monomer and polymer systems could be affected by fluid flow and so this work could help understand miscible polymer processing, not only in microgravity, but also on earth. Demonstrating the existence of this phenomenon in miscible fluids will open up a new area of study for materials science. The science objectives of TIPMPS are: (1) Determine if convection can be induced by variation of the width of a miscible interface; (2) Determine if convection can be induced by variation of temperature along a miscible interface; (3) Determine if convection can be induced by variation of conversion along a miscible interface An interface between two miscible fluids can best be created via a spatially-selective photopolymerization of dodecyl acrylate with a photoinitiator, which allows the creation of precise and accurate concentration gradients between polymer and monomer. Optical techniques will be used to measure the refractive index variation caused by the resultant temperature and concentration fields. The viscosity of the polymer will be measured from the increase in the fluorescence of pyrene. Because the large concentration and temperature gradients cause buoyancy-driven convection that prevents the observation of the predicted flows, the experiment must be done in microgravity. In this report, we will consider our efforts to estimate the square gradient parameter, k, and our use of the estimates in modeling of the planned TIPMPS experiments. We developed a model consisting of the heat and diffusion equations with convective terms and of the Navier-Stokes equations with an additional volume force written in the form of the Korteweg stresses arising from nonlocal interaction in the fluid. The fluid's viscosity dependence on polymer conversion and temperature was taken from measurements of poly(dodecyl acrylate). Numerical modeling demonstrated that significant flows would arise for conditions corresponding to the planned experiments.

Relating hydrogen-bonding interactions with the phase behavior of naproxen/PVP K 25 solid dispersions: evaluation of solution-cast and quench-cooled films.

PubMed

Paudel, Amrit; Nies, Erik; Van den Mooter, Guy

2012-11-05

In this work, we investigated the relationship between various intermolecular hydrogen-bonding (H-bonding) interactions and the miscibility of the model hydrophobic drug naproxen with the hydrophilic polymer polyvinylpyrrolidone (PVP) across an entire composition range of solid dispersions prepared by quasi-equilibrium film casting and nonequilibrium melt quench cooling. The binary phase behavior in solid dispersions exhibited substantial processing method dependence. The solid state solubility of crystalline naproxen in PVP to form amorphous solid dispersions was 35% and 70% w/w naproxen in solution-cast films and quench-cooled films, respectively. However, the presence of a single mixed phase glass transition indicated the amorphous miscibility to be 20% w/w naproxen for the films, beyond which amorphous-amorphous and/or crystalline phase separations were apparent. This was further supported by the solution state interactions data such as PVP globular size distribution and solution infrared spectral profiles. The borderline melt composition showed cooling rate dependence of amorphization. The glass transition and melting point depression profiles of the system were treated with the analytical expressions based on Flory-Huggins mixing theory to interpolate the equilibrium solid solubility. FTIR analysis and subsequent spectral deconvolution revealed composition and miscibility dependent variations in the strength of drug-polymer intermolecular H-bonding. Two types of H-bonded populations were evidenced from 25% w/w and 35% w/w naproxen in solution-cast films and quench-cooled films, respectively, with the higher fraction of strongly H-bonded population in the drug rich domains of phase separated amorphous film compositions and highly drug loaded amorphous quench-cooled dispersions.

Blends of polyester ionomers with polar polymers: Interactions, reactions, and compatibilization

NASA Astrophysics Data System (ADS)

Boykin, Timothy Lamar

The compatibility of amorphous and semicrystalline polyester ionomers with various polar polymers (i.e., polyesters and polyamides) has been investigated for their potential use as minor component compatibilizers. The degree of compatibility (i.e., ranging from incompatible to miscible) between the polyester ionomers and the polar polymers was determined by evaluating the effect of blend composition on the melting behavior and phase behavior of binary blends. In addition, the origin of compatibility and/or incompatibility for each of the binary blends (i.e., polyamide/ionomer and polyester/ionomer) was determined by evaluating blends prepared by both solution and melt mixed methods. Subsequent to investigation of the binary blends, the effect of polyester ionomer addition on the compatibility of polyamide/polyester blends was investigated by evaluating the mechanical properties and phase morphology of ionomer compatibilized polyamide/polyester blends. Polyester ionomers (amorphous and semicrystalline) were shown to exhibit a high degree of compatibility (even miscibility) with polyamides, such as nylon 6,6 (N66). Compatibility was attributed to specific interactions between the metal counterion of the polyester ionomer and the amide groups of N66. The degree of compatibility (or miscibility) was shown to be dependent on the counterion type of the ionomer, with the highest degree exhibited by blends containing the divalent form of the polyester ionomers. Although polyester ionomers were shown to exhibit incompatibility with both poly(ethylene terephthalate) (PET) and poly(butylene terephthalate) (PBT), increasing the time of melt processing significantly enhanced the compatibility of the polyester ionomers with both PET and PBT. The observed enhancement in compatibility was attributed to ester-ester interchange between the polyester blend components, which was confirmed by NMR spectroscopy. The addition of polyester ionomers as a minor component compatibilizer (i.e., 2 to 5 wt%) resulted in significant enhancement in the impact strength and a dramatic improvement in the tensile properties compared to uncompatibilized blends of nylon 6,6 (N66) with poly(butylene terephthalate) (PBT). This behavior was attributed to an increase in the interfacial adhesion between the phase-separated domains due to strong interactions between the polyester ionomer and N66. The placement of the ionomer compatibilizer at the N66/PBT interface was facilitated by pre-extrusion of the polyester ionomer with PBT, prior to extrusion with N66.

Laser-induced reversion of δ' precipitates in an Al-Li alloy: Study on temperature rise in pulsed laser atom probe.

PubMed

Khushaim, Muna; Gemma, Ryota; Al-Kassab, Talaat

2016-08-01

The influence of tuning the laser pulse energy during the analyses on the resulting microstructure in a specimen utilizing an ultra-fast laser assisted atom probe was demonstrated by a case study of a binary Al-Li alloy. The decomposition parameters, such as the size, number density, volume fraction, and composition of δ' precipitates, were carefully monitored after each analysis. A simple model was employed to estimate the corresponding specimen temperature for each value of the laser energy. The results indicated that the corresponding temperatures for the laser pulse energy in the range of 10 to 80 pJ are located inside the miscibility gap of the binary Al-Li phase diagram and fall into the metastable equilibrium field. In addition, the corresponding temperature for a laser pulse energy of 100 pJ was in fairly good agreement with reported range of  δ' solvus temperature, suggesting a result of reversion upon heating due to laser pulsing. Microsc. Res. Tech. 79:727-737, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Phase stability in nanoscale material systems: extension from bulk phase diagrams

NASA Astrophysics Data System (ADS)

Bajaj, Saurabh; Haverty, Michael G.; Arróyave, Raymundo; Goddard Frsc, William A., III; Shankar, Sadasivan

2015-05-01

Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by calculating their phase diagrams at nano dimensions and comparing them with their bulk counterparts. The surface energy contribution, which is the dominant factor in causing these changes, is evaluated using the spherical particle approximation. It is first validated with the Au-Si system for which experimental data on phase stability of spherical nano-sized particles is available, and then extended to calculate phase diagrams of similarly sized particles of Ge-Si and Al-Cu. Additionally, the surface energies of the associated compounds are calculated using DFT, and integrated into the thermodynamic model of the respective binary systems. In this work we found changes in miscibilities, reaction compositions of about 5 at%, and solubility temperatures ranging from 100-200 K for particles of sizes 5 nm, indicating the importance of phase equilibrium analysis at nano dimensions.Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by calculating their phase diagrams at nano dimensions and comparing them with their bulk counterparts. The surface energy contribution, which is the dominant factor in causing these changes, is evaluated using the spherical particle approximation. It is first validated with the Au-Si system for which experimental data on phase stability of spherical nano-sized particles is available, and then extended to calculate phase diagrams of similarly sized particles of Ge-Si and Al-Cu. Additionally, the surface energies of the associated compounds are calculated using DFT, and integrated into the thermodynamic model of the respective binary systems. In this work we found changes in miscibilities, reaction compositions of about 5 at%, and solubility temperatures ranging from 100-200 K for particles of sizes 5 nm, indicating the importance of phase equilibrium analysis at nano dimensions. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr01535a

Monte Carlo simulation of star/linear and star/star blends with chemically identical monomers

NASA Astrophysics Data System (ADS)

Theodorakis, P. E.; Avgeropoulos, A.; Freire, J. J.; Kosmas, M.; Vlahos, C.

2007-11-01

The effects of chain size and architectural asymmetry on the miscibility of blends with chemically identical monomers, differing only in their molecular weight and architecture, are studied via Monte Carlo simulation by using the bond fluctuation model. Namely, we consider blends composed of linear/linear, star/linear and star/star chains. We found that linear/linear blends are more miscible than the corresponding star/star mixtures. In star/linear blends, the increase in the volume fraction of the star chains increases the miscibility. For both star/linear and star/star blends, the miscibility decreases with the increase in star functionality. When we increase the molecular weight of linear chains of star/linear mixtures the miscibility decreases. Our findings are compared with recent analytical and experimental results.

Widom Lines in Binary Mixtures of Supercritical Fluids.

PubMed

Raju, Muralikrishna; Banuti, Daniel T; Ma, Peter C; Ihme, Matthias

2017-06-08

Recent experiments on pure fluids have identified distinct liquid-like and gas-like regimes even under supercritical conditions. The supercritical liquid-gas transition is marked by maxima in response functions that define a line emanating from the critical point, referred to as Widom line. However, the structure of analogous state transitions in mixtures of supercritical fluids has not been determined, and it is not clear whether a Widom line can be identified for binary mixtures. Here, we present first evidence for the existence of multiple Widom lines in binary mixtures from molecular dynamics simulations. By considering mixtures of noble gases, we show that, depending on the phase behavior, mixtures transition from a liquid-like to a gas-like regime via distinctly different pathways, leading to phase relationships of surprising complexity and variety. Specifically, we show that miscible binary mixtures have behavior analogous to a pure fluid and the supercritical state space is characterized by a single liquid-gas transition. In contrast, immiscible binary mixture undergo a phase separation in which the clusters transition separately at different temperatures, resulting in multiple distinct Widom lines. The presence of this unique transition behavior emphasizes the complexity of the supercritical state to be expected in high-order mixtures of practical relevance.

Investigation of phase diagrams and physical stability of drug-polymer solid dispersions.

PubMed

Lu, Jiannan; Shah, Sejal; Jo, Seongbong; Majumdar, Soumyajit; Gryczke, Andreas; Kolter, Karl; Langley, Nigel; Repka, Michael A

2015-01-01

Solid dispersion technology has been widely explored to improve the solubility and bioavailability of poorly water-soluble compounds. One of the critical drawbacks associated with this technology is the lack of physical stability, i.e. the solid dispersion would undergo recrystallization or phase separation thus limiting a product's shelf life. In the current study, the melting point depression method was utilized to construct a complete phase diagram for felodipine (FEL)-Soluplus® (SOL) and ketoconazole (KTZ)-Soluplus® (SOL) binary systems, respectively, based on the Flory-Huggins theory. The miscibility or solubility of the two compounds in SOL was also determined. The Flory-Huggins interaction parameter χ values of both systems were calculated as positive at room temperature (25 °C), indicating either compound was miscible with SOL. In addition, the glass transition temperatures of both solid dispersion systems were theoretically predicted using three empirical equations and compared with the practical values. Furthermore, the FEL-SOL solid dispersions were subjected to accelerated stability studies for up to 3 months.

Evaporation-Triggered Segregation of Sessile Binary Droplets.

PubMed

Li, Yaxing; Lv, Pengyu; Diddens, Christian; Tan, Huanshu; Wijshoff, Herman; Versluis, Michel; Lohse, Detlef

2018-06-01

Droplet evaporation of multicomponent droplets is essential for various physiochemical applications, e.g., in inkjet printing, spray cooling, and microfabrication. In this work, we observe and study the phase segregation of an evaporating sessile binary droplet, consisting of a miscible mixture of water and a surfactantlike liquid (1,2-hexanediol). The phase segregation (i.e., demixing) leads to a reduced water evaporation rate of the droplet, and eventually the evaporation process ceases due to shielding of the water by the nonvolatile 1,2-hexanediol. Visualizations of the flow field by particle image velocimetry and numerical simulations reveal that the timescale of water evaporation at the droplet rim is faster than that of the Marangoni flow, which originates from the surface tension difference between water and 1,2-hexanediol, eventually leading to segregation.

Dipolar interactions and miscibility in binary Langmuir monolayers with opposite dipole moments of the hydrophilic heads.

PubMed

Petrov, Jordan G; Andreeva, Tonya D; Moehwald, Helmuth

2009-04-09

We investigate unusual binary Langmuir monolayers with the same long CH3(CH2)21 hydrocarbon chains and fluorinated -O-CH2CF3 (FEE) versus nonfluorinated -O-CH2CH3 (EE) hydrophilic heads, whose opposite dipoles assist miscibility, in contrast to the equally oriented polar head dipoles of almost all natural or synthetic amphiphiles that minister to phase separation. Although two-component bulk micelles, lipid bilayers, and monolayers with fluorinated and nonfluorinated chains, which also have opposite dipoles, often show phase separation, we find complete miscibility and nonideality of the FEE-EE mixtures demonstrated via deviation of the composition dependencies of the mean molecular area at fixed surface pressure from the additivity rule. The composition dependencies of the excess molecular areas exhibit minima and maxima which show specific structural changes at particular compositions. They originate from the dipolar and steric interactions between the polar heads, because the interactions between the same chains of FEE and EE do not vary. The pi/A isotherms and the pi/X(FEE) phase diagram reveal that mixtures with molar fractions X(FEE) > or = 0.3 exist in an upright solid phase even in uncompressed state. This result is confirmed by the compressibility values and via Brewster angle microscopy, which does not show optical anisotropy at X(FEE) > or = 0.3. Comparison of the collapse and phase-transition molecular areas with literature data suggests that the upright architecture corresponds to LS-phase or S-phase with more defects as the S-phase in the pure monolayers. The mixtures with X(FEE) < 0.3 exist in tilted L2' phase at low surface pressures. Their mean molecular areas are smaller than the corresponding values in the EE film, which manifests reduction of the tilt of the EE chains with increasing FEE content. We ascribe the chain erection to partial dehydration of the EE heads caused by dipolar attraction between the EE and FEE heads. The excess free energy of mixing deltaG(exc)pi is positive but much smaller than the negative total free energy of mixing AG mix(pi) showing a spontaneous miscibility at all compositions due to an entropy increase. The analysis of the conflict between the deltaG(mix)pi minimum at molar fraction X(FEE) = 0.5 and the minimum and negative value of the excess molecular area A(pi,exc) at X(FEE) = 0.8 shows that the A(pi,exc)/X(FEE) minimum has not an electrostatic but a short-range structural origin.

Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guevara-Carrion, Gabriela; Janzen, Tatjana; Muñoz-Muñoz, Y. Mauricio

Mutual diffusion coefficients of all 20 binary liquid mixtures that can be formed out of methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride without a miscibility gap are studied at ambient conditions of temperature and pressure in the entire composition range. The considered mixtures show a varying mixing behavior from almost ideal to strongly non-ideal. Predictive molecular dynamics simulations employing the Green-Kubo formalism are carried out. Radial distribution functions are analyzed to gain an understanding of the liquid structure influencing the diffusion processes. It is shown that cluster formation in mixtures containing one alcoholic component has a significant impactmore » on the diffusion process. The estimation of the thermodynamic factor from experimental vapor-liquid equilibrium data is investigated, considering three excess Gibbs energy models, i.e., Wilson, NRTL, and UNIQUAC. It is found that the Wilson model yields the thermodynamic factor that best suits the simulation results for the prediction of the Fick diffusion coefficient. Four semi-empirical methods for the prediction of the self-diffusion coefficients and nine predictive equations for the Fick diffusion coefficient are assessed and it is found that methods based on local composition models are more reliable. Finally, the shear viscosity and thermal conductivity are predicted and in most cases favorably compared with experimental literature values.« less

COSOLVENCY AND SOPRTION OF HYDROPHOBIC ORGANIC CHEMICALS

EPA Science Inventory

Sorption of hydrophobic organic chemicals (HOCs) by two soils was measured from mixed solvents containing water plus completely miscible organic solvents (CMOSs) and partially miscible organic solvents (PMOSs). The utility of the log-linear cosolvency model for predicting HOC sor...

Influence of Surface Energy on Organic Alloy Formation in Ternary Blend Solar Cells Based on Two Donor Polymers.

PubMed

Gobalasingham, Nemal S; Noh, Sangtaik; Howard, Jenna B; Thompson, Barry C

2016-10-05

The compositional dependence of the open-circuit voltage (V oc ) in ternary blend bulk heterojunction (BHJ) solar cells is correlated with the miscibility of polymers, which may be influenced by a number of attributes, including crystallinity, the random copolymer effect, or surface energy. Four ternary blend systems featuring poly(3-hexylthiophene-co-3-(2-ethylhexyl)thiophene) (P3HT 75 -co-EHT 25 ), poly(3-hexylthiophene-co-(hexyl-3-carboxylate)), herein referred to as poly(3-hexylthiophene-co-3-hexylesterthiophene) (P3HT 50 -co-3HET 50 ), poly(3-hexylthiophene-thiophene-diketopyrrolopyrrole) (P3HTT-DPP-10%), and an analog of P3HTT-DPP-10% with 40% of 3-hexylthiophene exchanged for 2-(2-methoxyethoxy)ethylthiophen-2-yl (3MEO-T) (featuring an electronically decoupled oligoether side-chain), referred to as P3HTTDPP-MEO40%, are explored in this work. All four polymers are semicrystalline and rich in rr-P3HT content and perform well in binary devices with PC 61 BM. Except for P3HTTDPP-MEO40%, all polymers exhibit similar surface energies (∼21-22 mN/m). P3HTTDPP-MEO40% exhibits an elevated surface energy of around 26 mN/m. As a result, despite the similar optoelectronic properties and binary solar cell performance of P3HTTDPP-MEO40% compared to P3HTT-DPP-10%, the former exhibits a pinned V oc in two different sets of ternary blend devices. This is a stark contrast to previous rr-P3HT-based systems and demonstrates that surface energy, and its influence on miscibility, plays a critical role in the formation of organic alloys and can supersede the influence of crystallinity, the random copolymer effect, similar backbone structures, and HOMO/LUMO considerations. Therefore, we confirm surface energy compatibility as a figure-of-merit for predicting the compositional dependence of the V oc in ternary blend solar cells and highlight the importance of polymer miscibility in organic alloy formation.

MBSSAS: A code for the computation of margules parameters and equilibrium relations in binary solid-solution aqueous-solution systems

USGS Publications Warehouse

Glynn, P.D.

1991-01-01

The computer code MBSSAS uses two-parameter Margules-type excess-free-energy of mixing equations to calculate thermodynamic equilibrium, pure-phase saturation, and stoichiometric saturation states in binary solid-solution aqueous-solution (SSAS) systems. Lippmann phase diagrams, Roozeboom diagrams, and distribution-coefficient diagrams can be constructed from the output data files, and also can be displayed by MBSSAS (on IBM-PC compatible computers). MBSSAS also will calculate accessory information, such as the location of miscibility gaps, spinodal gaps, critical-mixing points, alyotropic extrema, Henry's law solid-phase activity coefficients, and limiting distribution coefficients. Alternatively, MBSSAS can use such information (instead of the Margules, Guggenheim, or Thompson and Waldbaum excess-free-energy parameters) to calculate the appropriate excess-free-energy of mixing equation for any given SSAS system. ?? 1991.

Time-of-flight expansion of binary Bose–Einstein condensates at finite temperature

NASA Astrophysics Data System (ADS)

Lee, K. L.; Jørgensen, N. B.; Wacker, L. J.; Skou, M. G.; Skalmstang, K. T.; Arlt, J. J.; Proukakis, N. P.

2018-05-01

Ultracold quantum gases provide a unique setting for studying and understanding the properties of interacting quantum systems. Here, we investigate a multi-component system of 87Rb–39K Bose–Einstein condensates (BECs) with tunable interactions both theoretically and experimentally. Such multi-component systems can be characterized by their miscibility, where miscible components lead to a mixed ground state and immiscible components form a phase-separated state. Here we perform the first full simulation of the dynamical expansion of this system including both BECs and thermal clouds, which allows for a detailed comparison with experimental results. In particular we show that striking features emerge in time-of-flight (TOF) for BECs with strong interspecies repulsion, even for systems which were separated in situ by a large gravitational sag. An analysis of the centre of mass positions of the BECs after expansion yields qualitative agreement with the homogeneous criterion for phase-separation, but reveals no clear transition point between the mixed and the separated phases. Instead one can identify a transition region, for which the presence of a gravitational sag is found to be advantageous. Moreover, we analyse the situation where only one component is condensed and show that the density distribution of the thermal component also shows some distinct features. Our work sheds new light on the analysis of multi-component systems after TOF and will guide future experiments on the detection of miscibility in these systems.

Effect of PEO molecular weight on the miscibility and dynamics in epoxy/PEO blends.

PubMed

Lu, Shoudong; Zhang, Rongchun; Wang, Xiaoliang; Sun, Pingchuan; Lv, Weifeng; Liu, Qingjie; Jia, Ninghong

2015-11-01

In this work, the effect of poly(ethylene oxide) (PEO) molecular weight in blends of epoxy (ER) and PEO on the miscibility, inter-chain weak interactions and local dynamics were systematically investigated by multi-frequency temperature modulation DSC and solid-state NMR techniques. We found that the molecular weight (M(w)) of PEO was a crucial factor in controlling the miscibility, chain dynamics and hydrogen bonding interactions between PEO and ER. A critical PEO molecular weight (M(crit)) around 4.5k was found. PEO was well miscible with ER when the molecular weight was below M(crit), where the chain motion of PEO was restricted due to strong inter-chain hydrogen bonding interactions. However, for the blends with high molecular weight PEO (M(w) > M(crit)), the miscibility between PEO and ER was poor, and most of PEO chains were considerably mobile. Finally, polarization inversion spin exchange at magic angle (PISEMA) solid-state NMR experiment further revealed the different mobility of the PEO in ER/PEO blends with different molecular weight of PEO at molecular level. Based on the DSC and NMR results, a tentative model was proposed to illustrate the miscibility in ER/PEO blends.

Property tuning of poly(lactic acid)/cellulose bio-composites through blending with modified ethylene-vinyl acetate copolymer.

PubMed

Pracella, Mariano; Haque, Md Minhaz-Ul; Paci, Massimo; Alvarez, Vera

2016-02-10

The effect of addition of an ethylene-vinyl acetate copolymer modified with glycidyl methacrylate (EVA-GMA) on the structure and properties of poly(lactic acid) (PLA) composites with cellulose micro fibres (CF) was investigated. Binary (PLA/CF) and ternary (PLA/EVA-GMA/CF) composites obtained by melt mixing in Brabender mixer were analysed by SEM, POM, WAXS, DSC, TGA and tensile tests. The miscibility and morphology of PLA/EVA-GMA blends were first examined as a function of composition: a large rise of PLA spherulite growth rate in the blends was discovered with increasing the EVA-GMA content (0-30 wt%) in the isothermal crystallization both from the melt and the solid state. PLA/EVA-GMA/CF ternary composites displayed improved adhesion and dispersion of fibres into the matrix as compared to PLA/CF system. Marked changes of thermodynamic and tensile parameters, as elastic modulus, strength and elongation at break were observed for the composites, depending on blend composition, polymer miscibility and fibre-matrix chemical interactions at the interface. Copyright © 2015 Elsevier Ltd. All rights reserved.

Stability of Cd 1–xZn xO yS 1–y Quaternary Alloys Assessed with First-Principles Calculations

DOE PAGES

Varley, Joel B.; He, Xiaoqing; Rockett, Angus; ...

2017-02-08

One route to decreasing the absorption in CdS buffer layers in Cu(In,Ga)Se 2 and Cu 2ZnSn(S,Se) 4 thin-film photovoltaics is by alloying. Here we use first-principles calculations based on hybrid functionals to assess the energetics and stability of quaternary Cd, Zn, O, and S (Cd 1–xZn xO yS 1–y) alloys within a regular solution model. Our results identify that full miscibility of most Cd 1–xZn xO yS 1–y compositions and even binaries like Zn(O,S) is outside typical photovoltaic processing conditions. Finally, the results suggest that the tendency for phase separation of the oxysulfides may drive the nucleation of other phasesmore » such as sulfates that have been increasingly observed in oxygenated CdS and ZnS.« less

Stability of Cd 1–xZn xO yS 1–y Quaternary Alloys Assessed with First-Principles Calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Varley, Joel B.; He, Xiaoqing; Rockett, Angus

One route to decreasing the absorption in CdS buffer layers in Cu(In,Ga)Se 2 and Cu 2ZnSn(S,Se) 4 thin-film photovoltaics is by alloying. Here we use first-principles calculations based on hybrid functionals to assess the energetics and stability of quaternary Cd, Zn, O, and S (Cd 1–xZn xO yS 1–y) alloys within a regular solution model. Our results identify that full miscibility of most Cd 1–xZn xO yS 1–y compositions and even binaries like Zn(O,S) is outside typical photovoltaic processing conditions. Finally, the results suggest that the tendency for phase separation of the oxysulfides may drive the nucleation of other phasesmore » such as sulfates that have been increasingly observed in oxygenated CdS and ZnS.« less

Lyotropic liquid crystal engineering moving beyond binary compositional space - ordered nanostructured amphiphile self-assembly materials by design.

PubMed

van 't Hag, Leonie; Gras, Sally L; Conn, Charlotte E; Drummond, Calum J

2017-05-22

Ordered amphiphile self-assembly materials with a tunable three-dimensional (3D) nanostructure are of fundamental interest, and crucial for progressing several biological and biomedical applications, including in meso membrane protein crystallization, as drug and medical contrast agent delivery vehicles, and as biosensors and biofuel cells. In binary systems consisting of an amphiphile and a solvent, the ability to tune the 3D cubic phase nanostructure, lipid bilayer properties and the lipid mesophase is limited. A move beyond the binary compositional space is therefore required for efficient engineering of the required material properties. In this critical review, the phase transitions upon encapsulation of more than 130 amphiphilic and soluble additives into the bicontinuous lipidic cubic phase under excess hydration are summarized. The data are interpreted using geometric considerations, interfacial curvature, electrostatic interactions, partition coefficients and miscibility of the alkyl chains. The obtained lyotropic liquid crystal engineering design rules can be used to enhance the formulation of self-assembly materials and provides a large library of these materials for use in biomedical applications (242 references).

Phase Behavior in Blends of Asymmetrical Polyolefins

NASA Astrophysics Data System (ADS)

Nedoma, Alisyn Jenise

This dissertation presents the most comprehensive study of chi to date for a single pair of homopolymers. Polyisobutylene (component B) and deuterated polybutadiene with 63 % 1,2 addition (component C) were selected for this study because they exhibit a large window of miscibility and may be tailored to cross the spinodal at experimentally accessible temperatures. Binary blends were designed across a range of values for NB/ NC and the composition of the blend, φB, to study the effect of these parameters on the measured value, chi sc. In addition to the strict temperature dependence presumed for chi, this study documented a composition and molecular weight dependence. The empirical expression for chisc, measured using small angle neutron scattering, was three times more dependent on composition then the expression for chi used to predict thermodynamic behavior. Despite this three-fold diminished dependence on φB, the composition-dependent chi profoundly affected the phase behavior of binary blends. A range of values was studied for NB/ NC ≤ 1, and in all cases φB,cirt was found to be < 0.5, in stark contrast to the expectation of Flory-Huggins Theory that φB,crit ≥ 0.5. This effect was shown to result from the combined effects of a composition-dependent chi and N B/NC removed from values of 1. Remarkable agreement was obtained between the predicted phase diagrams and measured phase transitions, over a range of values for NB/ NC and φB, by accounting for the composition and molecular weight dependence of chi. The miscibility of binary B/C blends was used as the basis for designing a diblock copolymer (component A-C) to order immiscible binary blends of polyisobutylene and deuterated polybutadiene with 89 % 1,2 addition (component A). The copolymer comprised one block chemically identical to component C (miscible in component B) and one block chemically identical to component A. This is in contrast to the majority of ternary blend studies which comprise A/B/A-B polymer systems with neutral interactions between each homopolymer and the corresponding block of the diblock copolymer. Ternary A/B/A-C blends exhibit a favorable interaction between the B homopolymer and C block, demonstrated by the miscibility of B/C blends. The A-C diblock copolymer surfactant can produce microstructures when added to A/B blends at much lower concentrations of copolymer than for an analagous A-B copolymer. This dissertation introduces the use of lamellar structure factor that fits scattering profiles unsuitable for the microemulsion fit. In addition, the lamellar fits include as adjustable parameters the size of each microdomain and corresponding interfacial width. These fit values agree quantitatively with independently generated predictions using self-consistent field theory, indicating a broad understanding of the physical parameters that affect thermodynamic behavior in the A/B/A-C system studied. This dissertation presents a study for which the concentration of diblock copolymer was fixed and the composition of the A and B homopolymers was systematically varied across a range of compositions including φA,crit. The experiment corresponded to tracing the copolymer isopleth on a ternary phase prism. Theoretical groups have predicted a rich phase behavior along the isopleth for similar ternary systems, however, the observed phase behavior was quantitatively identical for all blends studied. Self-consistent field theory predictions agreed with fit values of the domain spacing and microdomain widths. There was no discernible correlation between φA and phase behavior. This finding, and that of the study with critical A/B/A-C blends, together suggest that NA/NB correlates strongly with the phase behavior of a blend, while φ A does not. This relationship, captured by mean-field theory, provides a simple method for tuning the phase behavior of polymer nanocomposites without using additional surfactant. (Abstract shortened by UMI.)

A smoothed particle hydrodynamics model for miscible flow in three-dimensional fractures and the two-dimensional Rayleigh–Taylor instability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tartakovsky, Alexandre M.; Meakin, Paul

2005-08-10

A numerical model based on smoothed particle hydrodynamics (SPH) has been developed and used to simulate the classical two-dimensional Rayleigh–Taylor instability and three-dimensional miscible flow in fracture apertures with complex geometries. To model miscible flow fluid particles with variable, composition dependent, masses were used. By basing the SPH equations on the particle number density artificial surface tension effects were avoided. The simulation results for the growth of a single perturbation driven by the Rayleigh – Taylor instability compare well with numerical results obtained by Fournier et al., and the growth of a perturbation with time can be represented quite wellmore » by a second-degree polynomial, in accord with the linear stability analysis of Duff et al. The dispersion coefficient found from SPH simulation of flow and diffusion in an ideal fracture was in excellent agreement with the value predicted by the theory of Taylor and Aris. The simulations of miscible flow in fracture apertures can be used to determination dispersion coefficients for transport in fractured media - a parameter used in large-scale simulations of contaminant transport.« less

Phase-field modeling of mixing/demixing of regular binary mixtures with a composition-dependent viscosity

NASA Astrophysics Data System (ADS)

Lamorgese, A.; Mauri, R.

2017-04-01

We simulate the mixing (demixing) process of a quiescent binary liquid mixture with a composition-dependent viscosity which is instantaneously brought from the two-phase (one-phase) to the one-phase (two-phase) region of its phase diagram. Our theoretical approach follows a standard diffuse-interface model of partially miscible regular binary mixtures wherein convection and diffusion are coupled via a nonequilibrium capillary force, expressing the tendency of the phase-separating system to minimize its free energy. Based on 2D simulation results, we discuss the influence of viscosity ratio on basic statistics of the mixing (segregation) process triggered by a rapid heating (quench), assuming that the ratio of capillary to viscous forces (a.k.a. the fluidity coefficient) is large. We show that, for a phase-separating system, at a fixed value of the fluidity coefficient (with the continuous phase viscosity taken as a reference), the separation depth and the characteristic length of single-phase microdomains decrease monotonically for increasing values of the viscosity of the dispersed phase. This variation, however, is quite small, in agreement with experimental results. On the other hand, as one might expect, at a fixed viscosity of the dispersed phase both of the above statistics increase monotonically as the viscosity of the continuous phase decreases. Finally, we show that for a mixing system the attainment of a single-phase equilibrium state by coalescence and diffusion is retarded by an increase in the viscosity ratio at a fixed fluidity for the dispersed phase. In fact, for large enough values of the viscosity ratio, a thin film of the continuous phase becomes apparent when two drops of the minority phase approach each other, which further retards coalescence.

Critical conditions for the buoyancy-driven detachment of a wall-bound pendant drop

NASA Astrophysics Data System (ADS)

Lamorgese, A.; Mauri, R.

2016-03-01

We investigate numerically the critical conditions for detachment of an isolated, wall-bound emulsion droplet acted upon by surface tension and wall-normal buoyancy forces alone. To that end, we present a simple extension of a diffuse-interface model for partially miscible binary mixtures that was previously employed for simulating several two-phase flow phenomena far and near the critical point [A. G. Lamorgese et al. "Phase-field approach to multiphase flow modeling," Milan J. Math. 79(2), 597-642 (2011)] to allow for static contact angles other than 90°. We use the same formulation of the Cahn boundary condition as first proposed by Jacqmin ["Contact-line dynamics of a diffuse fluid interface," J. Fluid Mech. 402, 57-88 (2000)], which accommodates a cubic (Hermite) interpolation of surface tensions between the wall and each phase at equilibrium. We show that this model can be successfully employed for simulating three-phase contact line problems in stable emulsions with nearly immiscible components. We also show a numerical determination of critical Bond numbers as a function of static contact angle by phase-field simulation.

Miscibility of amorphous ZrO2-Al2O3 binary alloy

NASA Astrophysics Data System (ADS)

Zhao, C.; Richard, O.; Bender, H.; Caymax, M.; De Gendt, S.; Heyns, M.; Young, E.; Roebben, G.; Van Der Biest, O.; Haukka, S.

2002-04-01

Miscibility is a key factor for maintaining the homogeneity of the amorphous structure in a ZrO2-Al2O3 binary alloy high-k dielectric layer. In the present work, a ZrO2/Al2O3 laminate thin layer has been prepared by atomic layer chemical vapor deposition on a Si (100) wafer. This layer, with artificially induced inhomogeneity (lamination), enables one to study the change in homogeneity of the amorphous phase in the ZrO2/Al2O3 system during annealing. High temperature grazing incidence x-ray diffraction (HT-XRD) was used to investigate the change in intensity of the constructive interference peak of the x-ray beams which are reflected from the interfaces of ZrO2/Al2O3 laminae. The HT-XRD spectra show that the intensity of the peak decreases with an increase in the anneal temperature, and at 800 °C, the peak disappears. The same samples were annealed by a rapid thermal process (RTP) at temperatures between 700 and 1000 °C for 60 s. Room temperature XRD of the RTP annealed samples shows a similar decrease in peak intensity. Transmission electronic microscope images confirm that the laminate structure is destroyed by RTP anneals and, just below the crystallization onset temperature, a homogeneous amorphous ZrAlxOy phase forms. The results demonstrate that the two artificially separated phases, ZrO2 and Al2O3 laminae, tend to mix into a homogeneous amorphous phase before crystallization. This observation indicates that the thermal stability of ZrO2-Al2O3 amorphous phase is suitable for high-k applications.

Control of viscous fingering by nanoparticles

NASA Astrophysics Data System (ADS)

Sabet, Nasser; Hassanzadeh, Hassan; Abedi, Jalal

2017-12-01

A substantial viscosity increase by the addition of a low dose of nanoparticles to the base fluids can well influence the dynamics of viscous fingering. There is a lack of detailed theoretical studies that address the effect of the presence of nanoparticles on unstable miscible displacements. In this study, the impact of nonreactive nanoparticle presence on the stability and subsequent mixing of an originally unstable binary system is examined using linear stability analysis (LSA) and pseudospectral-based direct numerical simulations (DNS). We have parametrized the role of both nondepositing and depositing nanoparticles on the stability of miscible displacements using the developed static and dynamic parametric analyses. Our results show that nanoparticles have the potential to weaken the instabilities of an originally unstable system. Our LSA and DNS results also reveal that nondepositing nanoparticles can be used to fully stabilize an originally unstable front while depositing particles may act as temporary stabilizers whose influence diminishes in the course of time. In addition, we explain the existing inconsistencies concerning the effect of the nanoparticle diffusion coefficient on the dynamics of the system. This study provides a basis for further research on the application of nanoparticles for control of viscosity-driven instabilities.

Small Angle Neutron Scattering Studies on Blends of Poly (Styrene-ran-Vinyl Phenol) with Liquid Crystalline Polyurethane

NASA Astrophysics Data System (ADS)

Mehta, Rujul

2005-03-01

Molecular composites, composed of uniformly dispersed rigid-rod liquid crystalline polymer (LCP) molecules in a flexible amorphous polymer matrix, have remained hitherto elusive due to a scarcity of miscible systems containing a LCP and an amorphous polymer. The production of such a blend, with an experimentally accessible miscibility window, has become possible by modifying the architecture of the flexible polymer, so as to induce favorable intermolecular hydrogen bonding. Specifically, liquid crystalline polyurethanes (LCPU) are found to be miscible with a copolymer of styrene and vinyl phenol; with optimum hydrogen bonding between the carbonyl groups of the urethane linkages and the hydroxyl groups present in the styrenic matrix. Availability of a truly miscible molecular composite presents a unique opportunity of studying the confirmation of polymer chains containing rigid-rods that are uniformly dispersed in a flexible coil matrix. A system consisting of the LCPU and the deuterated styrenic copolymer containing 20% vinyl phenol is examined by Small Angle Neutron Scattering at the National Center for Neutron Research at Gaithersburg and Technology, and the Institute of Solid State Research (IFF) at Jülich. Scattering curves for neat dPS-VPh did not fit the Debye-Bueche model; indicating complex structure. A two correlation length Debye-Bueche model was considered to accommodate for this nonlinear behavior. This model utilizes four fitting parameters, including two correlation lengths a1 and a2, corresponding to a Debye-Bueche model and Guinier model.

Low Mach number fluctuating hydrodynamics of multispecies liquid mixtures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Donev, Aleksandar, E-mail: donev@courant.nyu.edu; Bhattacharjee, Amit Kumar; Nonaka, Andy

We develop a low Mach number formulation of the hydrodynamic equations describing transport of mass and momentum in a multispecies mixture of incompressible miscible liquids at specified temperature and pressure, which generalizes our prior work on ideal mixtures of ideal gases [Balakrishnan et al., “Fluctuating hydrodynamics of multispecies nonreactive mixtures,” Phys. Rev. E 89 013017 (2014)] and binary liquid mixtures [Donev et al., “Low mach number fluctuating hydrodynamics of diffusively mixing fluids,” Commun. Appl. Math. Comput. Sci. 9(1), 47-105 (2014)]. In this formulation, we combine and extend a number of existing descriptions of multispecies transport available in the literature. Themore » formulation applies to non-ideal mixtures of arbitrary number of species, without the need to single out a “solvent” species, and includes contributions to the diffusive mass flux due to gradients of composition, temperature, and pressure. Momentum transport and advective mass transport are handled using a low Mach number approach that eliminates fast sound waves (pressure fluctuations) from the full compressible system of equations and leads to a quasi-incompressible formulation. Thermal fluctuations are included in our fluctuating hydrodynamics description following the principles of nonequilibrium thermodynamics. We extend the semi-implicit staggered-grid finite-volume numerical method developed in our prior work on binary liquid mixtures [Nonaka et al., “Low mach number fluctuating hydrodynamics of binary liquid mixtures,” http://arxiv.org/abs/1410.2300 (2015)] and use it to study the development of giant nonequilibrium concentration fluctuations in a ternary mixture subjected to a steady concentration gradient. We also numerically study the development of diffusion-driven gravitational instabilities in a ternary mixture and compare our numerical results to recent experimental measurements [Carballido-Landeira et al., “Mixed-mode instability of a miscible interface due to coupling between Rayleigh–Taylor and double-diffusive convective modes,” Phys. Fluids 25, 024107 (2013)] in a Hele-Shaw cell. We find that giant nonequilibrium fluctuations can trigger the instability but are eventually dominated by the deterministic growth of the unstable mode, in both quasi-two-dimensional (Hele-Shaw) and fully three-dimensional geometries used in typical shadowgraph experiments.« less

First-principles prediction of stabilities and instabilities of compounds and alloys in the ternary B-As-P system

NASA Astrophysics Data System (ADS)

Ektarawong, A.; Simak, S. I.; Alling, B.

2017-07-01

We examine the thermodynamic stability of compounds and alloys in the ternary B-As-P system theoretically using first-principles calculations. We demonstrate that the icosahedral B12As2 is the only stable compound in the binary B-As system, while the zinc-blende BAs is thermodynamically unstable with respect to B12As2 and the pure arsenic phase at 0 K, and increasingly so at higher temperature, suggesting that BAs may merely exist as a metastable phase. On the contrary, in the binary B-P system, both zinc-blende BP and icosahedral B12P2 are predicted to be stable. As for the binary As-P system, As1 -xPx disordered alloys are predicted at elevated temperature—for example, a disordered solid solution of up to ˜75 at.% As in black phosphorus as well as a small solubility of ˜1 at.% P in gray arsenic at T =750 K, together with the presence of miscibility gaps. The calculated large solubility of As in black phosphorus explains the experimental syntheses of black-phosphorus-type As1 -xPx alloys with tunable compositions, recently reported in the literature. We investigate the phase stabilities in the ternary B-As-P system and demonstrate a high tendency for a formation of alloys in the icosahedral B12(As1 -xPx )2 structure by intermixing of As and P atoms at the diatomic chain sites. The phase diagram displays noticeable mutual solubility of the icosahedral subpnictides in each other even at room temperature as well as a closure of a pseudobinary miscibility gap around 900 K. As for pseudobinary BAs1 -xPx alloys, only a tiny amount of BAs is predicted to be able to dissolve in BP to form the BAs1 -xPx disordered alloys at elevated temperature. For example, less than 5% of BAs can dissolve in BP at T =1000 K. The small solubility limit of BAs in BP is attributed to the thermodynamic instability of BAs with respect to B12As2 and As.

Theoretical and experimental investigation of drug-polymer interaction and miscibility and its impact on drug supersaturation in aqueous medium.

PubMed

Baghel, Shrawan; Cathcart, Helen; O'Reilly, Niall J

2016-10-01

Amorphous solid dispersions (ASDs) have the potential to offer higher apparent solubility and bioavailability of BCS class II drugs. Knowledge of the solid state drug-polymer solubility/miscibility and their mutual interaction are fundamental requirements for the effective design and development of such systems. To this end, we have carried out a comprehensive investigation of various ASD systems of dipyridamole and cinnarizine in polyvinylpyrrolidone (PVP) and polyacrylic acid (PAA) at different drug loadings. Theoretical and experimental examinations (by implementing binary and ternary Flory-Huggins (F-H) theory) related to drug-polymer interaction/miscibility including solubility parameter approach, melting point depression method, phase diagram, drug-polymer interaction in the presence of moisture and the effect of drug loading on interaction parameter were performed. The information obtained from this study was used to predict the stability of ASDs at different drug loadings and under different thermal and moisture conditions. Thermal and moisture sorption analysis not only provided the composition-dependent interaction parameter but also predicted the composition dependent miscibility. DPM-PVP, DPM-PAA and CNZ-PAA systems have shown molecular level mixing over the complete range of drug loading. For CNZ-PVP, the presence of a single Tg at lower drug loadings (10, 20 and 35%w/w) indicates the formation of solid solution. However, drug recrystallization was observed for samples with higher drug weight fractions (50 and 65%w/w). Finally, the role of polymer in maintaining drug supersaturation has also been explored. It has been found that drug-polymer combinations capable of hydrogen-bonding in the solution state (DPM-PVP, DPM-PAA and CNZ-PAA) are more effective in preventing drug crystallization compared to the drug-polymer systems without such interaction (CNZ-PVP). The DPM-PAA system outperformed all other ASDs in various stability conditions (dry-state, in the presence of moisture and in solution state), which was attributed to the drug's low crystallization tendency, the strong DPM-PAA interaction, the robustness of this interaction against moisture or water and the ability of PAA in maintaining DPM supersaturation. Copyright © 2016 Elsevier B.V. All rights reserved.

Increased physical stability and improved dissolution properties of itraconazole, a class II drug, by solid dispersions that combine fast- and slow-dissolving polymers.

PubMed

Six, Karel; Verreck, Geert; Peeters, Jef; Brewster, Marcus; Van Den Mooter, Guy

2004-01-01

Solid dispersions were prepared of itraconazole-Eudragit E100, itraconazole-PVPVA64, and itraconazole-Eudragit E100/PVPVA64 using a corotating twin-screw hot-stage extruder. Modulated temperature differential scanning calorimetry (MTDSC) was used to evaluate the miscibility of the extrudates, and dissolution experiments were performed in simulated gastric fluid without pepsin (SGF(sp)). Itraconazole and Eudragit E100 are miscible up to 13% w/w drug loading. From that concentration on, phase separation is observed. Pharmaceutical performance of this dispersion was satisfactory because 80% of the drug dissolved after 30 min. Extrudates of itraconazole and PVPVA64 were completely miscible but the pharmaceutical performance was low, with 45% of drug dissolved after 3 h. Combination of both polymers in different ratios, with a fixed drug loading of 40% w/w, was evaluated. MTDSC results clearly indicated a two-phase system consisting of itraconazole-Eudragit E100 and itraconazole-PVPVA64 phases. In these extrudates, no free crystalline or glassy clusters of itraconazole were observed; all itraconazole was mixed with one of both polymers. The pharmaceutical performance was tested in SGF(sp) for different polymer ratios, and Eudragit E100/PVPVA64 ratios of 50/50 and 60/40 showed significant increases in dissolution rate and level. Polymer ratios of 70/30 and 80/20, on the other hand, had a release of 85% after 30 min. Precipitation of the drug was never observed. The combination of the two polymers provides a solid dispersion with good dissolution properties and improved physical stability compared with the binary solid dispersions of itraconazole. Copyright 2004 Wiley-Liss, Inc.

A test-tube model for rainfall

NASA Astrophysics Data System (ADS)

Wilkinson, Michael

2014-05-01

If the temperature of a cell containing two partially miscible liquids is changed very slowly, so that the miscibility is decreased, microscopic droplets nucleate, grow and migrate to the interface due to their buoyancy. The system may show an approximately periodic variation of the turbidity of the mixture, as the mean droplet size fluctuates. These precipitation events are analogous to rainfall. This paper considers a theoretical model for these experiments. After nucleation the initial growth is by Ostwald ripening, followed by a finite-time runaway growth of droplet sizes due to larger droplets sweeping up smaller ones. The model predicts that the period \\Delta t and the temperature sweep rate ξ are related by \\Delta t\\sim C \\xi^{-3/7} , and is in good agreement with experiments. The coefficient C has a power-law divergence approaching the critical point of the miscibility transition: C\\sim (T-T_{\\text{c}})^{-\\eta} , and the critical exponent η is determined. It is argued that while the mechanism does not provide a quantitative description of terrestrial rainfall, it may be a faithful model for precipitation on other planets.

Efficient capture of SO2 by a binary mixture of caprolactam tetrabutyl ammonium bromide ionic liquid and water.

PubMed

Duan, Erhong; Guo, Bin; Zhang, Miaomiao; Guan, Yanan; Sun, Hua; Han, Jing

2011-10-30

The solubility of SO(2) in a binary mixture of water and caprolactam tetrabutyl ammonium bromide ionic liquid (CPL-TBAB IL) was investigated. Though the ionic liquid and water were fully miscible, a phase separation occurred when SO(2) was introduced into the mixture. The SO(2) concentrated in the lower layer, and it could be released by heating the solution under reduced pressure (382.2K, 10.1 kPa). After desorption, the mixture could be reused to absorb SO(2). It was found that SO(2) acts as a switch to cause the water and CPL-TBAB IL to phase separate, and the mechanics of this phase separation process was studied by gas chromatography-mass spectrometry, fourier transform-infrared spectroscopy and Karl-Fisher titration. The absorption and desorption of SO(2) in the CPL-TBAB/water mixtures were reversible. Copyright © 2011 Elsevier B.V. All rights reserved.

Polymer-fullerene miscibility: a metric for screening new materials for high-performance organic solar cells.

PubMed

Treat, Neil D; Varotto, Alessandro; Takacs, Christopher J; Batara, Nicolas; Al-Hashimi, Mohammed; Heeney, Martin J; Heeger, Alan J; Wudl, Fred; Hawker, Craig J; Chabinyc, Michael L

2012-09-26

The improvement of the power conversion efficiency (PCE) of polymer bulk heterojunction (BHJ) solar cells has generally been achieved through synthetic design to control frontier molecular orbital energies and molecular ordering of the electron-donating polymer. An alternate approach to control the PCE of a BHJ is to tune the miscibility of the fullerene and a semiconducting polymer by varying the structure of the fullerene. The miscibility of a series of 1,4-fullerene adducts in the semiconducting polymer, poly(3-hexylselenophene), P3HS, was measured by dynamic secondary ion mass spectrometry using a model bilayer structure. The microstructure of the bilayer was investigated using high-angle annular dark-field scanning transmission microscopy and linked to the polymer-fullerene miscibility. Finally, P3HS:fullerene BHJ solar cells were fabricated from each fullerene derivative, enabling the correlation of the active layer microstructure to the charge collection efficiency and resulting PCE of each system. The volume fraction of polymer-rich, fullerene-rich, and polymer-fullerene mixed domains can be tuned using the miscibility leading to improvement in the charge collection efficiency and PCE in P3HS:fullerene BHJ solar cells. These results suggest a rational approach to the design of fullerenes for improved BHJ solar cells.

Solid-state dewetting of magnetic binary multilayer thin films

NASA Astrophysics Data System (ADS)

Esterina, Ria; Liu, X. M.; Adeyeye, A. O.; Ross, C. A.; Choi, W. K.

2015-10-01

We examined solid-state dewetting behavior of magnetic multilayer thin film in both miscible (CoPd) and immiscible (CoAu) systems and found that CoPd and CoAu dewetting stages follow that of elemental materials. We established that CoPd alloy morphology and dewetting rate lie in between that of the elemental materials. Johnson-Mehl-Avrami analysis was utilized to extract the dewetting activation energy of CoPd. For CoAu, Au-rich particles and Co-rich particles are distinguishable and we are able to predict the interparticle spacings and particle densities for the particles that agree well with the experimental results. We also characterized the magnetic properties of CoPd and CoAu nanoparticles.

Multiphase flow of miscible liquids: jets and drops

NASA Astrophysics Data System (ADS)

Walker, Travis W.; Logia, Alison N.; Fuller, Gerald G.

2015-05-01

Drops and jets of liquids that are miscible with the surrounding bulk liquid are present in many processes from cleaning surfaces with the aid of liquid soaps to the creation of biocompatible implants for drug delivery. Although the interactions of immiscible drops and jets show similarities to miscible systems, the small, transient interfacial tension associated with miscible systems create distinct outcomes such as intricate droplet shapes and breakup resistant jets. Experiments have been conducted to understand several basic multiphase flow problems involving miscible liquids. Using high-speed imaging of the morphological evolution of the flows, we have been able to show that these processes are controlled by interfacial tensions. Further multiphase flows include investigating miscible jets, which allow the creation of fibers from inelastic materials that are otherwise difficult to process due to capillary breakup. This work shows that stabilization from the diminishing interfacial tensions of the miscible jets allows various elongated morphologies to be formed.

Metastable liquid lamellar structures in binary and ternary mixtures of Lennard-Jones fluids

NASA Astrophysics Data System (ADS)

Díaz-Herrera, Enrique; Ramírez-Santiago, Guillermo; Moreno Razo, José A.

2004-03-01

We have carried out extensive equilibrium MD simulations to investigate the Liquid-Vapor coexistence in partially miscible binary and ternary mixtures LJ fluids. We have studied in detail the time evolution of the density profiles and the interfacial properties in a temperature region of the phase diagram where the condensed phase is demixed. The composition of the mixtures are fixed, 50% for the binary mixture and 33.33% for the ternary mixture. The results of the simulations clearly indicate that in the range of temperatures 78 < T < 102 ^oK,--in the scale of argon-- the system evolves towards a metastable alternated liquid-liquid lamellar state in coexistence with its vapor phase. These states can be achieved if the initial configuration is fully disordered, that is, when the particles of the fluids are randomly placed on the sites of an FCC crystal or the system is completely mixed. As temperature decreases these states become very well defined and more stable in time. We find that below 90 ^oK, the alternated liquid-liquid lamellar state remains alive for 80 ns, in the scale of argon, the longest simulation we have carried out. Nonetheless, we believe that in this temperature region these states will be alive for even much longer times.

Miscibility and Morphology of Poly(lactic ACID)/POLY(Β-HYDROXYBUTYRATE) Blends

NASA Astrophysics Data System (ADS)

Tri Phuong, Nguyen; Guinault, Alain; Sollogoub, Cyrille

2011-01-01

The miscibility and morphology of poly(lactic)acid (PLA)/polyβ-hydroxybutyrate (PHB) prepared by melt blending method were investigated by Fourier transform infrared (FTIR), Differential scanning calorimetry (DSC), melt rheology and scanning electron microscopy (SEM) observations. FTIR and DSC methods present some limits to examine the miscibility state of PLA/PHB blends. This drawback can be overcome with the Cole-Cole method by observing the η" = f(η') curves to confirm the miscibility of semicrystalline PLA/ semicrystalline PHB blends. MEB micrographs of fractured surface of blends were also used to investigate the miscibility of these blends.

Accuracy Test of the OPLS-AA Force Field for Calculating Free Energies of Mixing and Comparison with PAC-MAC

PubMed Central

2017-01-01

We have calculated the excess free energy of mixing of 1053 binary mixtures with the OPLS-AA force field using two different methods: thermodynamic integration (TI) of molecular dynamics simulations and the Pair Configuration to Molecular Activity Coefficient (PAC-MAC) method. PAC-MAC is a force field based quasi-chemical method for predicting miscibility properties of various binary mixtures. The TI calculations yield a root mean squared error (RMSE) compared to experimental data of 0.132 kBT (0.37 kJ/mol). PAC-MAC shows a RMSE of 0.151 kBT with a calculation speed being potentially 1.0 × 104 times greater than TI. OPLS-AA force field parameters are optimized using PAC-MAC based on vapor–liquid equilibrium data, instead of enthalpies of vaporization or densities. The RMSE of PAC-MAC is reduced to 0.099 kBT by optimizing 50 force field parameters. The resulting OPLS-PM force field has a comparable accuracy as the OPLS-AA force field in the calculation of mixing free energies using TI. PMID:28418655

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

NASA Astrophysics Data System (ADS)

Kou, Jisheng; Sun, Shuyu

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng-Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from the microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young-Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young-Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young-Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kou, Jisheng; Sun, Shuyu, E-mail: shuyu.sun@kaust.edu.sa; School of Mathematics and Statistics, Xi'an Jiaotong University, Xi'an 710049

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng–Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from themore » microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young–Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young–Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young–Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.« less

Elasticity Dominated Surface Segregation of Small Molecules in Polymer Mixtures

NASA Astrophysics Data System (ADS)

Krawczyk, Jarosław; Croce, Salvatore; McLeish, T. C. B.; Chakrabarti, Buddhapriya

2016-05-01

We study the phenomenon of migration of the small molecular weight component of a binary polymer mixture to the free surface using mean field and self-consistent field theories. By proposing a free energy functional that incorporates polymer-matrix elasticity explicitly, we compute the migrant volume fraction and show that it decreases significantly as the sample rigidity is increased. A wetting transition, observed for high values of the miscibility parameter can be prevented by increasing the matrix rigidity. Estimated values of the bulk modulus suggest that the effect should be observable experimentally for rubberlike materials. This provides a simple way of controlling surface migration in polymer mixtures and can play an important role in industrial formulations, where surface migration often leads to decreased product functionality.

Insight into the Am-O Phase Equilibria: A Thermodynamic Study Coupling High-Temperature XRD and CALPHAD Modeling.

PubMed

Epifano, Enrica; Guéneau, Christine; Belin, Renaud C; Vauchy, Romain; Lebreton, Florent; Richaud, Jean-Christophe; Joly, Alexis; Valot, Christophe; Martin, Philippe M

2017-07-03

In the frame of minor actinide transmutation, americium can be diluted in UO 2 and (U, Pu)O 2 fuels burned in fast neutron reactors. The first mandatory step to foresee the influence of Am on the in-reactor behavior of transmutation targets or fuel is to have fundamental knowledge of the Am-O binary system and, in particular, of the AmO 2-x phase. In this study, we coupled HT-XRD (high-temperature X-ray diffraction) experiments with CALPHAD thermodynamic modeling to provide new insights into the structural properties and phase equilibria in the AmO 2-x -AmO 1.61+x -Am 2 O 3 domain. Because of this approach, we were able for the first time to assess the relationships between temperature, lattice parameter, and hypostoichiometry for fcc AmO 2-x . We showed the presence of a hyperstoichiometric existence domain for the bcc AmO 1.61+x phase and the absence of a miscibility gap in the fcc AmO 2-x phase, contrary to previous representations of the phase diagram. Finally, with the new experimental data, a new CALPHAD thermodynamic model of the Am-O system was developed, and an improved version of the phase diagram is presented.

Computer-aided method for the determination of Hansen solubility parameters. Application to the miscibility of refrigerating lubricant and new refrigerant

DOE Office of Scientific and Technical Information (OSTI.GOV)

Remigy, J.C.; Nakache, E.; Brechot, P.D.

This article presents a method which allows one to find the Hansen solubility parameters by means of data processing. In the first part, the authors present the thermodynamical principle of Hansen parameters, and then they explain the model used to find parameters from experimental data. They validate the method by studying the solubility parameters of CFC-12 (dichlorodifluoromethane), HFC-134a (1,1,1,2-tetrafluoroethane), neopentylglycol esters, trimethylolpropane esters, dipentaerythritol esters, and pentaerythritol esters. Then, the variation of Hansen parameters are studied as well as the relation between the miscibility temperature (the temperature at which a blend passes from the miscible state to the immiscible state)more » and the interaction distance. The authors establish the critical interaction distance of HFC-134a which determines the solubility limit and they study its variation with temperature.« less

Liquid crystalline composites toward organic photovoltaic application (Conference Presentation)

NASA Astrophysics Data System (ADS)

Shimizu, Yo; Sosa-Vargas, Lydia; Shin, Woong; Higuchi, Yumi; Itani, Hiromichi; Kawano, Koki; Dao, Quang Duy; Fujii, Akihiko; Ozaki, Masanori

2017-02-01

Liquid crystalline semiconductor is an interesting category of organic electronic materials and also has been extensively studied in terms of "Printed Electronics". For the wider diversity in research toward new applications, one can consider how to use a combination of miscibility and phase separation in liquid crystals. Here we report discotic liquid crystals in making a composite of which structural order is controlled in nano-scale toward photovoltaic applications. Discotic columnar LCs were studied on their resultant molecular order and carrier transport properties. Liquid crystals of phthalocyanine and its analogues which exhibit columnar mesomorphism with high carrier mobility (10-1 cm2/Vs) were examined with making binary phase diagrams and the correlation to carrier transport properties by TOF measurements was discussed. The shape-analogues in chemical structure shows a good miscibility even for the different lattice-type of columnar arrangement and the carrier mobility is mostly decrease except for a case of combination with a metal-free and the metal complex. For the mixtures with non-mesogenic C60 derivatives, one sees a phase-separated structure due to its immiscibility, though the columnar order is remained in a range of component ratio.Especially, in a range of the ratio, it was observed the phase separated C60 derivatives are fused into the matrix of columnar bundles, indicating C60 derivatives could be diffused in columnar arrays in molecular level.

Scaled equation of state parameters for gases in the critical region

NASA Technical Reports Server (NTRS)

Sengers, J. M. H. L.; Greer, W. L.; Sengers, J. V.

1976-01-01

In the light of recent theoretical developments, the paper presents an accurate characterization of anomalous thermodynamic behavior of xenon, helium 4, helium 3, carbon dioxide, steam and oxygen in the critical region. This behavior is associated with long range fluctuations in the system and the physical properties depend primarily on a single variable, namely, the correlation length. A description of the thermodynamic behavior of fluids in terms of scaling laws is formulated, and the two successfully used scaled equations of state (NBS equation and Linear Model parametric equation) are compared. Methods for fitting both equations to experimental equation of state data are developed and formulated, and the optimum fit for each of the two scaled equations of the above gases are presented and the results are compared. By extending the experimental data for the above one-component fluids to partially miscible binary liquids, superfluid liquid helium, ferromagnets and solids exhibiting order-disorder transitions, the principle of universality is concluded. Finally by using this principle, the critical regions for nine additional fluids are described.

Dielectric, ferroelectric, and thermodynamic properties of silicone oil modified PVDF films for energy storage application

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Bingcheng; Wang, Xiaohui, E-mail: wxh@tsinghua.edu.cn, E-mail: llt-dms@mail.tsinghua.edu.cn; Li, Longtu, E-mail: wxh@tsinghua.edu.cn, E-mail: llt-dms@mail.tsinghua.edu.cn

Silicone oil modified poly(vinylidene fluoride-co-hexafluoropropylene) (P(VDF-HFP)) films were fabricated by the blending, casting, and hot-molding methods. The dielectric constant was increased for the 7.4 wt. % and 17.0 wt. % silicone oil modified P(VDF-HFP) films, while the dielectric loss for all blend films are decreased. D-E loops of 7.4 wt. % and 17.0 wt. % silicone oil modified P(VDF-HFP) films become slimmer than the pristine P(VDF-HFP) films. The maximum discharged energy density of 10.3 J/cm{sup 3} was obtained in 7.4 wt. % silicone oil modified P(VDF-HFP) films at the external electric field of 398 kV/mm. The Gibbs energy, miscibility, and phase behavior of binary mixture of P(VDF-HFP) silicone oil were investigated usingmore » molecular simulations and the extended Flory–Huggins model revealing favorable interactions and compatibility between P(VDF-HFP) and silicone oil.« less

Post Waterflood CO2 Miscible Flood in Light Oil, Fluvial-Dominated Deltaic Reservoir, Class I

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bou-Mikael, Sami

This report demonstrates the effectiveness of the CO2 miscible process in Fluvial Dominated Deltaic reservoirs. It also evaluated the use of horizontal CO2 injection wells to improve the overall sweep efficiency. A database of FDD reservoirs for the gulf coast region was developed by LSU, using a screening model developed by Texaco Research Center in Houston. The results of the information gained in this project is disseminated throughout the oil industry via a series of SPE papers and industry open forums.

Using CO2 Prophet to estimate recovery factors for carbon dioxide enhanced oil recovery

USGS Publications Warehouse

Attanasi, Emil D.

2017-07-17

IntroductionThe Oil and Gas Journal’s enhanced oil recovery (EOR) survey for 2014 (Koottungal, 2014) showed that gas injection is the most frequently applied method of EOR in the United States and that carbon dioxide (CO2 ) is the most commonly used injection fluid for miscible operations. The CO2-EOR process typically follows primary and secondary (waterflood) phases of oil reservoir development. The common objective of implementing a CO2-EOR program is to produce oil that remains after the economic limit of waterflood recovery is reached. Under conditions of miscibility or multicontact miscibility, the injected CO2 partitions between the gas and liquid CO2 phases, swells the oil, and reduces the viscosity of the residual oil so that the lighter fractions of the oil vaporize and mix with the CO2 gas phase (Teletzke and others, 2005). Miscibility occurs when the reservoir pressure is at least at the minimum miscibility pressure (MMP). The MMP depends, in turn, on oil composition, impurities of the CO2 injection stream, and reservoir temperature. At pressures below the MMP, component partitioning, oil swelling, and viscosity reduction occur, but the efficiency is increasingly reduced as the pressure falls farther below the MMP. CO2-EOR processes are applied at the reservoir level, where a reservoir is defined as an underground formation containing an individual and separate pool of producible hydrocarbons that is confined by impermeable rock or water barriers and is characterized by a single natural pressure system. A field may consist of a single reservoir or multiple reservoirs that are not in communication but which may be associated with or related to a single structural or stratigraphic feature (U.S. Energy Information Administration [EIA], 2000). The purpose of modeling the CO2-EOR process is discussed along with the potential CO2-EOR predictive models. The data demands of models and the scope of the assessments require tradeoffs between reservoir-specific data that can be assembled and simplifying assumptions that allow assignment of default values for some reservoir parameters. These issues are discussed in the context of the CO2 Prophet EOR model, and their resolution is demonstrated with the computation of recovery-factor estimates for CO2-EOR of 143 reservoirs in the Powder River Basin Province in southeastern Montana and northeastern Wyoming.

Improvement of Sweep Efficiency in Gasflooding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kishore Mohanty

2008-12-31

Miscible and near-miscible gasflooding has proven to be one of the few cost effective enhance oil recovery techniques in the past twenty years. As the scope of gas flooding is being expanded to medium viscosity oils in shallow sands in Alaska and shallower reservoirs in the lower 48, there are questions about sweep efficiency in near-miscible regions. The goal of this research is to evaluate sweep efficiency of various gas flooding processes in a laboratory model and develop numerical tools to estimate their effectiveness in the field-scale. Quarter 5-spot experiments were conducted at reservoir pressure to evaluate the sweep efficiencymore » of gas, WAG and foam floods. The quarter 5-spot model was used to model vapor extraction (VAPEX) experiments at the lab scale. A streamline-based compositional simulator and a commercial simulator (GEM) were used to model laboratory scale miscible floods and field-scale pattern floods. An equimolar mixture of NGL and lean gas is multicontact miscible with oil A at 1500 psi; ethane is a multicontact miscible solvent for oil B at pressures higher than 607 psi. WAG improves the microscopic displacement efficiency over continuous gas injection followed by waterflood in corefloods. WAG improves the oil recovery in the quarter 5-spot over the continuous gas injection followed by waterflood. As the WAG ratio increases from 1:2 to 2:1, the sweep efficiency in the 5-spot increases, from 39.6% to 65.9%. A decrease in the solvent amount lowers the oil recovery in WAG floods, but significantly higher amount of oil can be recovered with just 0.1 PV solvent injection over just waterflood. Use of a horizontal production well lowers the oil recovery over the vertical production well during WAG injection phase in this homogeneous 5-spot model. Estimated sweep efficiency decreases from 61.5% to 50.5%. In foam floods, as surfactant to gas slug size ratio increases from 1:10 to 1:1, oil recovery increases. In continuous gasflood VAPEX processes, as the distance between the injection well and production well decreases, the oil recovery and rate decreases in continuous gasflood VAPEX processes. Gravity override is observed for gas injection simulations in vertical (X-Z) cross-sections and 3-D quarter five spot patterns. Breakthrough recovery efficiency increases with the viscous-to-gravity ratio in the range of 1-100. The speed up for the streamline calculations alone is almost linear with the number of processors. The overall speed up factor is sub-linear because of the overhead time spent on the finite-difference calculation, inter-processor communication, and non-uniform processor load. Field-scale pattern simulations showed that recovery from gas and WAG floods depends on the vertical position of high permeability regions and k{sub v}/k{sub h} ratio. As the location of high permeability region moves down and k{sub v}/k{sub h} ratio decreases, oil recovery increases. There is less gravity override. The recovery from the field model is lower than that from the lab 5-spot model, but the effect of WAG ratio is similar.« less

Giant Plasma Membrane Vesicles: An Experimental Tool for Probing the Effects of Drugs and Other Conditions on Membrane Domain Stability.

PubMed

Gerstle, Zoe; Desai, Rohan; Veatch, Sarah L

2018-01-01

Giant plasma membrane vesicles (GPMVs) are isolated directly from living cells and provide an alternative to vesicles constructed of synthetic or purified lipids as an experimental model system for use in a wide range of assays. GPMVs capture much of the compositional protein and lipid complexity of intact cell plasma membranes, are filled with cytoplasm, and are free from contamination with membranes from internal organelles. GPMVs often exhibit a miscibility transition below the growth temperature of their parent cells. GPMVs labeled with a fluorescent protein or lipid analog appear uniform on the micron-scale when imaged above the miscibility transition temperature, and separate into coexisting liquid domains with differing membrane compositions and physical properties below this temperature. The presence of this miscibility transition in isolated GPMVs suggests that a similar phase-like heterogeneity occurs in intact plasma membranes under growth conditions, albeit on smaller length scales. In this context, GPMVs provide a simple and controlled experimental system to explore how drugs and other environmental conditions alter the composition and stability of phase-like domains in intact cell membranes. This chapter describes methods to generate and isolate GPMVs from adherent mammalian cells and to interrogate their miscibility transition temperatures using fluorescence microscopy. © 2018 Elsevier Inc. All rights reserved.

Application of film-casting technique to investigate drug-polymer miscibility in solid dispersion and hot-melt extrudate.

PubMed

Parikh, Tapan; Gupta, Simerdeep Singh; Meena, Anuprabha K; Vitez, Imre; Mahajan, Nidhi; Serajuddin, Abu T M

2015-07-01

Determination of drug-polymer miscibility is critical for successful development of solid dispersions. This report details a practical method to predict miscibility and physical stability of drug with various polymers in solid dispersion and, especially, in melt extrudates by applying a film-casting technique. Mixtures of itraconazole (ITZ) with hydroxypropylmethylcellulose phthalate (HPMCP), Kollidon(®) VA 64, Eudragit(®) E PO, and Soluplus(®) were film-casted, exposed to 40°C/75% RH for 1 month and then analyzed using differential scanning calorimetry (DSC), powder X-ray diffractometry, and polarized light microscopy (PLM). ITZ had the highest miscibility with HPMCP, being miscible at drug to polymer ratio of 6:4 (w/w). There was a downward trend of lower miscibility with Soluplus(®) (miscible at 3:7, w/w, and a few microcrystals present at 4:6, w/w), Kollidon(®) VA 64 (2:8, w/w) and Eudragit(®) E PO (<1:9, w/w). PLM was found more sensitive to detect drug crystallization than DSC and powder X-ray diffractometry. There was general correlation between results of film casting and hot-melt extrusion (HME) using a twin screw extruder. For ITZ-Soluplus(®) mixtures, HME at 4:6 (w/w) resulted in a single phase, whereas drug crystallization was observed at higher drug load. HME of ITZ-Kollidon(®) VA 64 mixtures also correlated well with the miscibility predicted by film casting. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Drop impact onto a thin film: Miscibility effect

NASA Astrophysics Data System (ADS)

Chen, Ningli; Chen, H.; Amirfazli, A.

2017-09-01

In this work a systematic experimental study was performed to understand the process of liquid drop impact onto a thin film made of a different liquid from drop. The drop and film liquids can be miscible or immiscible. Three general outcomes of deposition, crown formation without splashing, and splashing, were observed in the advancing phase of the drop impact onto a solid surface covered by either a miscible or an immiscible thin film. However, for a miscible film, a larger Weber number and film thickness are needed for the formation of a crown and splashing comparing with immiscible cases. The advancing phase of drop impact onto a thin immiscible film with a large viscosity is similar to that of drop impact onto a dry surface; for a miscible film viscous film, the behavior is far from that of a dry surface. The behavior of liquid lamella in the receding phase of drop impact onto a thin miscible film is reported for the first time. The results show that immiscibility is not a necessary condition for the existence of a receding phase. The existence of a receding phase is highly dependent on the interfacial tension between the drop and the film. The miscibility can significantly affect the receding morphology as it will cause mixing of the two liquids.

Classification of solid dispersions: correlation to (i) stability and solubility (ii) preparation and characterization techniques.

PubMed

Meng, Fan; Gala, Urvi; Chauhan, Harsh

2015-01-01

Solid dispersion has been a topic of interest in recent years for its potential in improving oral bioavailability, especially for poorly water soluble drugs where dissolution could be the rate-limiting step of oral absorption. Understanding the physical state of the drug and polymers in solid dispersions is essential as it influences both the stability and solubility of these systems. This review emphasizes on the classification of solid dispersions based on the physical states of drug and polymer. Based on this classification, stability aspects such as crystallization tendency, glass transition temperature (Tg), drug polymer miscibility, molecular mobility, etc. and solubility aspects have been discussed. In addition, preparation and characterization methods for binary solid dispersions based on the classification have also been discussed.

Lifecycle of miscible viscous fingering: onset to shutdown

NASA Astrophysics Data System (ADS)

Nijjer, Japinder S.; Hewitt, Duncan R.; Neufeld, Jerome A.

2017-11-01

When a viscous fluid is injected into a porous medium or Hele-Shaw cell that is initially saturated with a more viscous fluid, the flow can be unstable to viscous fingering. We investigate the long-time dynamics of miscible viscous fingering in a homogeneous, planar, two-dimensional porous medium using high-resolution numerical simulations. At late times, we identify a new flow regime which consists of a pair of counter-propagating fingers that diffuse and slow, leaving a linearly well-mixed interior. We derive an analytic solution for this regime, and show that, in contrast to previous suggestions, the flow always evolves to this regime irrespective of the viscosity ratio and Peclet number. As a consequence, we find the instability can only ever generate a finite amount of advective mixing. We also describe the full life-cycle of miscible viscous fingering, which can be partitioned into three regimes: an early-time linearly unstable regime, an intermediate-time non-linear regime, and a late-time exchange-flow regime. We identify, using linear stability theory, a critical Peclet number below which the flow is always stable, and derive a model for the evolution of the transversely averaged concentration in the intermediate-time regime, which extends previous empirical models.

Structure, thermodynamics, and solubility in tetromino fluids.

PubMed

Barnes, Brian C; Siderius, Daniel W; Gelb, Lev D

2009-06-16

To better understand the self-assembly of small molecules and nanoparticles adsorbed at interfaces, we have performed extensive Monte Carlo simulations of a simple lattice model based on the seven hard "tetrominoes", connected shapes that occupy four lattice sites. The equations of state of the pure fluids and all of the binary mixtures are determined over a wide range of density, and a large selection of multicomponent mixtures are also studied at selected conditions. Calculations are performed in the grand canonical ensemble and are analogous to real systems in which molecules or nanoparticles reversibly adsorb to a surface or interface from a bulk reservoir. The model studied is athermal; objects in these simulations avoid overlap but otherwise do not interact. As a result, all of the behavior observed is entropically driven. The one-component fluids all exhibit marked self-ordering tendencies at higher densities, with quite complex structures formed in some cases. Significant clustering of objects with the same rotational state (orientation) is also observed in some of the pure fluids. In all of the binary mixtures, the two species are fully miscible at large scales, but exhibit strong species-specific clustering (segregation) at small scales. This behavior persists in multicomponent mixtures; even in seven-component mixtures of all the shapes there is significant association between objects of the same shape. To better understand these phenomena, we calculate the second virial coefficients of the tetrominoes and related quantities, extract thermodynamic volume of mixing data from the simulations of binary mixtures, and determine Henry's law solubilities for each shape in a variety of solvents. The overall picture obtained is one in which complementarity of both the shapes of individual objects and the characteristic structures of different fluids are important in determining the overall behavior of a fluid of a given composition, with sometimes counterintuitive results. Finally, we note that no sharp phase transitions are observed but that this appears to be due to the small size of the objects considered. It is likely that complex phase behavior may be found in systems of larger polyominoes.

Description of the behavior of dichloroalkanes-containing solutions with three [bXmpy][BF4] isomers, using the experimental information of thermodynamic properties, 1H NMR spectral and the COSMO-RS-methodology.

PubMed

Fernández, Luis; Ortega, Juan; Palomar, José; Toledo, Francisco; Marrero, Elena

2015-02-26

This work studies the binaries of 1-butyl-X-methylpyridinium tetrafluoroborate [bXmpy][BF4] (X = 2, 3, and 4) with four 1,ω-dichloroalkanes, ω = 1-4, using the results obtained for the mixing properties h(E) and v(E) at two temperatures. The three isomers of the ionic liquid (IL) are weakly miscible with the 1,ω-dichloroalkanes when ω ≥ 5 and moderately soluble for ω = 4. The v(E)s of all the binaries present contractive effects, v(E) < 0, which are more pronounced with increasing temperature; the variation in v(E) with ω is positive, although this changes after ω = 4 due to problems of immiscibility. The energetic effects of the mixing process are exothermic in the solutions with the shorter dichloroalkanes, ω = 1 and 2, and this effect increases slightly with temperature. However, mildly exothermic effects are found in the binaries with larger halides, where (dh(E)/dT) > 0. The experimental data are correlated with a suitable equation. The study is completed with (1)H NMR measurements of both the pure compounds and some of the solutions, which showed minor diamagnetic shifts with increasing IL compositions, related to the anisotropy of the pyridine ring. The variation in h(E) with ω for a same IL, due to an increase in the contact surfaces, is related to the reduction in polarity which, in turn, depends on the smaller chemical shifts of the pure dihalide compounds. The COSMO-RS method determines the energetic effects of the mixing process and predicts an exothermic contribution for the electrostatic Misfit-interaction which is quantitatively very similar for the three IL isomers. The differences proposed by the model are mainly reflected in the van der Waals interactions, which are exothermic and clearly influenced by the position of the methylene group in the IL. The contribution made by hydrogen bonds is negligible.

Concentration dependent refractive index of a binary mixture at high pressure.

PubMed

Croccolo, Fabrizio; Arnaud, Marc-Alexandre; Bégué, Didier; Bataller, Henri

2011-07-21

In the present work binary mixtures of varying concentrations of two miscible hydrocarbons, 1,2,3,4-tetrahydronaphtalene (THN) and n-dodecane (C12), are subjected to increasing pressure up to 50 MPa in order to investigate the dependence of the so-called concentration contrast factor (CF), i.e., (∂n/∂c)(p, T), on pressure level. The refractive index is measured by means of a Mach-Zehnder interferometer. The setup and experimental procedure are validated with different pure fluids in the same pressure range. The refractive index of the THN-C12 mixture is found to vary both over pressure and concentration, and the concentration CF is found to exponentially decrease as the pressure is increased. The measured values of the refractive index and the concentration CFs are compared with values obtained by two different theoretical predictions, the well-known Lorentz-Lorenz formula and an alternative one proposed by Looyenga. While the measured refractive indices agree very well with predictions given by Looyenga, the measured concentration CFs show deviations from the latter of the order of 6% and more than the double from the Lorentz-Lorenz predictions.

Contribution to the thermodynamic description of the corium - The U-Zr-O system

NASA Astrophysics Data System (ADS)

Quaini, A.; Guéneau, C.; Gossé, S.; Dupin, N.; Sundman, B.; Brackx, E.; Domenger, R.; Kurata, M.; Hodaj, F.

2018-04-01

In order to understand the stratification process that may occur in the late phase of the fuel degradation during a severe accident in a PWR, the thermodynamic knowledge of the U-Zr-O system is crucial. The presence of a miscibility gap in the U-Zr-O liquid phase may lead to a stratified configuration, which will impact the accidental scenario management. The aim of this work was to obtain new experimental data in the U-Zr-O liquid miscibility gap. New tie-line data were provided at 2567 ± 25 K. The related thermodynamic models were reassessed using present data and literature values. The reassessed model will be implemented in the TAF-ID international database. The composition and density of phases potentially formed during stratification will be predicted by coupling current thermodynamic model with thermal-hydraulics codes.

Dependence on sphere size of the phase behavior of mixtures of rods and spheres

NASA Astrophysics Data System (ADS)

Urakami, Naohito; Imai, Masayuki

2003-07-01

By the addition of chondroitin sulfate (Chs) to the aqueous suspension of tobacco mosaic virus (TMV), the aggregation of TMV occurs at very dilute TMV concentration compared with the addition of polyethylene oxide (PEO). The difference of physical behavior between Chs and PEO is the chain conformation in solution. The Chs chain has a semirigid nature, whereas the PEO chain has a flexible nature. In this study, the Chs and PEO chains are simplified to spherical particles having different size, and we use the spherocylinder model for TMV particle. The effect of the sphere size on the phase behaviors in the mixtures of rods and spheres is investigated by Monte Carlo simulations. By the addition of small spheres, the system transforms from the miscible isotropic phase to the miscible nematic phase. On the other hand, by the addition of large spheres, the system changes from the miscible isotropic phase to the immiscible nematic phase through the immiscible isotropic phase. The different phase behaviors between the small and the large spheres originate from the difference of overlapping volume of the depletion zone. In addition, we perform the Monte Carlo simulations in the case that semirigid chains are used as the Chs chain models. The same phase behaviors are observed as the mixtures of rods and large spheres. Thus the sphere model captures the phase behaviors of rod and polymer mixture systems.

Gradient and size effects on spinodal and miscibility gaps

NASA Astrophysics Data System (ADS)

Tsagrakis, Ioannis; Aifantis, Elias C.

2018-05-01

A thermodynamically consistent model of strain gradient elastodiffusion is developed. Its formulation is based on the enhancement of a robust theory of gradient elasticity, known as GRADELA, to account for a Cahn-Hilliard type of diffusion. Linear stability analysis is employed to determine the influence of concentration and strain gradients on the spinodal decomposition. For finite domains, spherically symmetric conditions are considered, and size effects on spinodal and miscibility gaps are discussed. The theoretical predictions are in agreement with the experimental trends, i.e., both gaps shrink as the grain diameter decreases and they are completely eliminated for crystals smaller than a critical size.

Improved Efficiency of Miscible CO(2) Floods and Enhanced Prospects for CO(2) Flooding Heterogeneous Reservoirs.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grigg, R.B.; Schechter, D.S.

The overall goal of this project was to improve the efficiency of miscible C0{sub 2} floods and enhance the prospects for flooding heterogeneous reservoirs. This objective was accomplished through experimental and modeling research in three task areas: (1) foams for selective mobility control in heterogeneous reservoirs,( 2) reduction of the amount of C0{sub 2} required in C0{sub 2} floods, and (3) low IFT processe and the possibility of C0{sub 2} flooding in fractured reservoirs. This report provides results from the three-year project for each of the three task areas.

Development of an inter-atomic potential for the Pd-H binary system.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zimmerman, Jonathan A.; Hoyt, Jeffrey John; Leonard, Francois Leonard

2007-09-01

Ongoing research at Sandia National Laboratories has been in the area of developing models and simulation methods that can be used to uncover and illuminate the material defects created during He bubble growth in aging bulk metal tritides. Previous efforts have used molecular dynamics calculations to examine the physical mechanisms by which growing He bubbles in a Pd metal lattice create material defects. However, these efforts focused only on the growth of He bubbles in pure Pd and not on bubble growth in the material of interest, palladium tritide (PdT), or its non-radioactive isotope palladium hydride (PdH). The reason formore » this is that existing inter-atomic potentials do not adequately describe the thermodynamics of the Pd-H system, which includes a miscibility gap that leads to phase separation of the dilute (alpha) and concentrated (beta) alloys of H in Pd at room temperature. This document will report the results of research to either find or develop inter-atomic potentials for the Pd-H and Pd-T systems, including our efforts to use experimental data and density functional theory calculations to create an inter-atomic potential for this unique metal alloy system.« less

Deformation of interface in a partially miscible system during favorable displacement

NASA Astrophysics Data System (ADS)

Suzuki, Ryuta; Nagatsu, Yuichiro; Mishra, Manoranjan; Ban, Takahiko

2017-11-01

The Saffman-Taylor instability triggers a well-known viscous fingering (VF, called unfavorable displacement), occurring when a less viscous fluid displaces a more viscous one in porous media or in a Hele-Shaw cell because the boundary of the two fluids becomes hydrodynamically unstable. In the reverse situation (called favorable displacement) in which a more viscous fluid displaces a less viscous one, no instabilities occur due to hydrodynamically stable system. It has been reported that the favorable displacements become unstable by several physicochemical effects. So far, studies of both displacements have focused on fluids that are either fully miscible or immiscible. However, little attention has been paid to displacements in partially miscible system. Here, we have discovered that a partial miscibility triggers fingering instability in a favorable displacement without any chemical reactions. The occurrence of this new instability is induced by not hydrodynamic effects but a thermodynamic effect that is so-called Korteweg effect in which convection is induced during phase separation process in a partially miscible system.

Hydrodynamic instabilities in miscible fluids

NASA Astrophysics Data System (ADS)

Truzzolillo, Domenico; Cipelletti, Luca

2018-01-01

Hydrodynamic instabilities in miscible fluids are ubiquitous, from natural phenomena up to geological scales, to industrial and technological applications, where they represent the only way to control and promote mixing at low Reynolds numbers, well below the transition from laminar to turbulent flow. As for immiscible fluids, the onset of hydrodynamic instabilities in miscible fluids is directly related to the physics of their interfaces. The focus of this review is therefore on the general mechanisms driving the growth of disturbances at the boundary between miscible fluids, under a variety of forcing conditions. In the absence of a regularizing mechanism, these disturbances would grow indefinitely. For immiscible fluids, interfacial tension provides such a regularizing mechanism, because of the energy cost associated to the creation of new interface by a growing disturbance. For miscible fluids, however, the very existence of interfacial stresses that mimic an effective surface tension is debated. Other mechanisms, however, may also be relevant, such as viscous dissipation. We shall review the stabilizing mechanisms that control the most common hydrodynamic instabilities, highlighting those cases for which the lack of an effective interfacial tension poses deep conceptual problems in the mathematical formulation of a linear stability analysis. Finally, we provide a short overview on the ongoing research on the effective, out of equilibrium interfacial tension between miscible fluids.

A new method to simulate the effects of viscous fingering on miscible displacement processes in porous media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vossoughi, S.; Green, D.W.; Smith, J.E.

Dispersion and viscous fingering are important parameters in miscible displacement. Effects of dispersion on concentration profiles in porous media can be simulated when the viscosity ratio is favorable. The capability to simulate viscous fingering is limited. This paper presents a new method to simulate effects of viscous fingering on miscible displacement processes in porous media. The method is based on the numerical solution of a general form of the convection-dispersion equation. In this equation the convection term is represented by a fractional flow function. The fractional flow function is derived from Darcy's law by using a concentration-dependent average viscosity andmore » relative flow area to each fluid at any point in the bed. The method was extended to the description of a polymer flood by including retention and inaccessible PV. A Langmuir-type model for polymer retention in the rock was used. The resulting convection-dispersion equation for displacement by polymer was solved numerically by the use of a finite-element method with linear basis functions and Crank-Nicholson derivative approximation. History matches were performed on four sets of laboratory data to verify the model: (1) an unfavorable viscosity ratio displacement, (2) stable displacement of glycerol by polymer solution, (3) unstable displacement of brine by a slug of polymer solution, and (4) a favorable viscosity ratio displacement. In general, computed results from the model matched laboratory data closely. Good agreement of the model with experiments over a significant range of variables lends support to the analysis.« less

Interfacial behavior of Myristic acid in mixtures with DMPC and Cholesterol

NASA Astrophysics Data System (ADS)

Khattari, Z.; Sayyed, M. I.; Qashou, S. I.; Fasfous, I.; Al-Abdullah, T.; Maghrabi, M.

2017-06-01

Binary mixture monolayers of Myristic acid (MA) with the same length of saturated acyl chain lipid viz 1,2-myristoyl-sn-glycero-3-phosphocholine (DMPC) and Cholesterol (Chol), were investigated under different experimental conditions using Langmuir monolayers (LMs). The interfacial pressure-area (π-A) isotherms, excess molecular area, excess free energy and fluorescence microscopy (FM) images were recorded at the air/water interface. Monolayers of both systems (e.g. MA/DMPC, MA/Chol) reach the closest acyl hydrophobic chain packing in the range 0.20 < xMA < 0.70. Thermodynamic analysis indicates miscibility of the binary mixtures when spread at the air/water interface with negative deviation from the ideal behavior. Morphological features of MA/DMPC systems were found to depend strongly on MA mole fraction and pressures by showing two extreme minima in Gibbs free energy of mixing, while MA/Chol systems showed only an effective condensing effect at xMA = 0.90. In the whole range of compositions studied here, the liquid-expanded (LE) to liquid-condensed (LC) phase transition occurs at increasing xAM as it accomplished by a huge increase in the inverse compressibility modulus. FM observations confirmed the phase-transition and condensing effects of both mixture monolayers as evidenced by Gibbs free energy of mixing in a limited range of compositions.

First Principles Calculations of Transition Metal Binary Alloys: Phase Stability and Surface Effects

NASA Astrophysics Data System (ADS)

Aspera, Susan Meñez; Arevalo, Ryan Lacdao; Shimizu, Koji; Kishida, Ryo; Kojima, Kazuki; Linh, Nguyen Hoang; Nakanishi, Hiroshi; Kasai, Hideaki

2017-06-01

The phase stability and surface effects on binary transition metal nano-alloy systems were investigated using density functional theory-based first principles calculations. In this study, we evaluated the cohesive and alloying energies of six binary metal alloy bulk systems that sample each type of alloys according to miscibility, i.e., Au-Ag and Pd-Ag for the solid solution-type alloys (SS), Pd-Ir and Pd-Rh for the high-temperature solid solution-type alloys (HTSS), and Au-Ir and Ag-Rh for the phase-separation (PS)-type alloys. Our results and analysis show consistency with experimental observations on the type of materials in the bulk phase. Varying the lattice parameter was also shown to have an effect on the stability of the bulk mixed alloy system. It was observed, particularly for the PS- and HTSS-type materials, that mixing gains energy from the increasing lattice constant. We furthermore evaluated the surface effects, which is an important factor to consider for nanoparticle-sized alloys, through analysis of the (001) and (111) surface facets. We found that the stability of the surface depends on the optimization of atomic positions and segregation of atoms near/at the surface, particularly for the HTSS and the PS types of metal alloys. Furthermore, the increase in energy for mixing atoms at the interface of the atomic boundaries of PS- and HTSS-type materials is low enough to overcome by the gain in energy through entropy. These, therefore, are the main proponents for the possibility of mixing alloys near the surface.

Confinement effect on the dynamics of non-equilibrium concentration fluctuations far from the onset of convection.

PubMed

Giraudet, Cédric; Bataller, Henri; Sun, Yifei; Donev, Aleksandar; Ortiz de Zárate, José M; Croccolo, Fabrizio

2016-12-01

In a recent letter (C. Giraudet et al., EPL 111, 60013 (2015)) we reported preliminary data showing evidence of a slowing-down of non-equilibrium fluctuations of the concentration in thermodiffusion experiments on a binary mixture of miscible fluids. The reason for this slowing-down was attributed to the effect of confinement. Such tentative explanation is here experimentally corroborated by new measurements and theoretically substantiated by studying analytically and numerically the relevant fluctuating hydrodynamics equations. In the new experiments presented here, the magnitude of the temperature gradient is changed, confirming that the system is controlled solely by the solutal Rayleigh number, and that the slowing-down is dominated by a combined effect of the driving force of buoyancy, the dissipating force of diffusion and the confinement provided by the vertical extension of the sample cell. Moreover, a compact phenomenological interpolating formula is proposed for easy analysis of experimental results.

Miscibility, Crystallization, and Rheological Behavior of Solution Casting Poly(3-hydroxybutyrate)/poly(ethylene succinate) Blends Probed by Differential Scanning Calorimetry, Rheology, and Optical Microscope Techniques

NASA Astrophysics Data System (ADS)

Sun, Wei-hua; Qiao, Xiao-ping; Cao, Qi-kun; Liu, Jie-ping

2010-02-01

The miscibility and crystallization of solution casting biodegradable poly(3-hydroxybutyrate)/poly(ethylene succinate) (PHB/PES) blends was investigated by differential scanning calorimetry, rheology, and optical microscopy. The blends showed two glass transition temperatures and a depression of melting temperature of PHB with compositions in phase diagram, which indicated that the blend was partially miscible. The morphology observation supported this result. It was found that the PHB and PES can crystallize simultaneously or upon stepwise depending on the crystallization temperatures and compositions. The spherulite growth rate of PHB increased with increasing of PES content. The influence of compositions on the spherulitic growth rate for the partially miscible polymer blends was discussed.

Live cell plasma membranes do not exhibit a miscibility phase transition over a wide range of temperatures.

PubMed

Lee, Il-Hyung; Saha, Suvrajit; Polley, Anirban; Huang, Hector; Mayor, Satyajit; Rao, Madan; Groves, Jay T

2015-03-26

Lipid/cholesterol mixtures derived from cell membranes as well as their synthetic reconstitutions exhibit well-defined miscibility phase transitions and critical phenomena near physiological temperatures. This suggests that lipid/cholesterol-mediated phase separation plays a role in the organization of live cell membranes. However, macroscopic lipid-phase separation is not generally observed in cell membranes, and the degree to which properties of isolated lipid mixtures are preserved in the cell membrane remain unknown. A fundamental property of phase transitions is that the variation of tagged particle diffusion with temperature exhibits an abrupt change as the system passes through the transition, even when the two phases are distributed in a nanometer-scale emulsion. We support this using a variety of Monte Carlo and atomistic simulations on model lipid membrane systems. However, temperature-dependent fluorescence correlation spectroscopy of labeled lipids and membrane-anchored proteins in live cell membranes shows a consistently smooth increase in the diffusion coefficient as a function of temperature. We find no evidence of a discrete miscibility phase transition throughout a wide range of temperatures: 14-37 °C. This contrasts the behavior of giant plasma membrane vesicles (GPMVs) blebbed from the same cells, which do exhibit phase transitions and macroscopic phase separation. Fluorescence lifetime analysis of a DiI probe in both cases reveals a significant environmental difference between the live cell and the GPMV. Taken together, these data suggest the live cell membrane may avoid the miscibility phase transition inherent to its lipid constituents by actively regulating physical parameters, such as tension, in the membrane.

The Dynamics of Miscible Interfaces: Simulations

NASA Technical Reports Server (NTRS)

Meiburg, Eckart

2005-01-01

This research project focuses on the dynamics of interfacial regions between miscible fluids. While much attention has focused on immiscible interfaces in the past, miscible interfaces have been explored to a much lesser degree, so that there are many open questions regarding their dynamics at this time. Among the more pressing issues is the role that nonconventional stresses can play in such interfacial regions. Such stresses are typically not accounted for in efforts to model the dynamics of miscible flows. Our research aims to clarify under which circumstances these stresses do have to be taken into account, and what quantitative approaches are most suitable in this regard. In order to address these issues, we have focused on conducting linear stability analyses and nonlinear simulations for capillary tube and Hele-Shaw flows, and to compare the results with corresponding experiments performed in the labs of our co-investigators Prof. Maxworthy at USC, and Dr. Balasubramaniam at NASA. Over the duration of the project we have, among other things, focused on the effects of variable diffusion coefficients in such flows, and specifically on their influence in the growth of instabilities. Furthermore, our three-dimensional spectral element simulations have made good progress, so that we have come to a point where we can conduct more detailed comparisons with experimental observations. We are currently focusing our efforts on reproducing the tip-splitting instability observed by Maxworthy. Finally, we have discovered a new core-annular flow instability in the Stokes flow regime during the last year. This represents a significant finding, as this instability does not have an immiscible counterpart.

DEVELOPMENT AND OPTIMIZATION OF GAS-ASSISTED GRAVITY DRAINAGE (GAGD) PROCESS FOR IMPROVED LIGHT OIL RECOVERY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dandina N. Rao; Subhash C. Ayirala; Madhav M. Kulkarni

This report describes the progress of the project ''Development and Optimization of Gas-Assisted Gravity Drainage (GAGD) Process for Improved Light Oil Recovery'' for the duration of the second project year (October 1, 2003--September 30, 2004). There are three main tasks in this research project. Task 1 is scaled physical model study of GAGD process. Task 2 is further development of vanishing interfacial tension (VIT) technique for miscibility determination. Task 3 is determination of multiphase displacement characteristics in reservoir rocks. In Section I, preliminary design of the scaled physical model using the dimensional similarity approach has been presented. Scaled experiments onmore » the current physical model have been designed to investigate the effect of Bond and capillary numbers on GAGD oil recovery. Experimental plan to study the effect of spreading coefficient and reservoir heterogeneity has been presented. Results from the GAGD experiments to study the effect of operating mode, Bond number and capillary number on GAGD oil recovery have been reported. These experiments suggest that the type of the gas does not affect the performance of GAGD in immiscible mode. The cumulative oil recovery has been observed to vary exponentially with Bond and capillary numbers, for the experiments presented in this report. A predictive model using the bundle of capillary tube approach has been developed to predict the performance of free gravity drainage process. In Section II, a mechanistic Parachor model has been proposed for improved prediction of IFT as well as to characterize the mass transfer effects for miscibility development in reservoir crude oil-solvent systems. Sensitivity studies on model results indicate that provision of a single IFT measurement in the proposed model is sufficient for reasonable IFT predictions. An attempt has been made to correlate the exponent (n) in the mechanistic model with normalized solute compositions present in both fluid phases. IFT measurements were carried out in a standard ternary liquid system of benzene, ethanol and water using drop shape analysis and capillary rise techniques. The experimental results indicate strong correlation among the three thermodynamic properties solubility, miscibility and IFT. The miscibility determined from IFT measurements for this ternary liquid system is in good agreement with phase diagram and solubility data, which clearly indicates the sound conceptual basis of VIT technique to determine fluid-fluid miscibility. Model fluid systems have been identified for VIT experimentation at elevated pressures and temperatures. Section III comprises of the experimental study aimed at evaluating the multiphase displacement characteristics of the various gas injection EOR process performances using Berea sandstone cores. During this reporting period, extensive literature review was completed to: (1) study the gravity drainage concepts, (2) identify the various factors influencing gravity stable gas injection processes, (3) identify various multiphase mechanisms and fluid dynamics operative during the GAGD process, and (4) identify important dimensionless groups governing the GAGD process performance. Furthermore, the dimensional analysis of the GAGD process, using Buckingham-Pi theorem to isolate the various dimensionless groups, as well as experimental design based on these dimensionless quantities have been completed in this reporting period. On the experimental front, recommendations from previous WAG and CGI have been used to modify the experimental protocol. This report also includes results from scaled preliminary GAGD displacements as well as the details of the planned GAGD corefloods for the next quarter. The technology transfer activities have mainly consisted of preparing technical papers, progress reports and discussions with industry personnel for possible GAGD field tests.« less

Role of Thickness Confinement on Relaxations of the Fast Component in a Miscible A/B Blend

DOE Office of Scientific and Technical Information (OSTI.GOV)

Green, Peter; Sharma, Ravi P.; Dong, Ban Xuan

Spatial compositional heterogeneity strongly influences the dynamics of the A and B components of bulk miscible blends. Its effects are especially apparent in mixtures, such as poly(vinyl methyl ether) (PVME)/polystyrene (PS), where there exist significant disparities between the component glass transition temperatures (Tgs) and relaxation times. The relaxation processes characterized by distinct temperature dependencies and relaxation rates manifest different local compositional environments for temperatures above and below the glass transition temperature of the miscible blend. This same behavior is shown to exist in miscible PS/PVME films as thin as 100 nm. Moreover, in thin films, the characteristic segmental relaxation timesmore » t of the PVME component of miscible PVME/PS blends confined between aluminum (Al) substrates decrease with increasing molecular weight M of the PS component. These relaxation rates are film thickness dependent, in films up to a few hundred nanometers in thickness. This is in remarkable contrast to homopolymer films, where thickness confinement effects are apparent only on length scales on the order of nanometers. These surprisingly large length scales and M dependence are associated with the preferential interfacial enrichment - wetting layer formation - of the PVME component at the external Al interfaces, which alters the local spatial blend composition within the interior of the film. The implications are that the dynamics of miscible thin film blends are dictated in part by component Tg differences, disparities in component relaxation rates, component-substrate interactions, and chain lengths (entropy of mixing).« less

Nonequilibrium Interfacial Tension in Simple and Complex Fluids

NASA Astrophysics Data System (ADS)

Truzzolillo, Domenico; Mora, Serge; Dupas, Christelle; Cipelletti, Luca

2016-10-01

Interfacial tension between immiscible phases is a well-known phenomenon, which manifests itself in everyday life, from the shape of droplets and foam bubbles to the capillary rise of sap in plants or the locomotion of insects on a water surface. More than a century ago, Korteweg generalized this notion by arguing that stresses at the interface between two miscible fluids act transiently as an effective, nonequilibrium interfacial tension, before homogenization is eventually reached. In spite of its relevance in fields as diverse as geosciences, polymer physics, multiphase flows, and fluid removal, experiments and theoretical works on the interfacial tension of miscible systems are still scarce, and mostly restricted to molecular fluids. This leaves crucial questions unanswered, concerning the very existence of the effective interfacial tension, its stabilizing or destabilizing character, and its dependence on the fluid's composition and concentration gradients. We present an extensive set of measurements on miscible complex fluids that demonstrate the existence and the stabilizing character of the effective interfacial tension, unveil new regimes beyond Korteweg's predictions, and quantify its dependence on the nature of the fluids and the composition gradient at the interface. We introduce a simple yet general model that rationalizes nonequilibrium interfacial stresses to arbitrary mixtures, beyond Korteweg's small gradient regime, and show that the model captures remarkably well both our new measurements and literature data on molecular and polymer fluids. Finally, we briefly discuss the relevance of our model to a variety of interface-driven problems, from phase separation to fracture, which are not adequately captured by current approaches based on the assumption of small gradients.

Osmosis-driven viscous fingering of oil-in-water emulsions

NASA Astrophysics Data System (ADS)

Liu, Ying; Rallabandi, Bhargav; Baskaran, Mrudhula; Stone, Howard

2017-11-01

Viscous fingering occurs when a low viscosity fluid invades a more viscous fluid. Fingering of two miscible fluids is more complicated than that of immiscible fluids in that there is no sharp fluid-fluid interface and diffusion occurs between the phases. We experimentally studied the fingering of two miscible fluids: an oil-in-water emulsion and a sodium chloride solution. When the concentration of sodium chloride in the water phase in the emulsion exceeds that in the sodium chloride solution, the consequent osmotic flow automatically facilitates the occurrence of the fingering. On the contrary, when the sodium chloride solution has higher concentration, the spreading of emulsion is more uniform than the case without the concentration difference. We provide a model to rationalize and quantify these observations.

Differential scanning calorimetric and Fourier transform infrared spectroscopic studies of the effects of cholesterol on the thermotropic phase behavior and organization of a homologous series of linear saturated phosphatidylserine bilayer membranes.

PubMed Central

McMullen, T P; Lewis, R N; McElhaney, R N

2000-01-01

We have examined the effects of cholesterol on the thermotropic phase behavior and organization of aqueous dispersions of a homologous series of linear disaturated phosphatidylserines by high-sensitivity differential scanning calorimetry and Fourier transform infrared spectroscopy. We find that the incorporation of increasing quantities of cholesterol progressively reduces the temperature, enthalpy, and cooperativity of the gel-to-liquid-crystalline phase transition of the host phosphatidylserine bilayer, such that a cooperative chain-melting phase transition is completely or almost completely abolished at 50 mol % cholesterol, in contrast to the results of previous studies. We are also unable to detect the presence of a separate anhydrous cholesterol or cholesterol monohydrate phase in our binary mixtures, again in contrast to previous reports. We further show that the magnitude of the reduction in the phase transition temperature induced by cholesterol addition is independent of the hydrocarbon chain length of the phosphatidylserine studied. This result contrasts with our previous results with phosphatidylcholine bilayers, where we found that cholesterol increases or decreases the phase transition temperature in a chain length-dependent manner (1993. Biochemistry, 32:516-522), but is in agreement with our previous results for phosphatidylethanolamine bilayers, where no hydrocarbon chain length-dependent effects were observed (1999. Biochim. Biophys. Acta, 1416:119-234). However, the reduction in the phase transition temperature by cholesterol is of greater magnitude in phosphatidylethanolamine as compared to phosphatidylserine bilayers. We also show that the addition of cholesterol facilitates the formation of the lamellar crystalline phase in phosphatidylserine bilayers, as it does in phosphatidylethanolamine bilayers, whereas the formation of such phases in phosphatidylcholine bilayers is inhibited by the presence of cholesterol. We ascribe the limited miscibility of cholesterol in phosphatidylserine bilayers reported previously to a fractional crystallization of the cholesterol and phospholipid phases during the removal of organic solvent from the binary mixture before the hydration of the sample. In general, the results of our studies to date indicate that the magnitude of the effect of cholesterol on the thermotropic phase behavior of the host phospholipid bilayer, and its miscibility in phospholipid dispersions generally, depend on the strength of the attractive interactions between the polar headgroups and the hydrocarbon chains of the phospholipid molecule, and not on the charge of the polar headgroups per se. PMID:11023909

Miscibility of ethyl cellulose/copolyamide6/66/1010 blends by viscometry and refractive index method

NASA Astrophysics Data System (ADS)

Zhang, Xiuzhen; Shen, Yuhua; Xie, Anjian; Gao, Sulian; Xing, Zhiying

2011-04-01

The miscibility of ethyl cellulose (EC)/copolyamide6/66/1010 (PA-130) in formic acid is studied by viscometry and refractive index techniques at 25°C. Using viscosity data, the criteria Δ b, Δ b', Δ[η]m, interaction parameter μ, β and thermodynamic parameter α are calculated. These investigations indicate that blend of EC/PA-130 is miscible when the ethyl cellulose content is more than 50 wt % in the blend. Further the result was also confirmed by refractive index measurements.

NR/EPDM elastomeric rubber blend miscibility evaluation by two-level fractional factorial design of experiment

NASA Astrophysics Data System (ADS)

Razak, Jeefferie Abd; Ahmad, Sahrim Haji; Ratnam, Chantara Thevy; Mahamood, Mazlin Aida; Yaakub, Juliana; Mohamad, Noraiham

2014-09-01

Fractional 25 two-level factorial design of experiment (DOE) was applied to systematically prepare the NR/EPDM blend using Haake internal mixer set-up. The process model of rubber blend preparation that correlates the relationships between the mixer process input parameters and the output response of blend compatibility was developed. Model analysis of variance (ANOVA) and model fitting through curve evaluation finalized the R2 of 99.60% with proposed parametric combination of A = 30/70 NR/EPDM blend ratio; B = 70°C mixing temperature; C = 70 rpm of rotor speed; D = 5 minutes of mixing period and E = 1.30 phr EPDM-g-MAH compatibilizer addition, with overall 0.966 desirability. Model validation with small deviation at +2.09% confirmed the repeatability of the mixing strategy with valid maximum tensile strength output representing the blend miscibility. Theoretical calculation of NR/EPDM blend compatibility is also included and compared. In short, this study provides a brief insight on the utilization of DOE for experimental simplification and parameter inter-correlation studies, especially when dealing with multiple variables during elastomeric rubber blend preparation.

Impact of sodium chloride on the expansion of a liquid-liquid miscibility gap in an API/water system. Case study of Brivaracetam.

PubMed

Couvrat, Nicolas; Mahieux, Julien; Fours, Baptiste; Cartigny, Yohann; Schenkel, Eric; Aerts, Luc; Quéré, Luc; Coquerel, Gérard

2016-12-30

Brivaracetam, or (2S)-2-[(4R)-2-oxo-4-propyl-pyrrolidin-1-yl] butanamide, is an active pharmaceutical ingredient designed for the treatment of epilepsy. During the development of the IV administration mode, a liquid-liquid miscibility gap has been observed with pure water, isotonic and hypertonic solutions (vehicle at 0.9% w/w and 5%w/w NaCl respectively). The study reveals that the NaCl concentration has a direct impact on the extent of the demixing domain; from a sub-micronic demixing in pure water towards a macroscopic miscibility gap in hypertonic aqueous solutions. The thorough exploration of these heterogeneous equilibria led to define experimental parameters for safe IV injections without risk of liquid - liquid miscibility gap at 37°C. Copyright © 2016 Elsevier B.V. All rights reserved.

Influence of water-miscible cutting fluid on tool wear behavior of various coated high-speed steel tools in hobbing

NASA Astrophysics Data System (ADS)

Sato, Yuta; Matsuoka, Hironori; Kubo, Akio; Ono, Hajime; Ryu, Takahiro; Qiu, Hua; Nakae, Takashi; Shuto, Shuichi; Watanabe, Suguru; Anan, Ruito

2017-04-01

This paper deals with the influence of water-miscible cutting fluid on tool life (flank wear) compared with that with dry cutting and water-insoluble cutting oil in hobbing. Experiments were conducted by simulating hobbing by fly tool cutting on a milling machine. The following results were clarified. (1) The water-miscible cutting fluid used in the test prolongs the tool life for TiN-, TiAlN-, TiSiN- and AlCrSiN-coated tools in comparison with that obtained by dry cutting and water-insoluble cutting oil. (2) It was presumed that the tool wear decreases and the tool life is improved by the lubrication effect of the synthetic lubrication additive, mineral oil and sulfuric EP additive contained in the water-miscible cutting fluid, and also by the cooling effect.

CFD study of mixing miscible liquid with high viscosity difference in a stirred tank

NASA Astrophysics Data System (ADS)

Madhania, S.; Cahyani, A. B.; Nurtono, T.; Muharam, Y.; Winardi, S.; Purwanto, W. W.

2018-03-01

The mixing process of miscible liquids with high viscosity difference is crucial role even though the solution mutually dissolved. This paper describes the mixing behaviour of the water-molasses system in a conical-bottomed cylindrical stirred tank (D = 0.28 m and H = 0.395 m) equipped with a side-entry Marine propeller (d = 0.036 m) under the turbulence regime using a three-dimensional and transient CFD-simulation. The objective of this work is to compare the solution strategies was applied in the computational analysis to capture the detail phenomena of mixing two miscible liquid with high viscosity difference. Four solution strategies that have been used are the RANS Standards k-ε (SKE) model as the turbulence model coupled with the Multiple Reference Frame (MRF) method for impeller motion, the RANS Realizable k-ε (RKE) combine with the MRF, the Large Eddy Simulation (LES) coupled with the Sliding Mesh (SM) method and the LES-MRF combination. The transient calculations were conducted with Ansys Fluent 17.1 version. The mixing behaviour and the propeller characteristic are to be compared and discussed in this work. The simulation results show the differences of flow pattern and the molasses distribution profile for every solution strategy. The variation of the flow pattern which happened in each solution strategy showing an instability of the mixing process in stirred tank. The LES-SM strategy shows the realistic direction of flow than another solution strategies.

Amorphous and Crystalline Particulates: Challenges and Perspectives in Drug Delivery.

PubMed

Al-Obaidi, Hisham; Majumder, Mridul; Bari, Fiza

2017-01-01

Crystalline and amorphous dispersions have been the focus of academic and industrial research due to their potential role in formulating poorly water-soluble drugs. This review looks at the progress made starting with crystalline carriers in the form of eutectics moving towards more complex crystalline mixtures. It also covers using glassy polymers to maintain the drug as amorphous exhibiting higher energy and entropy. However, the amorphous form tends to recrystallize on storage, which limits the benefits of this approach. Specific interactions between the drug and the polymer may retard this spontaneous conversion of the amorphous drug. Some studies have shown that it is possible to maintain the drug in the amorphous form for extended periods of time. For the drug and the polymer to form a stable mixture they have to be miscible on a molecular basis. Another form of solid dispersions is pharmaceutical co-crystals, for which research has focused on understanding the chemistry, crystal engineering and physico-chemical properties. USFDA has issued a guidance in April 2013 suggesting that the co-crystals as a pharmaceutical product may be a reality; but just not yet! While some of the research is still oriented towards application of these carriers, understanding the mechanism by which drug-carrier miscibility occurs is also covered. Within this context is the use of thermodynamic models such as Flory-Huggins model with some examples of studies used to predict miscibility. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Calcium Ions as “Miscibility Switch”: Colocalization of Surfactant Protein B with Anionic Lipids under Absolute Calcium Free Conditions

PubMed Central

Saleem, Mohammed; Meyer, Michaela C.; Breitenstein, Daniel; Galla, Hans-Joachim

2009-01-01

Abstract One of the main determinants of lung surfactant function is the complex interplay between its protein and lipid components. The lipid specificity of surfactant protein B (SP-B), however, and the protein's ability to selectively squeeze out lipids, has remained contradictory. In this work we present, for the first time to our knowledge, by means of time-of-flight secondary ion mass spectrometry chemical imaging, a direct evidence for colocalization of SP-B as well as its model peptide KL4 with negatively charged dipalmitoylphosphatidylglycerol under absolute calcium free conditions. Our results prove that protein/lipid localization depends on the miscibility of all surfactant components, which itself is influenced by subphase ionic conditions. In contrast to our earlier studies reporting SP-B/KL4 colocalization with zwitterionic dipalmitoylphosphatidylcholine, in the presence of even the smallest traces of calcium, we finally evidence an apparent reversal of protein/lipid mixing behavior upon calcium removal with ethylene diamine tetraacetic acid. In addition, scanning force microscopy measurements reveal that by depleting the subphase from calcium ions the protrusion formation ability of SP-B or KL4 is not hampered. However, in the case of KL4, distinct differences in protrusion morphology and height are visible. Our results support the idea that calcium ions act as a “miscibility switch” in surfactant model systems and probably are one of the major factors steering lipid/protein mixing behavior as well as influencing the protein's protrusion formation ability. PMID:19619464

Containerless, Low-Gravity Undercooling of Ti-Ce Alloys in the MSFC Drop Tube

NASA Technical Reports Server (NTRS)

Robinson, M. B.; Rathz, T. J.; Li, D.; Williams, G.; Workman, G.

1999-01-01

Previous tests of the classical nucleation theory as applied to liquid-liquid gap miscibility systems found a discrepancy between experiment and theory in the ability to undercool one of the liquids before the L1-L2 separation occurs. To model the initial separation process in a two-phase liquid mixture, different theoretical approaches, such as free-energy gradient and density gradient theories, have been put forth. If there is a large enough interaction between the critical liquid and the crucible, both models predict a wetting temperature (T(sub w)) above which the minority liquid perfectly wets and layers the crucible interface, but only on one side of the immiscibility dome. Materials with compositions on the other side of the dome will have simple surface adsorption by the minority liquid before bulk separation occurs when the coexistence (i.e., binoidal) line in reached. If the interaction between the critical liquid and the crucible were to decrease, T(sub w) would increase, eventually approaching the critical consolute temperature (T(sub cc)). If this situation occurs, then there could be large regions of the miscibility gap where non-perfect wetting conditions prevail resulting in droplets of L1 liquid at the surface having a non-zero contact angle. The resulting bulk structure will then depend on what happens on the surface and the subsequent processing conditions. In the past several decades, many experiments in space have been performed on liquid metal binary immiscible systems for the purpose of determining the effects that different crucibles may have on the wetting and separation process of the liquids. Potard performed experiments that showed different crucible materials could cause the majority phase to preferentially wet the container and thus produce a dispersed microstructure of the minority phase. Several other studies have been performed on immiscibles in a semi-container environment using an emulsion technique. Only one previous study was performed using completely containerless processing of immiscible metals and the results of that investigation are similar to some of the emulsion studies. In all the studies, surface wetting was attributed as the cause for the similar microstructures or the asymmetry in the ability to undercool the liquid below the binoidal on one side of the immiscibility dome. By removing the container completely from the separation process, it was proposed that the loss of the crucible/liquid interaction would produce a large shift in T(sub w) and thus change the wetting characteristics at the surface. By investigating various compositions across the miscibility gap, a change in the type and amount of liquid wetting at the surface of a containerless droplet should change the surface nucleating behavior of the droplet - whether it be the liquid-liquid wetting or the liquid-to-solid transition. Undercooling of the liquid into the metastable region should produce significant differences in the separation process and the microstructure upon solidification. In this study, we attempt to measure these transitions by monitoring the temperature of the sample by optical pyrometry. Microstructural analysis will be made to correlate with the degree of undercooling and the separation mechanisms involved.

Miscibility comparison for three refrigerant mixtures and four component refrigerants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kang, H.M.; Pate, M.B.

1999-07-01

Miscibility data were taken and compared for seven different refrigerants when mixed with the same polyol ester (POE) lubricant. Four of the seven refrigerants were single-component refrigerants while three of the refrigerants were mixtures composed of various combinations of the pure refrigerants. The purpose of this research was to investigate the difference in miscibility characteristics between refrigerant mixtures and their respective component refrigerants. The POE lubricant was a penta erythritol mixed-acid type POE which has a viscosity ISO32. The four pure refrigerants were R-32, R-125, R-134a, and R-143a and the three refrigerant mixtures were R-404A, R407C, and R-410A. The miscibilitymore » tests were performed in a test facility consisting of a series of miniature test cells submerged in a constant temperature bath. The test cells were constructed to allow for complete visibility of the refrigerant/lubricant mixtures under all test conditions. The tests were performed over a concentration range of 0 to 100% and a temperature range of {minus}40 to 194 F. The miscibility test results for refrigerant mixtures are compared to component refrigerants. In all cases, the refrigerant mixtures appear to have better miscibility than their most immiscible pure component.« less

Phase Behavior of Binary Blends of AB+AC Block Copolymers with compatible B and C blocks

NASA Astrophysics Data System (ADS)

Pryamitsyn, Victor; Ganesan, Venkat

2012-02-01

Recently the experimental studies of phase behavior of binary blends of PS-b-P2VP and PS-b-PHS demonstrated an interesting effect: blends of symmetric PS-b-P2VP and shorter symmetric (PS-b-PHS) formed cylindrical HEX and spherical BCC phases, while each pure component formed lamellas. The miscibility of P2VP and PHS is caused by the hydrogen bonding between P2VP and PHS,which can be described as a negative Flory ?-parameter between P2VP and PHS. We developed a theory of the microphase segregation of AB+AC blends of diblock copolymers based on strong stretching theory. The main result of our theory is that in the copolymer brush-like layer formed by longer B chain and shorter C chains, the attraction between B and shorter C chains causes relative stretching of short C chains and compression of longer B chains. The latter manifests in an excessive bending force towards the grafting surface (BC|AA interface). Such bending force causes a transition from a symmetric lamella phase to a HEX cylinder or BCC spherical phases with the BC phase being a ``matrix'' component. In a blend of asymmetric BCC sphere forming copolymers (where B and C segments are the minor components), such bending force may unfold BCC spherical phase to a HEX cylinder phase, or even highly uneven lamella phases.

MISCIBILITY, SOLUBILITY, AND VISCOSITY MEASUREMENTS FOR R-236EA WITH POTENTIAL LUBRICANTS

EPA Science Inventory

The report gives results of miscibility, solubility, and viscosity measurements of refrigerant R-236ea with three potential lubricants. (NOTE: The data were needed to determine the suitability of refrigerant/lubricant combinations for use in refrigeration systems.) The lubricants...

A Molecular-Level View of the Physical Stability of Amorphous Solid Dispersions

NASA Astrophysics Data System (ADS)

Yuan, Xiaoda

Many pharmaceutical compounds being developed in recent years are poorly soluble in water. This has led to insufficient oral bioavailability of many compounds in vitro. The amorphous formulation is one of the promising techniques to increase the oral bioavailability of these poorly water-soluble compounds. However, an amorphous drug substance is inherently unstable because it is a high energy form. In order to increase the physical stability, the amorphous drug is often formulated with a suitable polymer to form an amorphous solid dispersion. Previous research has suggested that the formation of an intimately mixed drug-polymer mixture contributes to the stabilization of the amorphous drug compound. The goal of this research is to better understand the role of miscibility, molecular interactions and mobility on the physical stability of amorphous solid dispersions. Methods were developed to detect different degrees of miscibility on nanometer scale and to quantify the extent of hydrogen-bonding interactions between the drug and the polymer. Miscibility, hydrogen-bonding interactions and molecular mobility were correlated with physical stability during a six-month period using three model systems. Overall, this research provides molecular-level insights into many factors that govern the physical stability of amorphous solid dispersions which can lead to a more effective design of stable amorphous formulations.

Miscibility of choline-substituted polyphosphazenes with PLGA and osteoblast activity on resulting blends.

PubMed

Weikel, Arlin L; Owens, Steven G; Morozowich, Nicole L; Deng, Meng; Nair, Lakshmi S; Laurencin, Cato T; Allcock, Harry R

2010-11-01

The preparation of phosphazene tissue engineering scaffolds with bioactive side groups has been accomplished using the biological buffer, choline chloride. Mixed-substituent phosphazene cyclic trimers (as model systems) and polymers with choline chloride and glycine ethyl ester, alanine ethyl ester, valine ethyl ester, or phenylalanine ethyl ester were synthesized. Two different synthetic protocols were examined. A sodium hydride mediated route resulted in polyphosphazenes with a low choline content, while a cesium carbonate mediated process produced polyphosphazenes with higher choline content. The phosphazene structures and physical properties were studied using multinuclear NMR, differential scanning calorimetry (DSC), and gel permeation chromatography (GPC) techniques. The resultant polymers were then blended with PLGA (50:50) or PLGA (85:15) and characterized by DSC analysis and scanning electron microscopy (SEM). Polymer products obtained via the sodium hydride route produced miscible blends with both ratios of PLGA, while the cesium carbonate route yielded products with reduced blend miscibility. Heterophase hydrolysis experiments in aqueous media revealed that the polymer blends hydrolyzed to near-neutral pH media (∼5.8 to 6.8). The effect of different molecular structures on cellular adhesion showed osteoblast proliferation with an elevated osteoblast phenotype expression compared to PLGA over a 21-day culture period. Copyright © 2010 Elsevier Ltd. All rights reserved.

Behavior of CO2/water flow in porous media for CO2 geological storage.

PubMed

Jiang, Lanlan; Yu, Minghao; Liu, Yu; Yang, Mingjun; Zhang, Yi; Xue, Ziqiu; Suekane, Tetsuya; Song, Yongchen

2017-04-01

A clear understanding of two-phase fluid flow properties in porous media is of importance to CO 2 geological storage. The study visually measured the immiscible and miscible displacement of water by CO 2 using MRI (magnetic resonance imaging), and investigated the factor influencing the displacement process in porous media which were filled with quartz glass beads. For immiscible displacement at slow flow rates, the MR signal intensity of images increased because of CO 2 dissolution; before the dissolution phenomenon became inconspicuous at flow rate of 0.8mLmin -1 . For miscible displacement, the MR signal intensity decreased gradually independent of flow rates, because supercritical CO 2 and water became miscible in the beginning of CO 2 injection. CO 2 channeling or fingering phenomena were more obviously observed with lower permeable porous media. Capillary force decreases with increasing particle size, which would increase permeability and allow CO 2 and water to invade into small pore spaces more easily. The study also showed CO 2 flow patterns were dominated by dimensionless capillary number, changing from capillary finger to stable flow. The relative permeability curve was calculated using Brooks-Corey model, while the results showed the relative permeability of CO 2 slightly decreases with the increase of capillary number. Copyright © 2016 Elsevier Inc. All rights reserved.

Dispersion Morphology of Poly(methyl acrylate)/Silica Nanocomposites

DOE Office of Scientific and Technical Information (OSTI.GOV)

D Janes; J Moll; S Harton

Nearly monodisperse poly(methyl acrylate) (PMA) and spherical SiO{sub 2} nanoparticles (NP, d = 14 {+-} 4 nm) were co-cast from 2-butanone, a mutually good solvent and a displacer of adsorbed PMA from silica. The effects of NP content and post-casting sample history on the dispersion morphology were found by small-angle X-ray scattering supplemented by transmission electron microscopy. Analysis of the X-ray results show that cast and thermally annealed samples exhibited a nearly random particle dispersion. That the same samples, prior to annealing, were not well-dispersed is indicative of thermodynamic miscibility during thermal annealing over the range of NP loadings studied.more » A simple mean-field thermodynamic model suggests that miscibility results primarily from favorable polymer segment/NP surface interactions. The model also indicates, and experiments confirm, that subsequent exposure of the composites to the likely displacer ethyl acetate results in entropic destabilization and demixing into NP-rich and NP-lean phases.« less

Miscibility Gap Closure, Interface Morphology, and Phase Microstructure of 3D Li xFePO 4 Nanoparticles from Surface Wetting and Coherency Strain

DOE PAGES

Welland, Michael J.; Karpeyev, Dmitry; O’Connor, Devin T.; ...

2015-09-10

We study the mesoscopic effects which suppress phase-segregation in Li xFePO 4 nanoparticles using a multiphysics phase-field model implement on a high performance cluster. We simulate 3D spherical particles of radii from 3nm to 40nm and examine the equilibrium microstructure and voltage profiles as a they depend on size and overall lithiation. The model includes anisotropic, concentration-dependent elastic moduli, misfit strain, and facet dependent surface wetting within a Cahn-Hilliard formulation. Here, we find that the miscibility gap vanishes for particles of radius ~ 5 nm, and the solubility limits change with overall particle lithiation. The corresponding voltage plateau, indicative ofmore » phase-segregation, changes in extent and also vanishes. Surface wetting is found to have a strong effect on stabilizing a variety of microstructures, exaggerating the shifting of solubility limits, and shortening the voltage plateau.« less

Phase separation of comb polymer nanocomposite melts.

PubMed

Xu, Qinzhi; Feng, Yancong; Chen, Lan

2016-02-07

In this work, the spinodal phase demixing of branched comb polymer nanocomposite (PNC) melts is systematically investigated using the polymer reference interaction site model (PRISM) theory. To verify the reliability of the present method in characterizing the phase behavior of comb PNCs, the intermolecular correlation functions of the system for nonzero particle volume fractions are compared with our molecular dynamics simulation data. After verifying the model and discussing the structure of the comb PNCs in the dilute nanoparticle limit, the interference among the side chain number, side chain length, nanoparticle-monomer size ratio and attractive interactions between the comb polymer and nanoparticles in spinodal demixing curves is analyzed and discussed in detail. The results predict two kinds of distinct phase separation behaviors. One is called classic fluid phase boundary, which is mediated by the entropic depletion attraction and contact aggregation of nanoparticles at relatively low nanoparticle-monomer attraction strength. The second demixing transition occurs at relatively high attraction strength and involves the formation of an equilibrium physical network phase with local bridging of nanoparticles. The phase boundaries are found to be sensitive to the side chain number, side chain length, nanoparticle-monomer size ratio and attractive interactions. As the side chain length is fixed, the side chain number has a large effect on the phase behavior of comb PNCs; with increasing side chain number, the miscibility window first widens and then shrinks. When the side chain number is lower than a threshold value, the phase boundaries undergo a process from enlarging the miscibility window to narrowing as side chain length increases. Once the side chain number overtakes this threshold value, the phase boundary shifts towards less miscibility. With increasing nanoparticle-monomer size ratio, a crossover of particle size occurs, above which the phase separation is consistent with that of chain PNCs. The miscibility window for this condition gradually narrows while the other parameters of the PNCs system are held constant. These results indicate that the present PRISM theory can give molecular-level details of the underlying mechanisms of the comb PNCs. It is hoped that the results can be used to provide useful guidance for the future design control of novel, thermodynamically stable comb PNCs.

MISCIBILITY, SOLUBILITY, VISCOSITY, AND DENSITY MEASUREMENTS FOR R-236FA WITH POTENTIAL LUBRICANTS

EPA Science Inventory

The report gives results of miscibility, solubility, viscosity, and density measurements for refrigerant R-236fa and two potential lubricants . (The data are needed to determine the suitability of refrigerant/lubricant combinations for use in refrigeration systems.) The tested oi...

Miscibility, solubility, viscosity, and density measurements for R-236ea with four different Exxon lubricants. Final report, March 1995-March 1997

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kang, H.M.; Pate, M.B.

1999-06-15

The report discusses miscibility, solubility, viscosity, and density data for the refrigerant hydrofluorocarbon (HFC)-236ea (or R-236ea) and four lubricants supplied by Exxon Corporation. The miscibility tests were performed in a test facility consisting of a series of miniature test cells submerged in a constant temperature bath, precisely controlled over a range of {minus}50 to 90 C. Critical solution temperatures obtained from the miscibility data are presented for each refrigerant/lubricant combination. Data for the R-236ea in each of the test lubricants have been collected for refrigerant concentrations of 10--90%. The raw data have been presented, and the results have been summarized.more » Solubility, viscosity, and density data were also obtained for R-236ea mixed with the same four oils for a refrigerant concentration range of 0--40 wt% refrigerant over a temperature range of 30--100 C.« less

Miscible viscous fingering with chemical reaction involving precipitation.

NASA Astrophysics Data System (ADS)

Bae, Si-Kyun; Nagatsu, Yuichiro; Kato, Yoshihito; Tada, Yutaka

2007-11-01

When a reactive and miscible less-viscous liquid displaces a more-viscous liquid in a Hele-Shaw cell, reactive miscible viscous fingering takes place. The present study has experimentally examined how precipitation produced by chemical reaction affects miscible viscous fingering pattern. A 97 wt % glycerin solution containing iron(III) nitrate (yellow) and a solution containing potassium hexacyano ferrate(II) (colorless) were used as the more- and less-viscous liquids, respectively. In this case, the chemical reaction instantaneously takes place and produces the precipitation being dark blue in color. The experiments were done by varying reactant concentrations, the cell's gap width, and the displacement speed. We compared the patterns involving the precipitation reaction with those in the non-reactive cases. We have found fylfot-like pattern is observed, depending on the experimental condition, which has never been formed in the non-reactive experiments. As the reactant concentrations are increased or the displacement speed is decreased, the effects of the precipitation on the patterns are more pronounced.

Dynamic stabilization of the Rayleigh-Taylor instability of miscible liquids and the related "frozen waves"

NASA Astrophysics Data System (ADS)

Wolf, Gerd Gerhard H.

2018-02-01

Superimposed miscible liquids, the heavier one on top, when subjected to vibrations vertical to their interface (dynamic stabilization), can only be maintained for a certain period. A mechanism is presented explaining the resulting process of degradation and "anomalous diffusion" through that interface. Superimposed liquids, the lighter one on top, exposed to horizontal vibrations, develop a saw-tooth-like pattern called "frozen waves." These are subject to conditions similar to those of dynamic stabilization and, if miscible, thus can also only be maintained for a certain period. A further analysis of these processes would be desirable, also in view of their relation to analogue phenomena.

MISCIBILITY, SOLUBILITY, VISCOSITY, AND DENSITY MEASUREMENTS FOR R-236EA WITH FOUR DIFFERENT EXXON LUBRICANTS

EPA Science Inventory

The report discusses miscibility, solubility, viscosity, and density data for the refrigerant hydrofluorocarbon (HFC)-236ea (or R-236ea) and four lubricants supplied by Exxon Corporation. Such data are needed to determine the suitability of refrigerant/lubricant combinations for ...

How the flow affects the phase behaviour and microstructure of polymer nanocomposites.

PubMed

Stephanou, Pavlos S

2015-02-14

We address the issue of flow effects on the phase behaviour of polymer nanocomposite melts by making use of a recently reported Hamiltonian set of evolution equations developed on principles of non-equilibrium thermodynamics. To this end, we calculate the spinodal curve, by computing values for the nanoparticle radius as a function of the polymer radius-of-gyration for which the second derivative of the generalized free energy of the system becomes zero. Under equilibrium conditions, we recover the phase diagram predicted by Mackay et al. [Science 311, 1740 (2006)]. Under non-equilibrium conditions, we account for the extra terms in the free energy due to changes in the conformations of polymer chains by the shear flow. Overall, our model predicts that flow enhances miscibility, since the corresponding miscibility window opens up for non-zero shear rate values.

Brewster Angle Microscopy Study of Model Stratum Corneum Lipid Monolayers at the Air-Water Interface

NASA Astrophysics Data System (ADS)

Adams, Ellen; Champagne, Alex; William, Joseph; Allen, Heather

2012-04-01

As the first and last barrier in the body, the stratum corneum (SC) is essential to life. Understanding the interactions and organization of lipids within the SC provides insight into essential physiological processes, including water loss prevention and the adsorption of substances from the environment. Langmuir monolayers have long been used to study complex systems, such as biological membranes and marine aerosols, due to their ability to shed light on intermolecular interactions. In this study, lipid mixtures with varying cholesterol and cerebroside ratios were investigated at the air/water interface. Surface tension measurements along with Brewster angle microscopy (BAM) images were used to examine the lipid phase transitions. Results indicate that cholesterol and cerebrosides form miscible monolayers, exhibiting ideal behavior. BAM images of a singular, uniform collapse phase also suggest formation of a miscible monolayer.

Pharmaceutical applications of dynamic mechanical thermal analysis.

PubMed

Jones, David S; Tian, Yiwei; Abu-Diak, Osama; Andrews, Gavin P

2012-04-01

The successful development of polymeric drug delivery and biomedical devices requires a comprehensive understanding of the viscoleastic properties of polymers as these have been shown to directly affect clinical efficacy. Dynamic mechanical thermal analysis (DMTA) is an accessible and versatile analytical technique in which an oscillating stress or strain is applied to a sample as a function of oscillatory frequency and temperature. Through cyclic application of a non-destructive stress or strain, a comprehensive understanding of the viscoelastic properties of polymers may be obtained. In this review, we provide a concise overview of the theory of DMTA and the basic instrumental/operating principles. Moreover, the application of DMTA for the characterization of solid pharmaceutical and biomedical systems has been discussed in detail. In particular we have described the potential of DMTA to measure and understand relaxation transitions and miscibility in binary and higher-order systems and describe the more recent applications of the technique for this purpose. © 2011 Elsevier B.V. All rights reserved.

Low-gravity fluid dynamics and transport phenomena. Progress in Astronautics and Aeronautics. Vol. 130

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koster, J.N.; Sani, R.L.

1990-01-01

Various papers on low-gravity fluid dynamics and transport phenomena are presented. Individual topics addressed include: fluid management in low gravity, nucleate pool boiling in variable gravity, application of energy-stability theory to problems in crystal growth, thermosolutal convection in liquid HgCdTe near the liquidus temperature, capillary surfaces in microgravity, thermohydrodynamic instabilities and capillary flows, interfacial oscillators, effects of gravity jitter on typical fluid science experiments and on natural convection in a vertical cylinder. Also discussed are: double-diffusive convection and its effects under reduced gravity, segregation and convection in dendritic alloys, fluid flow and microstructure development, analysis of convective situations with themore » Soret effect, complex natural convection in low Prandtl number metals, separation physics, phase partitioning in reduced gravity, separation of binary alloys with miscibility gap in the melt, Ostwald ripening in liquids, particle cloud combustion in reduced gravity, opposed-flow flame spread with implications for combustion at microgravity.« less

An investigation into dispersion upon switching between solvents within a microfluidic system using a chemically resistant integrated optical refractive index sensor.

PubMed

Parker, Richard M; Gates, James C; Wales, Dominic J; Smith, Peter G R; Grossel, Martin C

2013-02-07

A planar Bragg grating device has been developed that is capable of detecting changes in the refractive index of a wide range of fluids including solvents, acids and bases. The integration of this high precision refractive index sensor within a chemically resistant microfluidic flow system has enabled the investigation of diverse fluid interactions. By cycling between different solvents, both miscible and immiscible, within the microfluidic system it is shown that the previous solvent determines the nature of the refractive index profile across the transition in composition. This solvent dispersion effect is investigated with particular attention to the methanol-water transition, where transients in refractive index are observed that are an order of magnitude larger in amplitude than the difference between the bulk fluids. The potential complications of such phenomenon are discussed together with an example of a device that exploits this effect for the unambiguous composition measurement of a binary solvent system.

CONTROLLING THE AQUEOUS MISCIBILITY OF IONIC LIQUIDS: A NOVEL AQUEOUS BIPHASIC SYSTEM FROM WATER-MISCIBLE IONIC LIQUID AND A WATER-STRUCTURING SALT. (R828257)

EPA Science Inventory

The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

Displacement front behavior of near miscible CO2 flooding in decane saturated synthetic sandstone cores revealed by magnetic resonance imaging.

PubMed

Liu, Yu; Teng, Ying; Jiang, Lanlan; Zhao, Jiafei; Zhang, Yi; Wang, Dayong; Song, Yongchen

2017-04-01

It is of great importance to study the CO 2 -oil two-phase flow characteristic and displacement front behavior in porous media, for understanding the mechanisms of CO 2 enhanced oil recovery. In this work, we carried out near miscible CO 2 flooding experiments in decane saturated synthetic sandstone cores to investigate the displacement front characteristic by using magnetic resonance imaging technique. Experiments were done in three consolidated sandstone cores with the permeabilities ranging from 80 to 450mD. The oil saturation maps and the overall oil saturation during CO 2 injections were obtained from the intensity of magnetic resonance imaging. Finally the parameters of the piston-like displacement fronts, including the front velocity and the front geometry factor (the length to width ratio) were analyzed. Experimental results showed that the near miscible vertical upward displacement is instable above the minimum miscible pressure in the synthetic sandstone cores. However, low permeability can restrain the instability to some extent. Copyright © 2016 Elsevier Inc. All rights reserved.

Fabrication of thermoplastic ductile films of chitin butyrate/poly(ɛ-caprolactone) blends and their cytocompatibility.

PubMed

Hashiwaki, Hiroki; Teramoto, Yoshikuni; Nishio, Yoshiyuki

2014-12-19

We fabricate thermoplastic films of chitin burtyrate (ChB)/poly(ɛ-caprolactone) (PCL) blends with different degree of miscibility (miscible (M), partially miscible (PM), and immiscible (IM)), and examined the feasibility as a cell scaffold system through evaluating mechanical properties and cytocompatibility. We found a remediation of the brittleness and an increase in ductility of ChB by blending PCL for the M and PM blends. The blend films were subjected to alkaline hydrolysis (2-M NaOH/37°C/48 h) with expectation of the improvement of the surface hydrophilicity and cell accessibility. ATR-FTIR spectroscopy of the alkaline-treated PM and IM films revealed that PCL component and ester side-chains of acyl chitin were selectively removed from the surface domain. L929 fibroblast cells well adhered and proliferated on these films. Therefore, the materials possess a great potential for the utilization as a thermoplastic cell scaffold in tissue engineering by adequate selection of the degree of miscibility and post treatment. Copyright © 2014 Elsevier Ltd. All rights reserved.

Preparation and Analysis of Co-precipitated, Biodegradable Poly-(Lactide-co-Glycolide) and Polyethylene Glycol Microspheres Prepared by Spray Drying

NASA Astrophysics Data System (ADS)

Javiya, Curie

Biodegradable poly-(d,l-lactide-co-glycolide) (PLGA) based microspheres are commonly used for numerous clinical applications. PEG is a widely used polymer due to its hydrophilic, biocompatible, and nontoxic nature. In this study, different blends of PLGA/PEG microspheres were prepared using a spray drying technique. The microspheres were spherical with maximum yield found to be 60.3% and average particle size in the range of 2.4 to 3.1 microm. Under the spray drying processing conditions, the polymers showed full miscibility slightly below 15% w/w and partial miscibility up to 20% w/w of PEG in the blended microspheres. At higher temperatures, PLGA and PEG were miscible in all proportions used for the blended microspheres. Blending 10% w/w PEG in PLGA membranes showed significant reduction in attachment of macrophages compared to PLGA membranes. The in-vitro response of macrophage towards the miscible blends of PLGA/PEG microspheres was further characterized. Results showed some reduction in macrophage viability and activation, however, significant effects with PLGA/PEG microspheres were not observed.

Richtmyer-Meshkov instability experiments of miscible and immiscible incompressible fluids

NASA Astrophysics Data System (ADS)

Krivets, Vitaliy; Holt, Brason; Mokler, Matthew; Jacobs, Jeffrey

2017-11-01

Experiments were conducted in a 3 m tall vertical drop tower setup. A flat interface separating two liquids of differing density is formed in the Plexiglas tank with the heavier fluid in the bottom and the lighter one on top. Two liquids pairs were utilized, one - miscible (isopropyl alcohol and a calcium nitrate water mixture) and the other immiscible (silicone oil with the same heavy liquid), both with Atwood near 0.2. The tank is mounted on a rail mounted sled at 2 m initial height where an initial perturbation is generated using vertical periodic motion with 10 Hz frequency and 1 mm displacement, thus producing 3D interfacial waves. An impulsive acceleration, with approximately 100g magnitude, is imparted to the sled by a rail mounted weight released and allowed to fall, impacting the sled from above. Both weight and sled then travel freely down the rails where they are smoothly decelerated at the bottom of drop tower by magnetic brakes. PLIF is used to visualize mixing process by seeding fluorescein in the bottom fluid and illuminating using laser diode from above forming thin vertical sheet. The resulting fluorescent image sequences are captured using a digital camera mounted to the sled operating at a 100 Hz framing rate. Comparisons of the measured growth of the mixing zone for both immiscible and miscible liquid combinations with theoretical models are presented.

Molecular Dynamics Simulation of Amorphous Hydroxypropylmethylcellulose and Its Mixtures With Felodipine and Water.

PubMed

Xiang, Tian-Xiang; Anderson, Bradley D

2017-03-01

Understanding drug-polymer molecular interactions, their miscibility, supersaturation potential, and the effects of water uptake may be invaluable for selecting amorphous polymer dispersions that can maximize the oral bioavailability of poorly water-soluble drugs. Molecular dynamics simulations were performed using a model for hydroxypropylmethylcellulose (HPMC) resembling the substitution patterns found experimentally. HPMC at low and high water contents (0.9%-23.0% wt/wt) and mixtures with a hydrophobic drug, felodipine (FEL), were constructed. T g values and densities after ∼30 ns aging at 298 K were close to published results. Except for hydrogen bonds (HBs) between the 5-O- and a 3-OH group in a neighboring repeat unit, HPMC oxygen atoms have a low HB probability (p < 0.1) perhaps due to shielding by surrounding substituents. Water molecules tend to be isolated at low water content while clusters were prevalent at ≥10.7% water. The Flory-Huggins FEL-HPMC interaction parameter (-0.20 ± 0.07) predicts complete miscibility at all HPMC compositions, in agreement with experiments. However, HBs between the FEL-N-H and HPMC favoring miscibility are disrupted with increasing water. Apparent diffusion coefficients versus water content were generated for water and FEL and a theory for the non-Einsteinian nature of water diffusion is proposed. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Melt Miscibility in Block Copolymers Containing Polyethylene and Substituted Polynorbornenes

NASA Astrophysics Data System (ADS)

Mulhearn, William; Register, Richard

Very few polymer species exist with a sufficiently weak repulsive interaction against polyethylene (PE), characterized by a low Flory parameter χ or interaction energy density X, to be useful for preparing PE-containing block copolymers with disordered melts at high molecular weights. Most suitably miscible polymers are chemically similar to PE, such as copolymers of ethylene with a minority content of an α-olefin, and so are only marginally useful for property modification due to similar physical properties like the glass transition temperature (Tg) . However, the family of polymers consisting of substituted norbornenes prepared via ring-opening metathesis polymerization (ROMP) and subsequent hydrogenation is unique in that many of its members exhibit very low X against PE (comparable with the interaction energy between poly(ethylene-alt-propylene) and PE), and some of these also exhibit high Tg. The miscibility between PE and a substituted, hydrogenated ROMP polynobornene, or between two dissimilar hydrogenated polynorbornenes, is a strong function of the substituent appended to the norbornene monomer. The mixing thermodynamics of this polymer series are irregular, in that the interaction energies do not follow X = (δ1 - δ2)2 where δ is the solubility parameter. However, other systematic trends do apply and we develop a set of mixing rules to quantitatively describe the experimental miscibility behavior. We also investigate statistical copolymerization of two norbornene monomers as a means to continuously tune miscibility with a homopolymer of a third monomer.

Miscibility and in vitro osteocompatibility of biodegradable blends of poly[(ethyl alanato) (p-phenyl phenoxy) phosphazene] and poly(lactic acid-glycolic acid).

PubMed

Deng, Meng; Nair, Lakshmi S; Nukavarapu, Syam P; Kumbar, Sangamesh G; Jiang, Tao; Krogman, Nicholas R; Singh, Anurima; Allcock, Harry R; Laurencin, Cato T

2008-01-01

Previously we demonstrated the ability of ethyl glycinato substituted polyphosphazenes to neutralize the acidic degradation products and control the degradation rate of poly(lactic acid-glycolic acid) (PLAGA) by blending. In this study, blends of high strength poly[(50% ethyl alanato) (50% p-phenyl phenoxy) phosphazene] (PNEA(50)PhPh(50)) and 85:15 PLAGA were prepared using a mutual solvent approach. Three different solvents, methylene chloride (MC), chloroform (CF) and tetrahydrofuran (THF) were studied to investigate solvent effects on blend miscibility. Three different blends were then fabricated at various weight ratios namely 25:75 (BLEND25), 50:50 (BLEND50), and 75:25 (BLEND75) using THF as the mutual solvent. The miscibility of the blends was evaluated by scanning electron microscopy (SEM), differential scanning calorimetry (DSC), and Fourier transform infrared spectroscopy (FTIR). Among these, BLEND25 was miscible while BLEND50 and BLEND75 were partially miscible. Furthermore, BLEND25 formed apatite layers on its surface as evidenced in a biomimetic study performed. These novel blends showed cell adhesion and proliferation comparable to PLAGA. However, the PNEA(50)PhPh(50) component in the blends was able to increase the phenotypic expression and mineralized matrix synthesis of the primary rat osteoblasts (PRO) in vitro. Blends of high strength PNEA(50)PhPh(50) and 85:15 PLAGA are promising biomaterials for a variety of musculoskeletal applications.

Magnetic resonance imaging study on near miscible supercritical CO2 flooding in porous media

NASA Astrophysics Data System (ADS)

Song, Yongchen; Zhu, Ningjun; Zhao, Yuechao; Liu, Yu; Jiang, Lanlan; Wang, Tonglei

2013-05-01

CO2 flooding is one of the most popular secondary or tertiary recoveries for oil production. It is also significant for studying the mechanisms of the two-phase and multiphase flow in porous media. In this study, an experimental study was carried out by using magnetic resonance imaging technique to examine the detailed effects of pressure and rates on CO2/decane flow in a bead-pack porous media. The displacing processes were conducted under various pressures in a region near the minimum miscibility pressure (the system tuned from immiscible to miscible as pressure is increasing in this region) and the temperature of 37.8 °C at several CO2 injection volumetric rates of 0.05, 0.10, and 0.15 ml/min (or linear rates of 3.77, 7.54, and 11.3 ft/day). The evolution of the distribution of decane and the characteristics of the two phase flow were investigated and analyzed by considering the pressure and rate. The area and velocity of the transition zone between the two phases were calculated and analyzed to quantify mixing. The area of transition zone decreased with pressure at near miscible region and a certain injection rate and the velocity of the transition zone was always less than the "volumetric velocity" due to mutual solution and diffusion of the two phases. Therefore, these experimental results give the fundamental understanding of tertiary recovery processes at near miscible condition.

The Dynamics of Miscible Interfaces: Simulations

NASA Technical Reports Server (NTRS)

Meiburg, Eckart

2002-01-01

The goal of this experimental/computational investigation (joint with Prof Maxworthy at USC) has been to study the dynamics of miscible interfaces, both from a scientific and a practical point of view, and to prepare a related experiment to be flown on the International Space Station. In order to address these effects, we have focused experimental and computational investigations on miscible displacements in cylindrical capillary tubes, as well as in Hele-Shaw cells. Regarding the flow in a capillary tube, the question was addressed as to whether Korteweg stresses and/or divergence effects can potentially account for discrepancies observed between conventional Stokes flow simulations and experiments for miscible flows in capillary tubes. An estimate of the vorticity and streamfunction fields induced by the Kortewegs stresses was derived, which shows these stresses to result in the formation of a vortex ring structure near the tip of the concentration front. Through this mechanism the propagation velocity of the concentration front is reduced, in agreement with the experimental observations. Divergence effects, on the other hand, were seen to be very small, and they have a negligible influence on the tip velocity. As a result, it can be concluded that they are not responsible for the discrepancies between experiments and conventional Stokes simulations. A further part of our investigation focussed on the development of high-accuracy three-dimensional spectral element simulation techniques for miscible flows in capillary tubes, including the effects of variable density and viscosity. Towards this end, the conservation equations are treated in cylindrical coordinates.

Formation and Evolution of Target Patterns in Cahn-Hilliard Flows: An Extension of the Flux Expulsion Studies in MHD

NASA Astrophysics Data System (ADS)

Fan, Xiang; P H Diamond Collaboration; Luis Chacon Collaboration

2017-10-01

Spinodal decomposition is a second order phase transition for a binary liquid mixture to evolve from a miscible phase (e.g., water + alcohol) to two co-existing phases (e.g., water + oil). The Cahn-Hilliard model for spinodal decomposition is analogous to 2D MHD. We study the evolution of the concentration field in a single eddy in the 2D Cahn-Hilliard system to better understand scalar mixing processes in that system. This study extends investigations of the classic studies of flux expulsion in 2D MHD and homogenization of potential vorticity in 2D fluids. Simulation results show that there are three stages in the evolution: (A) formation of a ``jelly roll'' pattern, for which the concentration field is constant along spirals; (B) a change in isoconcentration contour topology; and (C) formation of a target pattern, for which the isoconcentration contours follow concentric annuli. In the final target pattern stage, the isoconcentration bands align with stream lines. The results indicate that the target pattern is a metastable state. Band merger process continues on a time scale exponentially long relative to the eddy turnover time. The band merger process resembles step merger in drift-ZF staircases. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences, under Award Number DE-FG02-04ER54738.

Mixing in three-phase systems: Implications for enhanced oil recovery and unconventional gas extraction

NASA Astrophysics Data System (ADS)

Jimenez-Martinez, J.; Porter, M. L.; Hyman, J.; Carey, J. W.; Viswanathan, H. S.

2015-12-01

Although the mixing of fluids within a porous media is a common process in natural and industrial systems, how the degree of mixing depends on the miscibility of multiple phases is poorly characterized. Often, the direct consequence of miscible mixing is the modification of the resident fluid (brine and hydrocarbons) rheological properties. We investigate supercritical (sc)CO2 displacement and mixing processes in a three-phase system (scCO2, oil, and H2O) using a microfluidics experimental system that accommodates the high pressures and temperatures encountered in fossil fuel extraction operations. The miscibility of scCO2 with the resident fluids, low with aqueous solutions and high with hydrocarbons, impacts the mixing processes that control sweep efficiency in enhanced oil recovery (EOR) and the unlocking of the system in unconventional oil and gas extraction. Using standard volume-averaging techniques we upscale the aqueous phase saturation to the field-scale (i.e., Darcy scale) and interpret the results as a simpler two-phase system. This process allows us to perform a statistical analysis to quantify i) the degree of heterogeneity in the system resulting from the immiscible H2O and ii) how that heterogeneity impacts mixing between scCO2 and oil and their displacement. Our results show that when scCO2 is used for miscible displacement, the presence of an aqueous solution, which is common in secondary and tertiary EOR and unconventional oil and gas extraction, strongly impacts the mixing of scCO2 with the hydrocarbons due to low scCO2-H2O miscibility. H2O, which must be displaced advectively by the injected scCO2, introduces spatio-temporal variability into the system that acts as a barrier between the two miscibile fluids. This coupled with the effect of viscosity contrast, i.e., viscous fingering, has an impact on the mixing of the more miscible pair.

Stabilization of a finite slice in miscible displacement in homogeneous porous media

NASA Astrophysics Data System (ADS)

Pramanik, Satyajit; Mishra, Manoranjan

2016-11-01

We numerically studied the miscible displacement of a finite slice of variable viscosity and density. The stability of the finite slice depends on different flow parameters, such as displacement velocity U, mobility ratio R , and the density contrast. Series of numerical simulations corresponding to different ordered pair (R, U) in the parameter space, and a given density contrast reveal six different instability regions. We have shown that independent of the width of the slice, there always exists a region of stable displacement, and below a critical value of the slice width, this stable region increases with decreasing slice width. Further we observe that the viscous fingering (buoyancy-induced instability) at the upper interface induces buoyancy-induced instability (viscous fingering) at the lower interface. Besides the fundamental fluid dynamics understanding, our results can be helpful to model CO2 sequestration and chromatographic separation.

Internal density waves of shock type induced by chemoconvection in miscible reacting liquids

NASA Astrophysics Data System (ADS)

Bratsun, D. A.

2017-10-01

A theoretical explanation of the phenomenon of spontaneous emergence of density waves experimentally observed recently in bilayered systems of miscible liquids placed in a narrow vertical gap of the Hele-Shaw cell in the gravitational field is provided. Upper and lower layers represent aqueous solutions of acids and bases, respectively, whose contact leads to the beginning of a neutralization reaction. The process is accompanied by a strong dependence of the reagent's diffusion coefficients on their concentrations, giving rise to the generation of local density pockets, in which convection develops. The cavities collapse under certain conditions, causing a density jump, which moves faster than typical perturbations in a medium and takes the form of a shock wave. A mathematical model of the phenomenon is proposed, which can be formally reduced to equations of motion of a compressible gas under certain assumptions. Numerical calculations are given and compared with the experimental data.

Post waterflood CO{sub 2} miscible flood in light oil, fluvial-dominated deltaic reservoir. FY 1993 annual report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davis, D.W.

1995-03-01

The project is a Class 1 DOE-sponsored field demonstration project of a CO{sub 2} miscible flood project at the Port Neches Field in Orange County, Texas. The project will determine the recovery efficiency of CO{sub 2} flooding a waterflooded and a partial waterdrive sandstone reservoir at a depth of 5,800. The project will also evaluate the use of a horizontal CO{sub 2} injection well placed at the original oil-water contact of the waterflooded reservoir. A PC-based reservoir screening model will be developed by Texaco`s research lab in Houston and Louisiana State University will assist in the development of a databasemore » of fluvial-dominated deltaic reservoirs where CO{sub 2} flooding may be applicable. This technology will be transferred throughout the oil industry through a series of technical papers and industry open forums.« less

Development of a Polarizable Force Field for Molecular Dynamics Simulations of Poly (Ethylene Oxide) in Aqueous Solution.

PubMed

Starovoytov, Oleg N; Borodin, Oleg; Bedrov, Dmitry; Smith, Grant D

2011-06-14

We have developed a quantum chemistry-based polarizable potential for poly(ethylene oxide) (PEO) in aqueous solution based on the APPLE&P polarizable ether and the SWM4-DP polarizable water models. Ether-water interactions were parametrized to reproduce the binding energy of water with 1,2-dimethoxyethane (DME) determined from high-level quantum chemistry calculations. Simulations of DME-water and PEO-water solutions at room temperature using the new polarizable potentials yielded thermodynamic properties in good agreement with experimental results. The predicted miscibility of PEO and water as a function of the temperature was found to be strongly correlated with the predicted free energy of solvation of DME. The developed nonbonded force field parameters were found to be transferrable to poly(propylene oxide) (PPO), as confirmed by capturing, at least qualitatively, the miscibility of PPO in water as a function of the molecular weight.

Oscillatory interfacial instability between miscible fluids

NASA Astrophysics Data System (ADS)

Shevtsova, Valentina; Gaponenko, Yuri; Mialdun, Aliaksandr; Torregrosa, Marita; Yasnou, Viktar

Interfacial instabilities occurring between two fluids are of fundamental interest in fluid dynamics, biological systems and engineering applications such as liquid storage, solvent extraction, oil recovery and mixing. Horizontal vibrations applied to stratified layers of immiscible liquids may generate spatially periodic waving of the interface, stationary in the reference frame of the vibrated cell, referred to as a "frozen wave". We present experimental evidence that frozen wave instability exists between two ordinary miscible liquids of similar densities and viscosities. At the experiments and at the numerical model, two superimposed layers of ordinary liquids, water-alcohol of different concentrations, are placed in a closed cavity in a gravitationally stable configuration. The density and viscosity of these fluids are somewhat similar. Similar to the immiscible fluids this instability has a threshold. When the value of forcing is increased the amplitudes of perturbations grow continuously displaying a saw-tooth structure. The decrease of gravity drastically changes the structure of frozen waves.

Phase Equilibrium Investigation on 2-Phenylethanol in Binary and Ternary Systems: Influence of High Pressure on Density and Solid-Liquid Phase Equilibrium.

PubMed

Domańska, Urszula; Królikowski, Marek; Wlazło, Michał; Więckowski, Mikołaj

2018-05-30

Ionic liquids (ILs) are important new solvents proposed for applications in different separation processes. Herein, an idea of possible use of high pressure in a general strategy of production of 2-phenylethanol (PEA) is discussed. In this work, we present the influence of pressure on the density in binary systems of {1-hexyl-1-methylpyrrolidynium bis{(trifluoromethyl)sulfonyl}imide, [HMPYR][NTf 2 ], or 1-dodecyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide, [DoMIM][NTf 2 ] + PEA} in a wide range of temperatures (298.15-348.15 K) and pressures (0.1-40 MPa). The densities at ambient and high pressures are measured to present the physicochemical properties of the ILs used in the process of separation of PEA from aqueous phase. The Tait equation was used for the correlation of density of one-component and two-component systems as a function of mole fraction, temperature, and pressure. The influence of pressure is not significant. These systems exhibit mainly negative molar excess volumes, V E . The solid-liquid phase equilibrium (SLE) of [DoMIM][NTf 2 ] in PEA at atmospheric pressure was measured and compared to the SLE high-pressure results. Additionally, the ternary liquid-liquid phase equilibrium (LLE) at ambient pressure in the {[DoMIM][NTf 2 ] (1) + PEA (2) + water (3)} at temperature T = 308.15 K was investigated. The solubility of water in the [DoMIM][NTf 2 ] is quite high in comparison with that measured by us earlier for ILs ( x 3 = 0.403) at T = 308.15 K, which results in not very successful average selectivity of extraction of PEA from the aqueous phase. The [DoMIM][NTf 2 ] has shown strong interaction with PEA without the immiscibility region. The ternary system revealed Treybal's type phase equilibrium in which two partially miscible binaries ([DoMIM][NTf 2 ] + water) and (PEA + water) exist. From the results of LLE in the ternary system, the selectivity and the solute distribution ratio of separation of water/PEA were calculated and compared to the results obtained for the ILs measured earlier by us. The popular NRTL model was used to correlate the experimental tie-lines in ternary LLE. These results may help in a new technological project of "in situ" extraction of PEA from aqueous phase during the biosynthesis.

Thermodynamic behavior of the binaries 1-butylpyridinium tetrafluoroborate with water and alkanols: their interpretation using 1H NMR spectroscopy and quantum-chemistry calculations.

PubMed

Vreekamp, Remko; Castellano, Desire; Palomar, José; Ortega, Juan; Espiau, Fernando; Fernández, Luís; Penco, Eduvigis

2011-07-14

Here we present experimental data of different properties for a set of binary mixtures composed of water or alkanols (methanol to butanol) with an ionic liquid (IL), butylpyridinium tetrafluoroborate [bpy][BF(4)]. Solubility data (x(IL),T) are presented for each of the mixtures, including water, which is found to have a small interval of compositions in IL, x(IL), with immiscibility. In each case, the upper critical solubility temperature (UCST) is determined and a correlation was observed between the UCST and the nature of the compounds in the mixtures. Miscibility curves establish the composition and temperature intervals where thermodynamic properties of the mixtures, such as enthalpies H(m)(E) and volumes V(m)(E), can be determined. Hence, at 298.15 and 318.15 K these can only be found with the first four alkanols. All mixing properties are correlated with a suitable equation ξ (x(IL),T,Y(m)(E) = 0. An analysis on the influence of the temperature in the properties is shown, likewise a comparison between the results obtained here and those of analogous mixtures, discussing the position of the -CH(3) group in the pyridinic ring. The (1)H NMR spectra are determined to analyze the molecular interactions present, especially those due to hydrogen bonds. Additional information about the molecular interactions and their influence on the mixing properties is obtained by quantum chemistry calculations. © 2011 American Chemical Society

Physico-Chemical Properties and Phase Behaviour of Pyrrolidinium-Based Ionic Liquids

PubMed Central

Domańska, Urszula

2010-01-01

A review of the relevant literature on 1-alkyl-1-methylpyrrolidinium-based ionic liquids has been presented. The phase diagrams for the binary systems of {1-ethyl-1-methylpyrrolidinium trifluoromethanesulfonate (triflate) [EMPYR][CF3SO3] + water, or + 1-butanol} and for the binary systems of {1-propyl-1-methylpyrrolidinium trifluoromethanesulfonate (triflate) [PMPYR][CF3SO3] + water, or + an alcohol (1-butanol, 1-hexanol, 1-octanol, 1-decanol)} have been determined at atmospheric pressure using a dynamic method. The influence of alcohol chain length was discussed for the [PMPYR][CF3SO3]. A systematic decrease in the solubility was observed with an increase of the alkyl chain length of an alcohol. (Solid + liquid) phase equilibria with complete miscibility in the liquid phase region were observed for the systems involving water and alcohols. The solubility of the ionic liquid increases as the alkyl chain length on the pyrrolidinium cation increases. The correlation of the experimental data has been carried out using the Wilson, UNIQUAC and the NRTL equations. The phase diagrams reported here have been compared to the systems published earlier with the 1-alkyl-1-methylpyrrolidinium-based ionic liquids. The influence of the cation and anion on the phase behaviour has been discussed. The basic thermal properties of pure ILs, i.e., melting temperature and the enthalpy of fusion, the solid-solid phase transition temperature and enthalpy have been measured using a differential scanning microcalorimetry technique. PMID:20480044

Continuous melt granulation: Influence of process and formulation parameters upon granule and tablet properties.

PubMed

Monteyne, Tinne; Vancoillie, Jochem; Remon, Jean-Paul; Vervaet, Chris; De Beer, Thomas

2016-10-01

The pharmaceutical industry has a growing interest in alternative manufacturing models allowing automation and continuous production in order to improve process efficiency and reduce costs. Implementing a switch from batch to continuous processing requires fundamental process understanding and the implementation of quality-by-design (QbD) principles. The aim of this study was to examine the relationship between formulation-parameters (type binder, binder concentration, drug-binder miscibility), process-parameters (screw speed, powder feed rate and granulation temperature), granule properties (size, size distribution, shape, friability, true density, flowability) and tablet properties (tensile strength, friability, dissolution rate) of four different drug-binder formulations using Design of experiments (DOE). Two binders (polyethylene glycol (PEG) and Soluplus®) with a different solid state, semi-crystalline vs amorphous respectively, were combined with two model-drugs, metoprolol tartrate (MPT) and caffeine anhydrous (CAF), both having a contrasting miscibility with the binders. This research revealed that the granule properties of miscible drug-binder systems depended on the powder feed rate and barrel filling degree of the granulator whereas the granule properties of immiscible systems were mainly influenced by binder concentration. Using an amorphous binder, the tablet tensile strength depended on the granule size. In contrast, granule friability was more important for tablet quality using a brittle binder. However, this was not the case for caffeine-containing blends, since these phenomena were dominated by the enhanced compression properties of caffeine Form I, which was formed during granulation. Hence, it is important to gain knowledge about formulation behavior during processing since this influences the effect of process parameters onto the granule and tablet properties. Copyright © 2016 Elsevier B.V. All rights reserved.

BIODEGRADATION DURING CONTAMINANT TRANSPORT IN POROUS MEDIA. 4. IMPACT OF MICROBIAL LAG AND BACTERIAL CELL GROWTH. (R825415)

EPA Science Inventory

Abstract

Miscible-displacement experiments were conducted to examine the impact of microbial lag and bacterial cell growth on the transport of salicylate, a model hydrocarbon compound. The impacts of these processes were examined separately, as well as jointly, to dete...

Host polymer influence on dilute polystyrene segmental dynamics

NASA Astrophysics Data System (ADS)

Lutz, T. R.

2005-03-01

We have utilized deuterium NMR to investigate the segmental dynamics of dilute (2%) d3-polystyrene (PS) chains in miscible polymer blends with polybutadiene, poly(vinyl ethylene), polyisoprene, poly(vinyl methylether) and poly(methyl methacrylate). In the dilute limit, we find qualitative differences depending upon whether the host polymer has dynamics that are faster or slower than that of pure PS. In blends where PS is the fast (low Tg) component, segmental dynamics are slowed upon blending and can be fit by the Lodge-McLeish model. When PS is the slow (high Tg) component, PS segmental dynamics speed up upon blending, but cannot be fit by the Lodge-McLeish model unless a temperature dependent self-concentration is employed. These results are qualitatively consistent with a recent suggestion by Kant, Kumar and Colby (Macromolecules, 2003, 10087), based upon data at higher concentrations. Furthermore, as the slow component, we find the segmental dynamics of PS has a temperature dependence similar to that of its host. This suggests viewing the high Tg component dynamics in a miscible blend as similar to a polymer in a low molecular weight solvent.

Quantitative relations between interaction parameter, miscibility and function in organic solar cells

NASA Astrophysics Data System (ADS)

Ye, Long; Hu, Huawei; Ghasemi, Masoud; Wang, Tonghui; Collins, Brian A.; Kim, Joo-Hyun; Jiang, Kui; Carpenter, Joshua H.; Li, Hong; Li, Zhengke; McAfee, Terry; Zhao, Jingbo; Chen, Xiankai; Lai, Joshua Lin Yuk; Ma, Tingxuan; Bredas, Jean-Luc; Yan, He; Ade, Harald

2018-03-01

Although it is known that molecular interactions govern morphology formation and purity of mixed domains of conjugated polymer donors and small-molecule acceptors, and thus largely control the achievable performance of organic solar cells, quantifying interaction-function relations has remained elusive. Here, we first determine the temperature-dependent effective amorphous-amorphous interaction parameter, χaa(T), by mapping out the phase diagram of a model amorphous polymer:fullerene material system. We then establish a quantitative `constant-kink-saturation' relation between χaa and the fill factor in organic solar cells that is verified in detail in a model system and delineated across numerous high- and low-performing materials systems, including fullerene and non-fullerene acceptors. Our experimental and computational data reveal that a high fill factor is obtained only when χaa is large enough to lead to strong phase separation. Our work outlines a basis for using various miscibility tests and future simulation methods that will significantly reduce or eliminate trial-and-error approaches to material synthesis and device fabrication of functional semiconducting blends and organic blends in general.

Miscibility and in vitro osteocompatibility of biodegradable blends of poly[(ethyl alanato) (p-phenyl phenoxy) phosphazene] and poly(lactic acid-glycolic acid)

PubMed Central

Deng, Meng; Nair, Lakshmi S.; Nukavarapu, Syam P.; Kumbar, Sangamesh G.; Jiang, Tao; Krogman, Nicholas R.; Singh, Anurima; Allcock, Harry R.; Laurencin, Cato T.

2007-01-01

Previously we demonstrated the ability of ethyl glycinato substituted polyphosphazenes to neutralize the acidic degradation products and control the degradation rate of poly(lactic acid-glycolic acid) by blending. In this study, blends of high strength poly[(50% ethyl alanato) (50% p-phenyl phenoxy) phosphazene] (PNEA50PhPh50) and 85:15 poly(lactic acid-glycolic acid) (PLAGA) were prepared using a mutual solvent approach. Three different solvents, methylene chloride (MC), chloroform (CF) and tetrahydrofuran (THF) were studied to investigate solvent effects on blend miscibility. Three different blends were then fabricated at various weight ratios namely 25:75 (BLEND25), 50:50 (BLEND50), and 75:25 (BLEND75) using THF as the mutual solvent. The miscibility of the blends was evaluated by scanning electron microscopy (SEM), differential scanning calorimetry (DSC), and Fourier transform infrared spectroscopy (FTIR). Among these, BLEND25 was miscible while BLEND50 and BLEND75 were partially miscible. Furthermore, BLEND25 formed apatite layers on its surface as evidenced in a biomimetic study performed. These novel blends showed cell adhesion and proliferation comparable to PLAGA. However, the PNEA50PhPh50 component in the blends was able to increase the phenotypic expression and mineralized matrix synthesis of the primary rat osteoblasts (PRO) in vitro. Blends of high strength poly[(50% ethyl alanato) (50% p-phenyl phenoxy) phosphazene] (PNEA50PhPh50) and 85:15 poly(lactic acid-glycolic acid) (PLAGA) are promising biomaterials for a variety of musculoskeletal applications. PMID:17942150

Miscibility of poly(lactic acid) and poly(ethylene oxide) solvent polymer blends and nanofibers made by solution blow spinning

USDA-ARS?s Scientific Manuscript database

The miscibility of blends of poly(lactic acid) (PLA) and poly(ethylene oxide) (PEO) was studied in polymer solutions by dilute solution viscometry and in solution blow spun nanofibers by microscopy (SEM, TEM) and by thermal and spectral analysis. Three blends of PLA and PEO were solution blended in...

Effects of g-Jitter on Diffusion in Binary Liquids

NASA Technical Reports Server (NTRS)

Duval, Walter M. B.

1999-01-01

The microgravity environment offers the potential to measure the binary diffusion coefficients in liquids without the masking effects introduced by buoyancy-induced flows due to Earth s gravity. However, the background g-jitter (vibrations from the shuttle, onboard machinery, and crew) normally encountered in many shuttle experiments may alter the benefits of the microgravity environment and introduce vibrations that could offset its intrinsic advantages. An experiment during STS-85 (August 1997) used the Microgravity Vibration Isolation Mount (MIM) to isolate and introduce controlled vibrations to two miscible liquids inside a cavity to study the effects of g-jitter on liquid diffusion. Diffusion in a nonhomogeneous liquid system is caused by a nonequilibrium condition that results in the transport of mass (dispersion of the different kinds of liquid molecules) to approach equilibrium. The dynamic state of the system tends toward equilibrium such that the system becomes homogeneous. An everyday example is the mixing of cream and coffee (a nonhomogeneous system) via stirring. The cream diffuses into the coffee, thus forming a homogeneous system. At equilibrium the system is said to be mixed. However, during stirring, simple observations show complex flow field dynamics-stretching and folding of material interfaces, thinning of striation thickness, self-similar patterns, and so on. This example illustrates that, even though mixing occurs via mass diffusion, stirring to enhance transport plays a major role. Stirring can be induced either by mechanical means (spoon or plastic stirrer) or via buoyancy-induced forces caused by Earth s gravity. Accurate measurements of binary diffusion coefficients are often inhibited by buoyancy-induced flows. The microgravity environment minimizes the effect of buoyancy-induced flows and allows the true diffusion limit to be achieved. One goal of this experiment was to show that the microgravity environment suppresses buoyancy-induced convection, thereby mass diffusion becomes the dominant mechanism for transport. Since g-jitter transmitted by the shuttle to the experiment can potentially excite buoyancy-induced flows, we also studied the effects of controlled vibrations on the system.

DEVELOPMENT AND OPTIMIZATION OF GAS-ASSISTED GRAVITY DRAINAGE (GAGD) PROCESS FOR IMPROVED LIGHT OIL RECOVERY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dandina N. Rao

This is the first Annual Technical Progress Report being submitted to the U. S. Department of Energy on the work performed under the Cooperative Agreement DE-FC26-02NT15323. This report follows two other progress reports submitted to U.S. DOE during the first year of the project: The first in April 2003 for the project period from October 1, 2002 to March 31, 2003, and the second in July 2003 for the period April 1, 2003 to June 30, 2003. Although the present Annual Report covers the first year of the project from October 1, 2002 to September 30, 2003, its contents reflectmore » mainly the work performed in the last quarter (July-September, 2003) since the work performed during the first three quarters has been reported in detail in the two earlier reports. The main objective of the project is to develop a new gas-injection enhanced oil recovery process to recover the oil trapped in reservoirs subsequent to primary and/or secondary recovery operations. The project is divided into three main tasks. Task 1 involves the design and development of a scaled physical model. Task 2 consists of further development of the vanishing interfacial tension (VIT) technique for miscibility determination. Task 3 involves the determination of multiphase displacement characteristics in reservoir rocks. Each technical progress report, including this one, reports on the progress made in each of these tasks during the reporting period. Section I covers the scaled physical model study. A survey of literature in related areas has been conducted. Test apparatus has been under construction throughout the reporting period. A bead-pack visual model, liquid injection system, and an image analysis system have been completed and used for preliminary experiments. Experimental runs with decane and paraffin oil have been conducted in the bead pack model. The results indicate the need for modifications in the apparatus, which are currently underway. A bundle of capillary tube model has been considered and formulated aiming to reveal the interplay of the viscous, interfacial and gravity forces and to predict the gravity drainage performance. Scaling criteria for the scaled physical model design have been proposed based on an inspectional analysis. In Section II, equation of state (EOS) calculations were extended to study the effect of different tuning parameters on MMP for two reservoir crude oils of Rainbow Keg River and Terra Nova. This study indicates that tuning of EOS may not always be advisable for miscibility determination. Comparison of IFT measurements for benzene in water, ethanol mixtures with the solubility data from the literature showed that a strong mutual relationship between these two thermodynamic properties exists. These preliminary experiments indicate applicability of the new vanishing interfacial tension (VIT) technique to determine miscibility of ternary liquid systems. The VIT experimental apparatus is under construction with considerations of expanded capacity of using equilibrated fluids and a new provision for low IFT measurement in gas-oil systems. In Section III, recommendations in the previous progress reports have been investigated in this reporting period. WAG coreflood experiments suggest the use of ''Hybrid''-WAG type floods for improved CO{sub 2} utilization factors and recoveries. The effect of saturating the injection water with CO{sub 2} for core-floods has been investigated further in this quarter. Miscible WAG floods using CO{sub 2} saturated brine showed higher recoveries (89.2% ROIP) compared to miscible WAG floods using normal brine (72.5%). Higher tertiary recovery factors (TRF) were also observed for WAG floods using CO{sub 2} saturated brine due to improved mobility ratio and availability of CO{sub 2}. Continued experimentation for evaluation of both, ''Hybrid''-WAG and gravity stable type displacements, in Berea sandstone cores using synthetic as well as real reservoir fluids are planned for the next quarter.« less

Dynamics of miscible displacements in round tubes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meiburg, E.; Maxworthy, T.; Chen, C.Y.

A combined experimental and numerical investigation of miscible two-phase flow in a capillary tube is reported. The fraction of fluid left behind on the wall is obtained as a function of the Peclet, Atwood, and Froude numbers. Scaling arguments are presented for two distinct flow regimes, dominated by diffusion and convection, respectively. In the latter one, an effective surface tension value can be estimated.

Phase Behaviour and Miscibility Studies of Collagen/Silk Fibroin Macromolecular System in Dilute Solutions and Solid State.

PubMed

Ghaeli, Ima; de Moraes, Mariana A; Beppu, Marisa M; Lewandowska, Katarzyna; Sionkowska, Alina; Ferreira-da-Silva, Frederico; Ferraz, Maria P; Monteiro, Fernando J

2017-08-18

Miscibility is an important issue in biopolymer blends for analysis of the behavior of polymer pairs through the detection of phase separation and improvement of the mechanical and physical properties of the blend. This study presents the formulation of a stable and one-phase mixture of collagen and regenerated silk fibroin (RSF), with the highest miscibility ratio between these two macromolecules, through inducing electrostatic interactions, using salt ions. For this aim, a ternary phase diagram was experimentally built for the mixtures, based on observations of phase behavior of blend solutions with various ratios. The miscibility behavior of the blend solutions in the miscible zones of the phase diagram was confirmed quantitatively by viscosimetric measurements. Assessing the effects of biopolymer mixing ratio and salt ions, before and after dialysis of blend solutions, revealed the importance of ion-specific interactions in the formation of coacervate-based materials containing collagen and RSF blends that can be used in pharmaceutical, drug delivery, and biomedical applications. Moreover, the conformational change of silk fibroin from random coil to beta sheet, in solution and in the final solid films, was detected by circular dichroism (CD) and Fourier transform infrared spectroscopy (FTIR), respectively. Scanning electron microscopy (SEM) exhibited alterations of surface morphology for the biocomposite films with different ratios. Surface contact angle measurement illustrated different hydrophobic properties for the blended film surfaces. Differential scanning calorimetry (DSC) showed that the formation of the beta sheet structure of silk fibroin enhances the thermal stability of the final blend films. Therefore, the novel method presented in this study resulted in the formation of biocomposite films whose physico-chemical properties can be tuned by silk fibroin conformational changes by applying different component mixing ratios.

Elasticity dominated surface segregation of small molecules in polymer mixtures

NASA Astrophysics Data System (ADS)

Croce, Salvatore; Krawczyk, Jaroslaw; McLeish, Tom; Chakrabarti, Buddhapriya

When a binary polymer mixture with mobile components is left to equilibrate, the low molecular weight component migrates to the free surface. A balance between loss of translational entropy and gain in surface energy dictates the equilibrium partitioning ratio and the migrant fraction. Despite its ubiquity and several theoretical and experimental investigations, the phenomenon is not fully understood. Further, methods by which migration can be controlled are in its nascent stage of development. We propose a new phenomenological free energy functional that incorporates the elasticity of bulk polymer mixtures (reticulated networks and gels) and show (using mean field and self-consistent field theories) that the migrant fraction decreases with increasing the bulk modulus of the system. Further, a wetting transition observed otherwise for large values of miscibility parameter and polymerization index can be avoided by increasing the elastic modulus of the system. Estimated values of moduli (for the effect to be observable) are akin to those of rubbery polymers. Our work paves the way for controlling surface migration in complex industrial formulations with polymeric ingredients where this effect leads to decreased product stability and performance.

Bovine insulin-phosphatidylcholine mixed Langmuir monolayers: behavior at the air-water interface.

PubMed

Pérez-López, S; Blanco-Vila, N M; Vila-Romeu, N

2011-08-04

The behavior of the binary mixed Langmuir monolayers of bovine insulin (INS) and phosphatidylcholine (PC) spread at the air-water interface was investigated under various subphase conditions. Pure and mixed monolayers were spread on water, on NaOH and phosphate-buffered solutions of pH 7.4, and on Zn(2+)-containing solutions. Miscibility and interactions between the components were studied on the basis of the analysis of the surface pressure (π)-mean molecular area (A) isotherms, surface compression modulus (C(s)(-1))-π curves, and plots of A versus mole fraction of INS (X(INS)). Our results indicate that intermolecular interactions between INS and PC depend on both the monolayer state and the structural characteristics of INS at the interface, which are strongly influenced by the subphase pH and salt content. Brewster angle microscopy (BAM) was applied to investigate the peptide aggregation pattern at the air-water interface in the presence of the studied lipid under any experimental condition investigated. The influence of the lipid on the INS behavior at the interface strongly depends on the subphase conditions.

Mobility control experience in the Joffre Viking miscible CO[sub 2] flood

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luhning, R.W.; Stephenson, D.J.; Graham, A.G.

1993-08-01

This paper discusses mobility control in the Joffre Viking field miscible CO[sub 2] flood. Since 1984, three injection strategies have been tried: water-alternating-CO[sub 2] (WACO[sub 2]), continuous CO[sub 2], and simultaneous CO[sub 2] and water. The studies showed that simultaneous injection results in the best CO[sub 2] conformance. CO[sub 2]-foam injection has also been investigated.

Structure functions in decomposing Au-Pt systems

NASA Astrophysics Data System (ADS)

Glas, R.; Blaschko, O.; Rosta, L.

1992-09-01

The evolution of Au-Pt alloys quenched within the miscibility gap is investigated by small-angle neutron-scattering techniques. Moreover, in the vicinity of fundamental Bragg reflections the evolution of ``sideband'' satellites induced by a lattice-parameter modulation connected with the precipitation pattern is investigated by diffuse scattering methods. Structure functions are evaluated for a series of concentrations within the miscibility gap and compared to recent results of the literature.

Post Waterflood CO2 Miscible Flood in Light Oil, Fluvial-Dominated Deltaic Reservoir (Pre-Work and Project Proposal), Class I

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bou-Mikael, Sami

This project outlines a proposal to improve the recovery of light oil from waterflooded fluvial dominated deltaic (FDD) reservoir through a miscible carbon dioxide (CO2) flood. The site is the Port Neches Field in Orange County, Texas. The field is well explored and well exploited. The project area is 270 acres within the Port Neches Field.

Implications of surfactant-induced flow for miscible-displacement estimation of air-water interfacial areas in unsaturated porous media.

PubMed

Costanza-Robinson, Molly S; Zheng, Zheng; Henry, Eric J; Estabrook, Benjamin D; Littlefield, Malcolm H

2012-10-16

Surfactant miscible-displacement experiments represent a conventional means of estimating air-water interfacial area (A(I)) in unsaturated porous media. However, changes in surface tension during the experiment can potentially induce unsaturated flow, thereby altering interfacial areas and violating several fundamental method assumptions, including that of steady-state flow. In this work, the magnitude of surfactant-induced flow was quantified by monitoring moisture content and perturbations to effluent flow rate during miscible-displacement experiments conducted using a range of surfactant concentrations. For systems initially at 83% moisture saturation (S(W)), decreases of 18-43% S(W) occurred following surfactant introduction, with the magnitude and rate of drainage inversely related to the surface tension of the surfactant solution. Drainage induced by 0.1 mM sodium dodecyl benzene sulfonate, commonly used for A(I) estimation, resulted in effluent flow rate increases of up to 27% above steady-state conditions and is estimated to more than double the interfacial area over the course of the experiment. Depending on the surfactant concentration and the moisture content used to describe the system, A(I) estimates varied more than 3-fold. The magnitude of surfactant-induced flow is considerably larger than previously recognized and casts doubt on the reliability of A(I) estimation by surfactant miscible-displacement.

Understanding How the Presence of Uniform Electric Fields Can Shift the Miscibility of Polystyrene/Poly(vinyl methyl ether) Blends

NASA Astrophysics Data System (ADS)

Kriisa, Annika; Roth, Connie B.

2015-03-01

Techniques which can externally control and manipulate the phase behavior of polymeric systems, without altering chemistry on a molecular level, have great practical benefits. One such possible mechanism is the use of electric fields, shown to cause interfacial instabilities, orientation of morphologies, and phase transitions in polymer blends and block copolymers. We have recently demonstrated that the presence of uniform electric fields can also strongly enhance the miscibility of polystyrene (PS) / poly(vinyl methyl ether) (PVME) blends [J. Chem. Phys. 2014, 141, 134908]. Using fluorescence to measure the phase separation temperature Ts of PS/PVME blends with and without electric fields, we show that Ts can be reproducibly and reversibly increased by 13.5 +/- 1.4 K for electric fields of 17 kV/mm for this lower critical solution temperature (LCST) blend. This increase in blend miscibility with electric fields represents some of the largest absolute shifts in Ts ever recorded, well outside of experimental error. The best theoretical prediction for the expected shift in Ts with electric field for this system is still two orders of magnitude smaller than that observed experimentally. We discuss the limitations of this theoretical prediction and consider possible factors affecting miscibility that may need to be also included.

Solubility and Speciation in the Water-Carbon Dioxide System

NASA Astrophysics Data System (ADS)

Abramson, E.; Bollengier, O.; Brown, J. M.

2016-12-01

The fluid-fluid miscibility surface of the water-carbon dioxide system contains broad regions (in pressure-composition space) exhibiting gradual variations in the temperature of miscibility; this is as expected. However, there is additionally a line of pressure, extending from roughly 2 GPa and 20 mole% CO2 to 6 GPa and 40 mole%, above which the temperature necessary to complete miscibility falls precipitously. This line, which closely approximates a hard limit, is hypothesized to demark a shift in speciation of dissolved CO2. In the same region of pressure the equilibrium limits of a new solid phase, composed of both water and CO2, have been determined. This new phase, the IR and Raman spectra of which led Wang et al.* to ascribe it to carbonic acid, has an observed associated aqueous form which must, in addition to the well-known bicarbonate and carbonate ions, affect the miscibilities of the system. Since zones of rapid subduction are expected to experience the regions of temperatures and pressures at which these equilibria are observed to shift, the chemical nature of these fluids is expected to undergo significant changes during the subduction process. * Wang H., Zeuschner J., Eremets M., Troyan I. and Willams J. (2016) Sci. Rep. 6, 19902-1-8

4-D High-Resolution Seismic Reflection Monitoring of Miscible CO2 Injected into a Carbonate Reservoir

DOE Office of Scientific and Technical Information (OSTI.GOV)

Richard D. Miller; Abdelmoneam E. Raef; Alan P. Byrnes

2005-09-01

The objective of this research project is to acquire, process, and interpret multiple high-resolution 3-D compressional wave and 2-D, 2-C shear wave seismic data to observe changes in fluid characteristics in an oil field before, during, and after the miscible carbon dioxide (CO{sub 2}) flood that began around December 1, 2003, as part of the DOE-sponsored Class Revisit Project (DOE DE-AC26-00BC15124). Unique and key to this imaging activity is the high-resolution nature of the seismic data, minimal deployment design, and the temporal sampling throughout the flood. The 900-m-deep test reservoir is located in central Kansas oomoldic limestones of the Lansing-Kansasmore » City Group, deposited on a shallow marine shelf in Pennsylvanian time. After 18 months of seismic monitoring, one baseline and six monitor surveys clearly imaged changes that appear consistent with movement of CO{sub 2} as modeled with fluid simulators.« less

Spiral pattern in a radial displacement in a Hele-Shaw cell

NASA Astrophysics Data System (ADS)

Ban, Mitsumasa; Nagatsu, Yuichiro; Hayashi, Atsushi; Kato, Yoshihiro; Tada, Yutaka

2008-11-01

When a reactive and miscible less-viscous liquid displaces a more-viscous liquid in a Hele-Shaw cell, reactive miscible viscous fingering takes place. We have experimentally shown that the pattern created by the displacement of a more-viscous fluid by a less-viscous one in a radial Hele-Shaw cell develops not radially but spirally when a more-viscous sodium polyacrylate solution is displaced by a less-viscous trivalent iron ion (Fe^3+) solution with a sufficiently high concentration of Fe^3+. Another experiment in order to investigate the mechanism of spiral pattern formation revealed that an instantaneous chemical reaction takes place between the two fluids and at high Fe^3+ concentrations it produces a film of the gel at the contact plane. The gel is formed by three-dimensional network structures between the polyacrylate solution and the trivalent iron ion (Fe^3+) solution. We have proposed a physical model that the gel's film is responsible for the form of the spiral pattern.

Solutal Marangoni flows of miscible liquids drive transport without surface contamination

NASA Astrophysics Data System (ADS)

Kim, Hyoungsoo; Muller, Koen; Shardt, Orest; Afkhami, Shahriar; Stone, Howard A.

2017-11-01

Mixing and spreading of different liquids are omnipresent in nature, life and technology, such as oil pollution on the sea, estuaries, food processing, cosmetic and beverage industries, lab-on-a-chip devices, and polymer processing. However, the mixing and spreading mechanisms for miscible liquids remain poorly characterized. Here, we show that a fully soluble liquid drop deposited on a liquid surface remains as a static lens without immediately spreading and mixing, and simultaneously a Marangoni-driven convective flow is generated, which are counterintuitive results when two liquids have different surface tensions. To understand the dynamics, we develop a theoretical model to predict the finite spreading time and length scales, the Marangoni-driven convection flow speed, and the finite timescale to establish the quasi-steady state for the Marangoni flow. The fundamental understanding of this solutal Marangoni flow may enable driving bulk flows and constructing an effective drug delivery and surface cleaning approach without causing surface contamination by immiscible chemical species.

Viscous and gravitational contributions to mixing during vertical brine transport in water-saturated porous media

PubMed Central

Flowers, Tracey C.; Hunt, James R.

2010-01-01

The transport of fluids miscible with water arises in groundwater contamination and during remediation of the subsurface environment. For concentrated salt solutions, i.e., brines, the increased density and viscosity determine mixing processes between these fluids and ambient groundwater. Under downward flow conditions, gravitational and viscous forces work against each other to determine the interfacial mixing processes. Historically, mixing has been modeled as a dispersive process, as viscous fingering, and as a combination of both using approaches that were both analytical and numerical. A compilation of previously reported experimental data on vertical miscible displacements by fluids with significant density and viscosity contrasts reveals some agreement with a stability analysis presented by Hill (1952). Additional experimental data on one-dimensional dispersion during downward displacement of concentrated salt solutions by freshwater and freshwater displacement by brines support the stability analysis and provides an empirical representation for dispersion coefficients as functions of a gravity number and a mobility ratio. PMID:20300476

Surface interactions, thermodynamics and topography of binary monolayers of Insulin with dipalmitoylphosphatidylcholine and 1-palmitoyl-2-oleoylphosphatidylcholine at the air/water interface.

PubMed

Grasso, E J; Oliveira, R G; Maggio, B

2016-02-15

The molecular packing, thermodynamics and surface topography of binary Langmuir monolayers of Insulin and DPPC (dipalmitoylphosphatidylcholine) or POCP (1-palmitoyl-2-oleoylphosphatidylcholine) at the air/water interface on Zn(2+) containing solutions were studied. Miscibility and interactions were ascertained by the variation of surface pressure-mean molecular area isotherms, surface compressional modulus and surface (dipole) potential with the film composition. Brewster Angle Microscopy was used to visualize the surface topography of the monolayers. Below 20mN/m Insulin forms stable homogenous films with DPPC and POPC at all mole fractions studied (except for films with XINS=0.05 at 10mN/m where domain coexistence was observed). Above 20mN/m, a segregation process between mixed phases occurred in all monolayers without squeezing out of individual components. Under compression the films exhibit formation of a viscoelastic or kinetically trapped organization leading to considerable composition-dependent hysteresis under expansion that occurs with entropic-enthalpic compensation. The spontaneously unfavorable interactions of Insulin with DPPC are driven by favorable enthalpy that is overcome by unfavorable entropic ordering; in films with POPC both the enthalpic and entropic effects are unfavorable. The surface topography reveals domain coexistence at relatively high pressure showing a striped appearance. The interactions of Insulin with two major membrane phospholipids induces composition-dependent and long-range changes of the surface organization that ought to be considered in the context of the information-transducing capabilities of the hormone for cell functioning. Copyright © 2015 Elsevier Inc. All rights reserved.

Efficient and Stable Ternary Organic Solar Cells Based on Two Planar Nonfullerene Acceptors with Tunable Crystallinity and Phase Miscibility.

PubMed

Wang, Jialin; Peng, Jiajun; Liu, Xiaoyu; Liang, Ziqi

2017-06-21

Planar perylene diimides (PDIs), when used as nonfullerene acceptors for organic photovoltaics, are constrained by their large π-aggregation in solid state. To tackle this issue, another planar nonfullerene acceptor 3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone)-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2',3'-d']-s-indaceno[1,2-b:5,6-b']dithiophene (ITIC) with weak crystallinity and near-infrared light absorption is introduced into the PTB7-Th:PDI binary blend to fabricate efficient and stable ternary solar cells. We have finely tuned the PDI/ITIC weight ratio to investigate the influences of individual ITIC and PDI on the optical, electronic, and morphological properties of the PTB7-Th:ITIC:PDI ternary blend. Compared to the binary blend, complementary optical absorption is achieved in all ternary blends. More importantly, it is found that ITIC plays a critical role on largely suppressing the PDI aggregates in the PTB7-Th:PDI blend, while PDI aids to form an interpenetrating network morphology to facilitate charge transport in the PTB7-Th:ITIC blend. Consequently, when the PDI/ITIC ratio is 3:7 (w/w), the PTB7-Th:ITIC:PDI based inverted solar cells exhibit the highest power conversion efficiency of 8.64% due to their favorable out-of-plane π-π stacking, finest phase-separation morphology, and highest charge mobility. Remarkably, the optimal cells that are solution-processed in air show the promising efficiency of 7.09%, suggesting good ambient stability of such ternary solar cells.

A new method to simulate the effects of viscous fingering on miscible displacement processes in porous media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vossoughi, S.; Green, D.W.; Smith, J.E.

This paper presents a new method to simulate the effects of viscous fingering on miscible displacement processes in porous media. The method is based on the numerical solution of a general form of the convection-dispersion equation. In this equation the convection term is represented by a fractional flow function. The fractional flow function is derived from Darcy's law using a concentration-dependent, average viscosity and relative flow area to each fluid at any point in the bed. The method was extended to the description of a polymer flood by including retention and inaccessible pore volume. A Langmuir-type model for polymer retentionmore » in the rock was used. The resulting convection-dispersion equation for displacement by polymer was then solved numerically by the use of a finite element method with linear basis functions and Crank-Nicholson derivative approximation. History matches were performed on four sets of laboratory data to verify the model. These were: an unfavorable viscosity ratio displacement, stable displacement of glycerol by polymer solution, unstable displacement of brine by a slug of polymer solution, and a favorable viscosity ratio displacement. In general, computed results from the model matched laboratory data closely. Good agreement of the model with experiments over a significant range of variables lends support to the analysis.« less

Annex 2: Reservoir characterization and enhanced oil recovery research

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pope, G.A.; Lake, L.W.; Schecter, R.S.

1989-01-01

The objective of this project is to increase our understanding of EOR processes as they relate to realistic settings for increased efficiencies and decreased risks in known reservoirs in the State of Texas. The primary activities of the Project will include (1) systematic reservoir characterizations, (2) modeling and scaleup of chemical flooding techniques, (3) gaining a broader understanding and providing fundamental information on CO{sub 2}-surfactant phase behavior. This quarter's tasks include: (a) Use of geochemical flow to determine the geometric patterns in porosity and permeability that result from diagenetic processes; and, to define the patterns of permeability in carbonate formationsmore » and the occurrence of calcite cement inclusions caused by both bacterial action and thermochemical processes; (b) Fine-mesh simulations of first-contact miscible displacements have been performed using UTCHEM. The results match the production history of a laboratory-scale core flood. An empirical viscous fingering model has also been implemented and tested. The model can successfully match the recovery curve of a first-contact miscible linear unstable displacement. Better results can be obtained by adjusting the viscosity mixing parameter; and (c) A study of CO{sub 2}-surfactant-water interactions as a means of developing a thermodynamic model to predict conditions of precipitation and the chemical potential of surfactants in aqueous solutions. 16 refs., 5 figs., 2 tabs.« less

Characterization of poly(ethylene oxide) as a drug carrier in hot-melt extrusion.

PubMed

Li, Lei; AbuBaker, Omar; Shao, Zezhi J

2006-09-01

Poly(ethylene oxide) (PEO) as a drug carrier in hot-melt extrusion was studied by using a model drug, nifedipine, in a twin-screw extruder. Binary mixtures of PEO and nifedipine have been shown to be amenable to hot-melting at a temperature as low as 70 degrees C, well below nifedipine's melting point (172 degrees C). Hot-stage microscopy provided visual evidence that nifedipine can form a miscible dispersion with PEO at 120 degrees C. Complete loss of nifedipine crystallinity when extrudated at and above 120 degrees C with a drug loading of 20% (w/w) was further confirmed by differential scanning calorimetry (DSC) and X-ray diffraction. Cross-sectional imaging of the extrudates using scanning electron microscopy indicated homogeneous drug distribution inside PEO when the processing temperature was above 120 degrees C. Raman spectroscopy confirmed drug-PEO interactions at a molecular level. Cryo-milled extrudates showed significant improvement in dissolution rate compared to either pure nifedipine or the physical mixture of PEO and nifedipine. A state of supersaturation was achieved after 10-minute release in pH 6.8 phosphate buffer. Finally, stability study demonstrated that the solid dispersion system is chemically stable for at least 3 months under the conditions of both 25 degrees C/60% RH and 40 degrees C/75% RH. Overall, PEO appears to be a promising aid/carrier to solublize poorly soluble drugs through the formation of solid dispersion via hot-melt extrusion, thereby improving dissolution and absorption.

Thermodynamics and Phase Behavior of Miscible Polymer Blends in the Presence of Supercritical Carbon Dioxide

NASA Astrophysics Data System (ADS)

Young, Nicholas Philip

The design of environmentally-benign polymer processing techniques is an area of growing interest, motivated by the desire to reduce the emission of volatile organic compounds. Recently, supercritical carbon dioxide (scCO 2) has gained traction as a viable candidate to process polymers both as a solvent and diluent. The focus of this work was to elucidate the nature of the interactions between scCO2 and polymers in order to provide rational insight into the molecular interactions which result in the unexpected mixing thermodynamics in one such system. The work also provides insight into the nature of pairwise thermodynamic interactions in multicomponent polymer-polymer-diluent blends, and the effect of these interactions on the phase behavior of the mixture. In order to quantify the strength of interactions in the multicomponent system, the binary mixtures were characterized individually in addition to the ternary blend. Quantitative analysis of was made tractable through the use of a model miscible polymer blend containing styrene-acrylonitrile copolymer (SAN) and poly(methyl methacrylate) (dPMMA), a mixture which has been considered for a variety of practical applications. In the case of both individual polymers, scCO2 is known to behave as a diluent, wherein the extent of polymer swelling depends on both temperature and pressure. The solubility of scCO 2 in each polymer as a function of temperature and pressure was characterized elsewhere. The SAN-dPMMA blend clearly exhibited lower critical solution temperature behavior, forming homogeneous mixtures at low temperatures and phase separating at elevated temperature. These measurements allowed the determination of the Flory-Huggins interaction parameter chi23 for SAN (species 2) and dPMMA (species 3) as a function of temperature at ambient pressure, in the absence of scCO2 (species 1). Characterization of the phase behavior of the multicomponent (ternary) mixture was also carried out by SANS. An in situ SANS environment was developed to allow measurement of blend miscibility in the presence of scCO2. The pressure-temperature phase behavior of the system could be mapped by approaching the point of phase separation by spinodal decomposition through pressure increases at constant temperature. For a roughly symmetric mixture of SAN and dPMMA, the temperature at which phase separation occurred could be decreased by over 125 °C. The extent to which the phase behavior of the multicomponent system could be tuned motivated further investigation into the interactions present within the homogeneous mixtures. Analysis of the SANS results for homogeneous mixtures was undertaken using a new multicomponent formalism of the random phase approximation theory. The scattering profiles obtained from the scCO2-SAN-dPMMA system could be predicted with reasonable success. The success of the theoretical predictions was facilitated by directly employing the interactions found in the binary experiments. Exploitation of the condition of homogeneity with respect to chemical potential allowed determination of interaction parameters for scCO2-SAN and 2-dPMMA within the multicomponent mixture (chi12 and chi13, respectively). Studying this system over a large range of the supercritical regime yielded insight on the nature of interactions in the system. Near the critical point of scCO 2, chi12 and chi13 increase monotonically as a function of pressure. Conversely, at elevated temperature away from the critical point, the interaction parameters are found to go through a minimum as a pressure increases. Analysis of the critical phenomenon associated with scCO2 suggests that the observed dependence of chi12 and chi13 on pressure are related to the magnitude of scCO 2 density fluctuations and the proximity of the system to the so-called density fluctuation ridge. By tuning the system parameters of the multicomponent mixture, the phase behavior can be altered through the balance of pairwise interactions been the constituent species. The presence of scCO2 in the mixtures appears to eliminate the existence of the metastable state that epitomizes most polymer-polymer mixtures. Thus it is shown that knowledge of the individual pairwise interactions in such multicomponent mixtures can greatly influence the resulting phase behavior, and provide insight into the design of improved functional materials with decreased environmental impacts.

Investigation of immiscible systems and potential applications

NASA Technical Reports Server (NTRS)

Markworth, A. J.; Oldfield, W.; Duga, J.; Gelles, S. H.

1975-01-01

The droplet coalescence kinetics at 0 g and 1 g were considered for two systems which contained liquid droplets in a host liquid. One of these (Al-In) typified a system containing a liquid phase miscibility gap and the order (oil-water) a mixture of two essentially insoluble liquids. A number of coalescence mechanisms potentially prominent at low g in this system were analyzed and explanations are presented for the observed unusual stability of the emulsion. Ground base experiments were conducted on the coalescence of In droplets in and Al-In alloy during cooling through the miscibility gap at different cooling rates. These were in qualitative agreement with the computer simulation. Potential applications for systems with liquid phase miscibility gaps were explored. Possibilities included superconductors, electrical contact materials, superplastic materials, catalysts, magnetic materials, and others. The role of space processing in their production was also analyzed.

Numerical simulation of miscible viscous fingering with viscosity change in a displacing fluid by chemical reaction

NASA Astrophysics Data System (ADS)

Omori, Keiichiro; Nagatsu, Yuichiro

2017-11-01

Viscous fingering (VF) with viscosity changes by chemical reactions in case of miscible systems have been investigated both experimentally and theoretically in the recent years. Nagatsu et al. investigated experimentally miscible VF in which viscosity of the displaced fluid or the displacing one is changed by fast chemical reaction They showed that VF was more dense by the viscosity increase whereas less dense by the viscosity increase regardless of whether the viscosity change occurs in the displaced fluid or displacing one. From a theoretical viewpoint, numerical simulation performed on the reactive VF where viscosity of the displaced fluid is changed by instantaneously fast chemical reaction. The results had a good agreement with those in the corresponding experiment. In this work, we have conducted numerical simulation on such reactive VF where viscosity of the displacing fluid is changed. We have found the results have a good agreement with the corresponding experimental ones.

Miscibility phase diagram of ring-polymer blends: A topological effect.

PubMed

Sakaue, Takahiro; Nakajima, Chihiro H

2016-04-01

The miscibility of polymer blends, a classical problem in polymer science, may be altered, if one or both of the component do not have chain ends. Based on the idea of topological volume, we propose a mean-field theory to clarify how the topological constraints in ring polymers affect the phase behavior of the blends. While the large enhancement of the miscibility is expected for ring-linear polymer blends, the opposite trend toward demixing, albeit comparatively weak, is predicted for ring-ring polymer blends. Scaling formulas for the shift of critical point for both cases are derived. We discuss the valid range of the present theory, and the crossover to the linear polymer blends behaviors, which is expected for short chains. These analyses put forward a view that the topological constraints could be represented as an effective excluded-volume effects, in which the topological length plays a role of the screening factor.

Analytical and variational numerical methods for unstable miscible displacement flows in porous media

NASA Astrophysics Data System (ADS)

Scovazzi, Guglielmo; Wheeler, Mary F.; Mikelić, Andro; Lee, Sanghyun

2017-04-01

The miscible displacement of one fluid by another in a porous medium has received considerable attention in subsurface, environmental and petroleum engineering applications. When a fluid of higher mobility displaces another of lower mobility, unstable patterns - referred to as viscous fingering - may arise. Their physical and mathematical study has been the object of numerous investigations over the past century. The objective of this paper is to present a review of these contributions with particular emphasis on variational methods. These algorithms are tailored to real field applications thanks to their advanced features: handling of general complex geometries, robustness in the presence of rough tensor coefficients, low sensitivity to mesh orientation in advection dominated scenarios, and provable convergence with fully unstructured grids. This paper is dedicated to the memory of Dr. Jim Douglas Jr., for his seminal contributions to miscible displacement and variational numerical methods.

Waveform model for an eccentric binary black hole based on the effective-one-body-numerical-relativity formalism

NASA Astrophysics Data System (ADS)

Cao, Zhoujian; Han, Wen-Biao

2017-08-01

Binary black hole systems are among the most important sources for gravitational wave detection. They are also good objects for theoretical research for general relativity. A gravitational waveform template is important to data analysis. An effective-one-body-numerical-relativity (EOBNR) model has played an essential role in the LIGO data analysis. For future space-based gravitational wave detection, many binary systems will admit a somewhat orbit eccentricity. At the same time, the eccentric binary is also an interesting topic for theoretical study in general relativity. In this paper, we construct the first eccentric binary waveform model based on an effective-one-body-numerical-relativity framework. Our basic assumption in the model construction is that the involved eccentricity is small. We have compared our eccentric EOBNR model to the circular one used in the LIGO data analysis. We have also tested our eccentric EOBNR model against another recently proposed eccentric binary waveform model; against numerical relativity simulation results; and against perturbation approximation results for extreme mass ratio binary systems. Compared to numerical relativity simulations with an eccentricity as large as about 0.2, the overlap factor for our eccentric EOBNR model is better than 0.98 for all tested cases, including spinless binary and spinning binary, equal mass binary, and unequal mass binary. Hopefully, our eccentric model can be the starting point to develop a faithful template for future space-based gravitational wave detectors.

Effect of surface ionization on wetting layers

NASA Technical Reports Server (NTRS)

Kayser, R. F.

1986-01-01

A surface ionization model due to Langmuir is generalized to liquid mixtures of polar and nonpolar components in contact with ionizable substrates. When a predominantly nonpolar mixture is near a miscibility gap, thick wetting layers of the conjugate polar phase form on the substrate. Such charged layers can be much thicker than similar wetting layers stabilized by dispersion forces. This model may explain the 0.4- to 0.6-micron-thick wetting layers formed in stirred mixtures of nitromethane and carbon disulfide in contact with glass.

Activation of porous MOF materials

DOEpatents

Hupp, Joseph T; Farha, Omar K

2013-04-23

A method for the treatment of solvent-containing MOF material to increase its internal surface area involves introducing a liquid into the MOF in which liquid the solvent is miscible, subjecting the MOF to supercritical conditions for a time to form supercritical fluid, and releasing the supercritical conditions to remove the supercritical fluid from the MOF. Prior to introducing the liquid into the MOF, occluded reaction solvent, such as DEF or DMF, in the MOF can be exchanged for the miscible solvent.

Activation of porous MOF materials

DOEpatents

Hupp, Joseph T; Farha, Omar K

2014-04-01

A method for the treatment of solvent-containing MOF material to increase its internal surface area involves introducing a liquid into the MOF in which liquid the solvent is miscible, subjecting the MOF to supercritical conditions for a time to form supercritical fluid, and releasing the supercritical conditions to remove the supercritcal fluid from the MOF. Prior to introducing the liquid into the MOF, occluded reaction solvent, such as DEF or DMF, in the MOF can be exchanged for the miscible solvent.

Preparation of polydopamine nanocapsules in a miscible tetrahydrofuran-buffer mixture.

PubMed

Ni, Yun-Zhou; Jiang, Wen-Feng; Tong, Gang-Sheng; Chen, Jian-Xin; Wang, Jie; Li, Hui-Mei; Yu, Chun-Yang; Huang, Xiao-hua; Zhou, Yong-Feng

2015-01-21

A miscible tetrahydrofuran-tris buffer mixture has been used to fabricate polydopamine hollow capsules with a size of 200 nm and with a shell thickness of 40 nm. An unusual non-emulsion soft template mechanism has been disclosed to explain the formation of capsules. The results indicate that the capsule structure is highly dependent on the volume fraction of tetrahydrofuran as well as the solvent, and the shell thickness of capsules can be controlled by adjusting the reaction time and dopamine concentration.

Video of Miscible Fluid Experiment Conducted on NASA Low Gravity Airplane

NASA Technical Reports Server (NTRS)

2003-01-01

This is a video of dyed water being injected into glycerin in a 2.2 centimeter (cm) diameter test tube. The experiment was conducted on the KC-135 aircraft, a NASA plane that creates microgravity and 2g conditions as it maneuvers through multiple parabolas. The water is less dense and so it rises to the top of the glycerin. The goal of the experiment was to determine if a blob of a miscible fluid would spontaneously become spherical in a microgravity environment.

Development and Optimization of Gas-Assisted Gravity Drainage (GAGD) Process for Improved Light Oil Recovery

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dandina N. Rao; Subhash C. Ayirala; Madhav M. Kulkarni

This is the final report describing the evolution of the project ''Development and Optimization of Gas-Assisted Gravity Drainage (GAGD) Process for Improved Light Oil Recovery'' from its conceptual stage in 2002 to the field implementation of the developed technology in 2006. This comprehensive report includes all the experimental research, models developments, analyses of results, salient conclusions and the technology transfer efforts. As planned in the original proposal, the project has been conducted in three separate and concurrent tasks: Task 1 involved a physical model study of the new GAGD process, Task 2 was aimed at further developing the vanishing interfacialmore » tension (VIT) technique for gas-oil miscibility determination, and Task 3 was directed at determining multiphase gas-oil drainage and displacement characteristics in reservoir rocks at realistic pressures and temperatures. The project started with the task of recruiting well-qualified graduate research assistants. After collecting and reviewing the literature on different aspects of the project such gas injection EOR, gravity drainage, miscibility characterization, and gas-oil displacement characteristics in porous media, research plans were developed for the experimental work to be conducted under each of the three tasks. Based on the literature review and dimensional analysis, preliminary criteria were developed for the design of the partially-scaled physical model. Additionally, the need for a separate transparent model for visual observation and verification of the displacement and drainage behavior under gas-assisted gravity drainage was identified. Various materials and methods (ceramic porous material, Stucco, Portland cement, sintered glass beads) were attempted in order to fabricate a satisfactory visual model. In addition to proving the effectiveness of the GAGD process (through measured oil recoveries in the range of 65 to 87% IOIP), the visual models demonstrated three possible multiphase mechanisms at work, namely, Darcy-type displacement until gas breakthrough, gravity drainage after breakthrough and film-drainage in gas-invaded zones throughout the duration of the process. The partially-scaled physical model was used in a series of experiments to study the effects of wettability, gas-oil miscibility, secondary versus tertiary mode gas injection, and the presence of fractures on GAGD oil recovery. In addition to yielding recoveries of up to 80% IOIP, even in the immiscible gas injection mode, the partially-scaled physical model confirmed the positive influence of fractures and oil-wet characteristics in enhancing oil recoveries over those measured in the homogeneous (unfractured) water-wet models. An interesting observation was that a single logarithmic relationship between the oil recovery and the gravity number was obeyed by the physical model, the high-pressure corefloods and the field data.« less

Free volume study on the miscibility of PEEK/PEI blend using positron annihilation and dynamic mechanical thermal analysis

NASA Astrophysics Data System (ADS)

Ramani, R.; Alam, S.

2015-06-01

High performance polymer blend of poly(ether ether ketone) (PEEK) and poly(ether imide) (PEI) was examined for their free volume behaviour using positron annihilation lifetime spectroscopy and dynamic mechanical thermal analysis methods. The fractional free volume obtained from PALS shows a negative deviation from linear additivity rule implying good miscibility between PEEK and PEI. The dynamic modulus and loss tangent were obtained for the blends at three different frequencies 1, 10 and 100 Hz at temperatures close to and above their glass transition temperature. Applying Time-Temperature-Superposition (TTS) principle to the DMTA results, master curves were obtained at a reference temperature To and the WLF coefficients c01 and c02 were evaluated. Both the methods give similar results for the dependence of fractional free volume on PEI content in this blend. The results reveal that free volume plays an important role in determining the visco-elastic properties in miscible polymer blends.

The influence of guaifenesin and ketoprofen on the properties of hot-melt extruded polyethylene oxide films.

PubMed

Crowley, Michael M; Fredersdorf, Anke; Schroeder, Britta; Kucera, Shawn; Prodduturi, Suneela; Repka, Michael A; McGinity, James W

2004-08-01

Films containing polyethylene oxide (PEO) and a model drug, either guaifenesin (GFN) or ketoprofen (KTP), were prepared by hot-melt extrusion. The thermal properties of the hot-melt extruded films were investigated using differential scanning calorimetry (DSC). Scanning electron microscopy (SEM) was used to examine the surface morphology of the films, and wide angle X-ray diffraction (XRD) was used to investigate the crystalline properties of the polymer, drugs and physical mixtures as well as the solid state structure of the films. The stability of the polymer was studied using gel permeation chromatography. The mechanical properties, including percent elongation and tensile strength of the films, were determined on an Instron according to American Society for Testing Materials (ASTM) procedures. The Hansen solubility parameter was calculated using the Hoftyzer or van Krevelen method to estimate the likelihood of drug--polymer miscibility. Both GFN and KTP were stable during the extrusion process. Melting points corresponding to the crystalline drugs were not observed in the films. Crystallization of GFN on the surface of the film was observed at all concentrations studied, however KTP crystallization did not occur until reaching the 15% level. Guaifenesin and ketoprofen were found to decrease drive load, increase PEO stability and plasticize the polymer during extrusion. The Hansen solubility parameters predicted miscibility between PEO and KTP and poor miscibility between PEO and GFN. The predictions of the solubility parameters were in agreement with the XRD and SEM results. The percent elongation decreased with increasing GFN concentrations and significantly increased with increasing levels of KTP. Both GFN and KTP decreased the tensile strength of the extruded film.

Structural, Electronic, and Optical Properties of BiOX1-xYx (X, Y = F, Cl, Br, and I) Solid Solutions from DFT Calculations.

PubMed

Zhao, Zong-Yan; Liu, Qing-Lu; Dai, Wen-Wu

2016-08-23

Six BiOX1-xYx (X, Y = F, Cl, Br, and I) solid solutions have been systematically investigated by density functional theory calculations. BiOCl1-xBrx, BiOBr1-xIx, and BiOCl1-xIx solid solutions have very small bowing parameters; as such, some of their properties increase almost linearly with increasing x. For BiOF1-xYx solid solutions, the bowing parameters are very large and it is extremely difficult to fit the related calculated data by a single equation. Consequently, BiOX1-xYx (X, Y = Cl, Br, and I) solid solutions are highly miscible, while BiOF1-xYx (Y = Cl, Br, and I) solid solutions are partially miscible. In other words, BiOF1-xYx solid solutions have miscibility gaps or high miscibility temperature, resulting in phase separation and F/Y inhomogeneity. Comparison and analysis of the calculated results and the related physical-chemical properties with different halogen compositions indicates that the parameters of BiOX1-xYx solid solutions are determined by the differences of the physical-chemical properties of the two halogen compositions. In this way, the large deviation of some BiOX1-xYx solid solutions from Vegard's law observed in experiments can be explained. Moreover, the composition ratio of BiOX1-xYx solid solutions can be measured or monitored using optical measurements.

Comparison between hot-melt extrusion and spray-drying for manufacturing solid dispersions of the graft copolymer of ethylene glycol and vinylalcohol.

PubMed

Guns, Sandra; Dereymaker, Aswin; Kayaert, Pieterjan; Mathot, Vincent; Martens, Johan A; Van den Mooter, Guy

2011-03-01

To investigate the effect of the manufacturing method (spray-drying or hot-melt extrusion) on the kinetic miscibility of miconazole and the graft copolymer poly(ethyleneglycol-g-vinylalcohol). The effect of heat pre-treatment of solutions used for spray-drying and the use of spray-dried copolymer as excipient for hot-melt extrusion was investigated. The solid dispersions were prepared at different drug-polymer ratios and analyzed with modulated differential scanning calorimetry and X-ray powder diffraction. Miconazole either mixed with the PEG-fraction of the copolymer or crystallized in the same or a different polymorph as the starting material. The kinetic miscibility was higher for the solid dispersions obtained from solutions which were pre-heated compared to those spray-dried from solutions at ambient temperature. Hot-melt extrusion resulted in an even higher mixing capability. Here the use of the spray-dried copolymer did not show any benefit concerning the kinetic miscibility of the drug and copolymer, but it resulted in a remarkable decrease in the torque experienced by the extruder allowing extrusion at lower temperature and torque. The manufacturing method has an influence on the mixing capacity and phase behavior of solid dispersions. Heat pre-treatment of the solutions before spray-drying can result in a higher kinetic miscibility. Amorphization of the copolymer by spray-drying before using it as an excipient for hot-melt extrusion can be a manufacturing benefit.

Phase Behavior of Binary Blends of High Molecular Weight Diblock Copolymers with a Low Molecular Weight Triblock

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mickiewicz, Rafal A.; Ntoukas, Eleftherios; Avgeropoulos, Apostolos

2009-08-26

Binary blends of four different high molecular weight poly(styrene-b-isoprene) (SI) diblock copolymers with a lower molecular weight poly(styrene-b-isoprene-b-styrene) (SIS) triblock copolymer were prepared, and their morphology was characterized by transmission electron microscopy and ultra-small-angle X-ray scattering. All the neat block copolymers have nearly symmetric composition and exhibit the lamellar morphology. The SI diblock copolymers had number-average molecular weights, Mn, in the range 4.4 x 10{sup 5}--1.3 x 10{sup 6} g/mol and volume fractions of poly(styrene), {Phi}{sub PS}, in the range 0.43--0.49, and the SIS triblock had a molecular weight of Mn 6.2 x 10{sup 4} g/mol with {Phi}{sub PS} =more » 0.41. The high molecular weight diblock copolymers are very strongly segregating, with interaction parameter values, {chi}N, in the range 470--1410. A morphological phase diagram in the parameter space of molecular weight ratio (R = M{sub n}{sup diblock}/1/2M{sub n}{sup triblock}) and blend composition was constructed, with R values in the range between 14 and 43, which are higher than previously reported. The phase diagram revealed a large miscibility gap for the blends, with macrophase separation into two distinct types of microphase-separated domains for weight fractions of SI, w{sub SI} < 0.9, implying virtually no solubility of the much higher molecular weight diblocks in the lower molecular weight triblock. For certain blend compositions, above R 30, morphological transitions from the lamellar to cylindrical and bicontinuous structures were also observed.« less

Marginal and Random Intercepts Models for Longitudinal Binary Data with Examples from Criminology

ERIC Educational Resources Information Center

Long, Jeffrey D.; Loeber, Rolf; Farrington, David P.

2009-01-01

Two models for the analysis of longitudinal binary data are discussed: the marginal model and the random intercepts model. In contrast to the linear mixed model (LMM), the two models for binary data are not subsumed under a single hierarchical model. The marginal model provides group-level information whereas the random intercepts model provides…

High-pressure high-temperature stability of hcp-Ir xOs 1-x (x = 0.50 and 0.55) alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yusenko, Kirill V.; Bykova, Elena; Bykov, Maxim

2016-12-23

Hcp-Ir 0.55Os 0.45 and hcp-Ir 0.50Os 0.50 alloys were synthesised by thermal decomposition of single-source precursors in hydrogen atmosphere. Both alloys correspond to a miscibility gap in the Ir–Os binary phase diagram and therefore are metastable at ambient conditions. An in situ powder X-ray diffraction has been used for a monitoring a formation of hcp-Ir0.55Os0.45 alloy from (NH 4) 2[Ir 0.55Os 0.45Cl 6] precursor. A crystalline intermediate compound and nanodimentional metallic particles with a large concentration of defects has been found as key intermediates in the thermal decomposition process in hydrogen flow. High-temperature stability of titled hcp-structured alloys has beenmore » investigated upon compression up to 11 GPa using a multi-anvil press and up to 80 GPa using laser-heated diamond-anvil cells to obtain a phase separation into fcc + hcp mixture. Compressibility curves at room temperature as well as thermal expansion at ambient pressure and under compression up to 80 GPa were collected to obtain thermal expansion coefficients and bulk moduli. hcp-Ir 0.55Os 0.45 alloy shows bulk moduli B0 = 395 GPa. Thermal expansion coefficients were estimated as α = 1.6·10 -5 K -1 at ambient pressure and α = 0.3·10 -5 K -1 at 80 GPa. Obtained high-pressure high-temperature data allowed us to construct the first model for pressure-dependent Ir–Os phase diagram.« less

Recycle of mixed automotive plastics: A model study

NASA Astrophysics Data System (ADS)

Woramongconchai, Somsak

This research investigated blends of virgin automotive plastics which were identified through market analysis. The intent was that this study could be used as a basis for further research in blends of automotive plastics recyclate. The effects of temperature, shear, time, and degree of mixing in a two-roll mill, a single-screw extruder, and a twin-screw extruder were investigated. Properties were evaluated in terms of melt flow, rigidity, strength, impact, heat resistance, electrical resistivity, color, and resistance to water and gasoline. Torque rheometry, dynamic mechanical analysis (DMA), optical and scanning electron microscopy were used to characterize the processability and morphology of major components of the blends. The two-roll mill was operated at high temperature, short time, and low roll speed to avoid discolored and degraded materials. The single-screw extruder and twin-screw extruder were operated at medium and high temperature and high screw speed, respectively, for optimizing head pressure, residence time, shear and degree of mixing of the materials. Melt index increased with extrusion temperature. Flexural modulus increased with the processing temperatures in milling or twin-screw extrusion, but decreased with the increasing single-screw extrusion temperature. Tensile modulus was also enhanced by increasing processing temperature. The tensile strengths for each process were similar and relatively low. The impact strength increased with temperature and roll speed in two-roll milling, was unaffected by the single-screw extrusion temperature and decreased with increasing twin-screw extrusion temperature. Heat resistance was always reduced by higher processing temperature. The volume resistivity increased, water absorption was unaffected and gasoline absorption altered by increased processing temperature. The latter increased somewhat with mill temperature, roll speed (two-roll mill) and higher extrusion temperature (single-screw extruder), but decreased with increased twin-screw extrusion temperature. The flexural modulus of the recycled mixed automotive plastics expected in 2003 was higher than the 1980s and 1990 recycle. Flexural strength effects were not large enough for serious consideration, but were more dominant when compared to those in the 1980s and 1990s. Impact strengths at 20-30 J/m were the lowest value compared to the 1980s and 1990s mixed automotive recycle. Torque rheometry, dynamic mechanical analysis and optical and electron microscopy agreed with each other on the characterization of the processability and morphology of the blends. LLDPE and HDPE were miscible while PP was partially miscible with polyethylene. ABS and nylon-6 were immiscible with the polyolefins, but partially miscible with each other. As expected, the polyurethane foam was immiscible with the other components. The minor components of the model recycle of mixed automotive materials were probably partially miscible with ABS/nylon-6, but there were multiple and unresolved phases in the major blends.

Entanglement in miscible blends

NASA Astrophysics Data System (ADS)

Watanabe, Hiroshi

2010-03-01

The entanglement length Le of polymer chains (corresponding to the entanglement molecular weight Me) is not an intrinsic material parameter but changes with the interaction with surrounding chains. For miscible blends of cis-polyisoprene (PI) and poly(tert-butyl styrene) (PtBS), changes of Le on blending was examined. It turned out that the Le averaged over the number fractions of the Kuhn segments of the components (PI and PtBS) satisfactorily describes the viscoelastic behavior of pseudo-monodisperse blends in which the terminal relaxation time is the same for PI and PtBS.

Evidence of a miscibility gap in the FeTe1-xSex polycrystalline samples prepared with a melting process

NASA Astrophysics Data System (ADS)

Sala, A.; Palenzona, A.; Bernini, C.; Caglieris, F.; Cimberle, M. R.; Ferdeghini, C.; Lamura, G.; Martinelli, A.; Pani, M.; Hecher, J.; Eisterer, M.; Putti, M.

2014-05-01

The study of overdoped FeTe1-xSex (0.5 < x < 1) polycrystalline superconductor samples is reported. The samples were prepared using a melting technique previously developed by our group. Increasing the Se content a phase separation related to the formation of FeSe inside the Fe(Se,Te) phase happens, as demonstrated by structural analysis and magnetic characterization. The proposed phase separation picture is likely the fingerprint of a miscibility gap in the Fe(Se,Te) system.

A Maximum Likelihood Approach to Functional Mapping of Longitudinal Binary Traits

PubMed Central

Wang, Chenguang; Li, Hongying; Wang, Zhong; Wang, Yaqun; Wang, Ningtao; Wang, Zuoheng; Wu, Rongling

2013-01-01

Despite their importance in biology and biomedicine, genetic mapping of binary traits that change over time has not been well explored. In this article, we develop a statistical model for mapping quantitative trait loci (QTLs) that govern longitudinal responses of binary traits. The model is constructed within the maximum likelihood framework by which the association between binary responses is modeled in terms of conditional log odds-ratios. With this parameterization, the maximum likelihood estimates (MLEs) of marginal mean parameters are robust to the misspecification of time dependence. We implement an iterative procedures to obtain the MLEs of QTL genotype-specific parameters that define longitudinal binary responses. The usefulness of the model was validated by analyzing a real example in rice. Simulation studies were performed to investigate the statistical properties of the model, showing that the model has power to identify and map specific QTLs responsible for the temporal pattern of binary traits. PMID:23183762

Binary Population and Spectral Synthesis Version 2.1: Construction, Observational Verification, and New Results

NASA Astrophysics Data System (ADS)

Eldridge, J. J.; Stanway, E. R.; Xiao, L.; McClelland, L. A. S.; Taylor, G.; Ng, M.; Greis, S. M. L.; Bray, J. C.

2017-11-01

The Binary Population and Spectral Synthesis suite of binary stellar evolution models and synthetic stellar populations provides a framework for the physically motivated analysis of both the integrated light from distant stellar populations and the detailed properties of those nearby. We present a new version 2.1 data release of these models, detailing the methodology by which Binary Population and Spectral Synthesis incorporates binary mass transfer and its effect on stellar evolution pathways, as well as the construction of simple stellar populations. We demonstrate key tests of the latest Binary Population and Spectral Synthesis model suite demonstrating its ability to reproduce the colours and derived properties of resolved stellar populations, including well-constrained eclipsing binaries. We consider observational constraints on the ratio of massive star types and the distribution of stellar remnant masses. We describe the identification of supernova progenitors in our models, and demonstrate a good agreement to the properties of observed progenitors. We also test our models against photometric and spectroscopic observations of unresolved stellar populations, both in the local and distant Universe, finding that binary models provide a self-consistent explanation for observed galaxy properties across a broad redshift range. Finally, we carefully describe the limitations of our models, and areas where we expect to see significant improvement in future versions.

Control for Population Structure and Relatedness for Binary Traits in Genetic Association Studies via Logistic Mixed Models

PubMed Central

Chen, Han; Wang, Chaolong; Conomos, Matthew P.; Stilp, Adrienne M.; Li, Zilin; Sofer, Tamar; Szpiro, Adam A.; Chen, Wei; Brehm, John M.; Celedón, Juan C.; Redline, Susan; Papanicolaou, George J.; Thornton, Timothy A.; Laurie, Cathy C.; Rice, Kenneth; Lin, Xihong

2016-01-01

Linear mixed models (LMMs) are widely used in genome-wide association studies (GWASs) to account for population structure and relatedness, for both continuous and binary traits. Motivated by the failure of LMMs to control type I errors in a GWAS of asthma, a binary trait, we show that LMMs are generally inappropriate for analyzing binary traits when population stratification leads to violation of the LMM’s constant-residual variance assumption. To overcome this problem, we develop a computationally efficient logistic mixed model approach for genome-wide analysis of binary traits, the generalized linear mixed model association test (GMMAT). This approach fits a logistic mixed model once per GWAS and performs score tests under the null hypothesis of no association between a binary trait and individual genetic variants. We show in simulation studies and real data analysis that GMMAT effectively controls for population structure and relatedness when analyzing binary traits in a wide variety of study designs. PMID:27018471

DISTINGUISHING COMPACT BINARY POPULATION SYNTHESIS MODELS USING GRAVITATIONAL WAVE OBSERVATIONS OF COALESCING BINARY BLACK HOLES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stevenson, Simon; Ohme, Frank; Fairhurst, Stephen, E-mail: simon.stevenson@ligo.org

2015-09-01

The coalescence of compact binaries containing neutron stars or black holes is one of the most promising signals for advanced ground-based laser interferometer gravitational-wave (GW) detectors, with the first direct detections expected over the next few years. The rate of binary coalescences and the distribution of component masses is highly uncertain, and population synthesis models predict a wide range of plausible values. Poorly constrained parameters in population synthesis models correspond to poorly understood astrophysics at various stages in the evolution of massive binary stars, the progenitors of binary neutron star and binary black hole systems. These include effects such asmore » supernova kick velocities, parameters governing the energetics of common envelope evolution and the strength of stellar winds. Observing multiple binary black hole systems through GWs will allow us to infer details of the astrophysical mechanisms that lead to their formation. Here we simulate GW observations from a series of population synthesis models including the effects of known selection biases, measurement errors and cosmology. We compare the predictions arising from different models and show that we will be able to distinguish between them with observations (or the lack of them) from the early runs of the advanced LIGO and Virgo detectors. This will allow us to narrow down the large parameter space for binary evolution models.« less

Beyond the Binary: Dexterous Teaching and Knowing in Mathematics Education

ERIC Educational Resources Information Center

Adam, Raoul; Chigeza, Philemon

2015-01-01

This paper identifies binary oppositions in the discourse of mathematics education and introduces a binary-epistemic model for (re)conceptualising these oppositions and the epistemic-pedagogic problems they represent. The model is attentive to the contextual relationships between pedagogically relevant binaries (e.g., traditional/progressive,…

On the frequency of close binary systems among very low-mass stars and brown dwarfs

NASA Astrophysics Data System (ADS)

Maxted, P. F. L.; Jeffries, R. D.

2005-09-01

We have used Monte Carlo simulation techniques and published radial velocity surveys to constrain the frequency of very low-mass star (VLMS) and brown dwarf (BD) binary systems and their separation (a) distribution. Gaussian models for the separation distribution with a peak at a= 4au and 0.6 <=σlog(a/au)<= 1.0, correctly predict the number of observed binaries, yielding a close (a < 2.6au) binary frequency of 17-30 per cent and an overall VLMS/BD binary frequency of 32-45 per cent. We find that the available N-body models of VLMS/BD formation from dynamically decaying protostellar multiple systems are excluded at >99 per cent confidence because they predict too few close binary VLMS/BDs. The large number of close binaries and high overall binary frequency are also very inconsistent with recent smoothed particle hydrodynamical modelling and argue against a dynamical origin for VLMS/BDs.

The effects of forced small-wavelength, finite-bandwidth initial perturbations and miscibility on the turbulent Rayleigh–Taylor instability

DOE PAGES

Roberts, M. S.; Jacobs, J. W.

2015-12-07

Rayleigh–Taylor instability experiments are performed using both immiscible and miscible incompressible liquid combinations having a relatively large Atwood number ofmore » $$A\\equiv ({\\it\\rho}_{2}-{\\it\\rho}_{1})/({\\it\\rho}_{2}+{\\it\\rho}_{1})=0.48$$. The liquid-filled tank is attached to a test sled that is accelerated downwards along a vertical rail system using a system of weights and pulleys producing approximately$1g$$net acceleration. The tank is backlit and images are digitally recorded using a high-speed video camera. The experiments are either initiated with forced initial perturbations or are left unforced. The forced experiments have an initial perturbation imposed by vertically oscillating the liquid-filled tank to produce Faraday waves at the interface. The unforced experiments rely on random interfacial fluctuations, resulting from background noise, to seed the instability. The main focus of this study is to determine the effects of forced initial perturbations and the effects of miscibility on the growth parameter,$${\\it\\alpha}$$. Measurements of the mixing-layer width,$$h$$, are acquired, from which$${\\it\\alpha}$$is determined. It is found that initial perturbations of the form used in this study do not affect measured$${\\it\\alpha}$$values. However, miscibility is observed to strongly affect$${\\it\\alpha}$$, resulting in a factor of two reduction in its value, a finding not previously observed in past experiments. In addition, all measured$${\\it\\alpha}$values are found to be smaller than those obtained in previous experimental studies.« less

A unifying framework for marginalized random intercept models of correlated binary outcomes

PubMed Central

Swihart, Bruce J.; Caffo, Brian S.; Crainiceanu, Ciprian M.

2013-01-01

We demonstrate that many current approaches for marginal modeling of correlated binary outcomes produce likelihoods that are equivalent to the copula-based models herein. These general copula models of underlying latent threshold random variables yield likelihood-based models for marginal fixed effects estimation and interpretation in the analysis of correlated binary data with exchangeable correlation structures. Moreover, we propose a nomenclature and set of model relationships that substantially elucidates the complex area of marginalized random intercept models for binary data. A diverse collection of didactic mathematical and numerical examples are given to illustrate concepts. PMID:25342871

Multilevel Models for Binary Data

ERIC Educational Resources Information Center

Powers, Daniel A.

2012-01-01

The methods and models for categorical data analysis cover considerable ground, ranging from regression-type models for binary and binomial data, count data, to ordered and unordered polytomous variables, as well as regression models that mix qualitative and continuous data. This article focuses on methods for binary or binomial data, which are…

Assessing the Strength Enhancement of Heterogeneous Networks of Miscible Polymer Blends

NASA Astrophysics Data System (ADS)

Giller, Carl; Roland, Mike

2013-03-01

At the typical crosslink densities of elastomers, the failure properties vary inversely with mechanical stiffness, so that compounding entails a compromise between stiffness and strength. Our approach to circumvent this conventional limitation is by forming networks of two polymers that: (i) are thermodynamically miscible, whereby the chemical composition is uniform on the segmental level; and (ii) have markedly different reactivities for network formation. The resulting elastomer consists of one highly crosslinked component and one that is lightly or uncrosslinked. This disparity in crosslinking causes their respective contributions to the network mechanical response to differ diametrically. Earlier results showed some success with this approach for thermally crosslinked blends of 1,2-polybutadiene (PVE) and polyisoprene (PI), as well as ethylene-propylene copolymer (EPM) and ethylene-propylene-diene random terpolymer (EPDM), taking advantage of their differing reactivities to sulfur. In this work we demonstrate the miscibility of polyisobutylene (PIB) with butyl rubber (BR) (a copolymer of PIB and polyisoprene) and show that networks in which only the BR is crosslinked possess greater tensile strengths than neat BR over the same range of moduli. Office of Naval Research

Viscometric investigation of compatibilization of the poly(vinyl chloride)/poly(ethylene-co-vinyl acetate) blends by terpolymer of maleic anhydride styrene vinyl acetate

NASA Astrophysics Data System (ADS)

İmren, Dilek; Boztuğ, Ali; Yılmaz, Ersen; Zengin, H. Bayram

2008-11-01

In this study, a blend of poly(vinyl chloride) (PVC)/ethylene-co-vinyl acetate (EVA) was compatibilized by terpolymer of maleic anhydride-styrene-vinyl acetate (MAStVA) used as a compatibilizer. It was prepared the blends of 50/50 PVC/EVA containing 2-10% of the terpolymer. The compatibility experiences of these blends were investigated by using viscometric method in the range of concentrations (0.5-2.0 g dL -1) where tetrahydrofuran (THF) is the solvent. The interaction parameter (Δ b) was used to study the miscibility and compatibility of polymer blend in solution, obtained from the modified Krigbaum and Wall theory. Turbidity and FTIR measurements were also used to investigate the miscibility of this pair of polymers. The values of the relative viscosities of the each polymer solution and their blends were measured by a Cannon-Fenske type viscometer. In consequence of the study, it was observed that a considerable improvement was achieved in the miscibility of PVC/EVA blends by adding among 5 and 10 wt% of compatibilizer.

Characterization of Physical and Mechanical Properties of Miscible Lactose-Sugars Systems.

PubMed

Li, Runjing; Roos, Yrjö H; Miao, Song

2017-09-01

Lactose-sugars systems were produced by spray drying. They were lactose, lactose-glucose (4:1) mixtures, lactose-maltose (4:1) mixtures, lactose-sucrose (4:1) mixtures, lactose-trehalose (4:1) mixtures, and lactose-corn syrup solids (CSS) (4:1) mixtures. The physical characteristics, water sorption behavior, glass transition, and mechanical properties of miscible lactose-sugars systems were investigated. Lactose-glucose mixtures had larger particle size than other lactose-sugars systems after spray drying. The presence of glucose or sucrose in lactose-sugars mixtures decreased the glass transition temperatures of amorphous systems, while the presence of maltose and trehalose had only minor impact on the glass transition temperatures. Moreover, glucose accelerated the crystallization of amorphous system at 0.44 a w , but its presence delayed the loss of sorbed water at higher water activities (≥0.54 a w ). Mechanical property study indicated that glucose and sucrose in amorphous system could result in an increase of molecular mobility, while the presence of CSS could decrease the free volume and maintain the stiffness of the miscible systems. © 2017 Institute of Food Technologists®.

Matching asteroid population characteristics with a model constructed from the YORP-induced rotational fission hypothesis

NASA Astrophysics Data System (ADS)

Jacobson, Seth A.; Marzari, Francesco; Rossi, Alessandro; Scheeres, Daniel J.

2016-10-01

From the results of a comprehensive asteroid population evolution model, we conclude that the YORP-induced rotational fission hypothesis is consistent with the observed population statistics of small asteroids in the main belt including binaries and contact binaries. These conclusions rest on the asteroid rotation model of Marzari et al. ([2011]Icarus, 214, 622-631), which incorporates both the YORP effect and collisional evolution. This work adds to that model the rotational fission hypothesis, described in detail within, and the binary evolution model of Jacobson et al. ([2011a] Icarus, 214, 161-178) and Jacobson et al. ([2011b] The Astrophysical Journal Letters, 736, L19). Our complete asteroid population evolution model is highly constrained by these and other previous works, and therefore it has only two significant free parameters: the ratio of low to high mass ratio binaries formed after rotational fission events and the mean strength of the binary YORP (BYORP) effect. We successfully reproduce characteristic statistics of the small asteroid population: the binary fraction, the fast binary fraction, steady-state mass ratio fraction and the contact binary fraction. We find that in order for the model to best match observations, rotational fission produces high mass ratio (> 0.2) binary components with four to eight times the frequency as low mass ratio (<0.2) components, where the mass ratio is the mass of the secondary component divided by the mass of the primary component. This is consistent with post-rotational fission binary system mass ratio being drawn from either a flat or a positive and shallow distribution, since the high mass ratio bin is four times the size of the low mass ratio bin; this is in contrast to the observed steady-state binary mass ratio, which has a negative and steep distribution. This can be understood in the context of the BYORP-tidal equilibrium hypothesis, which predicts that low mass ratio binaries survive for a significantly longer period of time than high mass ratio systems. We also find that the mean of the log-normal BYORP coefficient distribution μB ≳10-2 , which is consistent with estimates from shape modeling (McMahon and Scheeres, 2012a).

Liquid Chromatography Applications to Determination of Sorption on Aquifer Materials

DTIC Science & Technology

1989-11-01

and D. R. Nielsen. Modeling tritium and chloride 36 transport through an aggregated oxisol . Water Resources Res. 19 691-700 (1983). P. Nkedi-Kizza, J. W...describing ion exchange during transport through an aggregated oxisol . Water Resources Res. 20 1123-1130 (1984). P. Nkedi-Kizza, P. S. C. Rao, R. E. Jessup...and J. M. Davidson. Ion exchange and diffusive mass transfer during miscible displacement through an aggregated oxisol . Soil Sci. Soc. Am. J. 46 471

Statistical Moments in Variable Density Incompressible Mixing Flows

DTIC Science & Technology

2015-08-28

front tracking method: Verification and application to simulation of the primary breakup of a liquid jet . SIAM J. Sci. Comput., 33:1505–1524, 2011. [15... elliptic problem. In case of failure, Generalized Minimal Residual (GMRES) method [78] is used instead. Then update face velocities as follows: u n+1...of the ACM Solid and Physical Modeling Symposium, pages 159–170, 2008. [51] D. D. Joseph. Fluid dynamics of two miscible liquids with diffusion and

Enhanced sampling simulation analysis of the structure of lignin in the THF–water miscibility gap

DOE PAGES

Smith, Micholas Dean; Petridis, Loukas; Cheng, Xiaolin; ...

2016-01-26

Using temperature replica-exchange molecular dynamics, we characterize a globule-to-coil transition for a softwood-like lignin biopolymer in a tetrahydrofuran (THF)-water cosolvent system at temperatures at which the cosolvent undergoes a de-mixing transition. The lignin is found to be in a coil state, similar to that in the high-temperature miscible region. Analysis of the transition kinetics indicates that THF acts in a surfactant-like fashion. In conclusion, the present study thus suggests that THF-water based pretreatments may efficiently remove lignin from biomass even at relatively low (non-water boiling) temperatures.

Synthesis and phase behavior of end-functionalized associating polymers

NASA Astrophysics Data System (ADS)

Wrue, Michelle H.

We have explored polymer blend phase behavior in the presence of multiple hydrogen bonding end-groups. This work details the synthesis of functionalized polymers and their subsequent use in miscibility studies. The synthesis of end-functionalized hydrogen bonding polymers and the investigation of their physical properties and miscibility is presented. Mono-functional and telechelic ureidopyrimidinone (UPy) functionalized polymers were prepared by two main routes: post-polymerization functionalization (of commercially available or synthesized polymers); and polymerization of monomers using a functionalized initiator. UPy-functionalized polymers were prepared with a variety of polymer backbones including poly(ethylene oxide)s; poly(butadiene)s, poly(dimethyl siloxanxe)s; poly(styrene)s and poly(methyl methacrylate)s. The most successful route to polymers with UPy end-groups was atom transfer radical polymerization (ATRP) using a UPy-functionalized initiator, followed by atom transfer radical coupling (ATRC). The incorporation of ureidopyrimidinone end-groups was shown to affect the physical properties of the polymer backbone. Parent polymers that were liquids became viscous liquids or waxy solids upon UPy-functionalization of chain end. UPy-functionalization of a hydroxyl-terminated polybutadiene (HO-PB-OH) resulted in a waxy solid while the HO-PB-OH precursor was a viscous liquid. The thermal properties of functionalized polymers also differed from those of the unfunctionalized parent polymers. Hot-stage optical microscopy revealed that UPy-functionalized PEO displayed a depressed melting point relative to the analogous unfunctionalized precursor. Differential scanning calorimetry was also used to investigate the synthesized UPy-polymers. UPy-functionalized polystyrenes and poly(methyl methacrylate)s showed an increased T g compared to the equivalent homopolymer standards. This increased Tg was determined to be dependent upon the fraction of UPy groups present and chemical cleavage of the end-groups resulted in Tgs near those observed for polymer standards of comparable molecular weight. Aggregation of UPy end-groups in solution was observed using gel permeation chromatography. Aggregation was only observed for telechelic samples of low molecular weight, indicating that the aggregation of end-groups is dependent upon the concentration of the end-groups. The effect of UPy end-groups on blend miscibility was studied in solution using laser light scattering and in the melt state was using laser light scattering, optical microscopy and differential scanning calorimetry. The incorporation of associating groups onto one end of either blend component decreases miscibility relative to unfunctionalized parent blends. Lower miscibility was also observed for blends in which both components were mono-functionalized with associating end-groups. The largest decrease in miscibility was observed for blends containing telechelic UPy-functionalized polymers, which were immiscible across the entire composition range.

Control for Population Structure and Relatedness for Binary Traits in Genetic Association Studies via Logistic Mixed Models.

PubMed

Chen, Han; Wang, Chaolong; Conomos, Matthew P; Stilp, Adrienne M; Li, Zilin; Sofer, Tamar; Szpiro, Adam A; Chen, Wei; Brehm, John M; Celedón, Juan C; Redline, Susan; Papanicolaou, George J; Thornton, Timothy A; Laurie, Cathy C; Rice, Kenneth; Lin, Xihong

2016-04-07

Linear mixed models (LMMs) are widely used in genome-wide association studies (GWASs) to account for population structure and relatedness, for both continuous and binary traits. Motivated by the failure of LMMs to control type I errors in a GWAS of asthma, a binary trait, we show that LMMs are generally inappropriate for analyzing binary traits when population stratification leads to violation of the LMM's constant-residual variance assumption. To overcome this problem, we develop a computationally efficient logistic mixed model approach for genome-wide analysis of binary traits, the generalized linear mixed model association test (GMMAT). This approach fits a logistic mixed model once per GWAS and performs score tests under the null hypothesis of no association between a binary trait and individual genetic variants. We show in simulation studies and real data analysis that GMMAT effectively controls for population structure and relatedness when analyzing binary traits in a wide variety of study designs. Copyright © 2016 The American Society of Human Genetics. Published by Elsevier Inc. All rights reserved.

Analysis of the statistical thermodynamic model for nonlinear binary protein adsorption equilibria.

PubMed

Zhou, Xiao-Peng; Su, Xue-Li; Sun, Yan

2007-01-01

The statistical thermodynamic (ST) model was used to study nonlinear binary protein adsorption equilibria on an anion exchanger. Single-component and binary protein adsorption isotherms of bovine hemoglobin (Hb) and bovine serum albumin (BSA) on DEAE Spherodex M were determined by batch adsorption experiments in 10 mM Tris-HCl buffer containing a specific NaCl concentration (0.05, 0.10, and 0.15 M) at pH 7.40. The ST model was found to depict the effect of ionic strength on the single-component equilibria well, with model parameters depending on ionic strength. Moreover, the ST model gave acceptable fitting to the binary adsorption data with the fitted single-component model parameters, leading to the estimation of the binary ST model parameter. The effects of ionic strength on the model parameters are reasonably interpreted by the electrostatic and thermodynamic theories. The effective charge of protein in adsorption phase can be separately calculated from the two categories of the model parameters, and the values obtained from the two methods are consistent. The results demonstrate the utility of the ST model for describing nonlinear binary protein adsorption equilibria.

Galaxy Rotation and Rapid Supermassive Binary Coalescence

NASA Astrophysics Data System (ADS)

Holley-Bockelmann, Kelly; Khan, Fazeel Mahmood

2015-09-01

Galaxy mergers usher the supermassive black hole (SMBH) in each galaxy to the center of the potential, where they form an SMBH binary. The binary orbit shrinks by ejecting stars via three-body scattering, but ample work has shown that in spherical galaxy models, the binary separation stalls after ejecting all the stars in its loss cone—this is the well-known final parsec problem. However, it has been shown that SMBH binaries in non-spherical galactic nuclei harden at a nearly constant rate until reaching the gravitational wave regime. Here we use a suite of direct N-body simulations to follow SMBH binary evolution in both corotating and counterrotating flattened galaxy models. For N > 500 K, we find that the evolution of the SMBH binary is convergent and is independent of the particle number. Rotation in general increases the hardening rate of SMBH binaries even more effectively than galaxy geometry alone. SMBH binary hardening rates are similar for co- and counterrotating galaxies. In the corotating case, the center of mass of the SMBH binary settles into an orbit that is in corotation resonance with the background rotating model, and the coalescence time is roughly a few 100 Myr faster than a non-rotating flattened model. We find that counterrotation drives SMBHs to coalesce on a nearly radial orbit promptly after forming a hard binary. We discuss the implications for gravitational wave astronomy, hypervelocity star production, and the effect on the structure of the host galaxy.

GALAXY ROTATION AND RAPID SUPERMASSIVE BINARY COALESCENCE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holley-Bockelmann, Kelly; Khan, Fazeel Mahmood, E-mail: k.holley@vanderbilt.edu

2015-09-10

Galaxy mergers usher the supermassive black hole (SMBH) in each galaxy to the center of the potential, where they form an SMBH binary. The binary orbit shrinks by ejecting stars via three-body scattering, but ample work has shown that in spherical galaxy models, the binary separation stalls after ejecting all the stars in its loss cone—this is the well-known final parsec problem. However, it has been shown that SMBH binaries in non-spherical galactic nuclei harden at a nearly constant rate until reaching the gravitational wave regime. Here we use a suite of direct N-body simulations to follow SMBH binary evolutionmore » in both corotating and counterrotating flattened galaxy models. For N > 500 K, we find that the evolution of the SMBH binary is convergent and is independent of the particle number. Rotation in general increases the hardening rate of SMBH binaries even more effectively than galaxy geometry alone. SMBH binary hardening rates are similar for co- and counterrotating galaxies. In the corotating case, the center of mass of the SMBH binary settles into an orbit that is in corotation resonance with the background rotating model, and the coalescence time is roughly a few 100 Myr faster than a non-rotating flattened model. We find that counterrotation drives SMBHs to coalesce on a nearly radial orbit promptly after forming a hard binary. We discuss the implications for gravitational wave astronomy, hypervelocity star production, and the effect on the structure of the host galaxy.« less

First Higher-Multipole Model of Gravitational Waves from Spinning and Coalescing Black-Hole Binaries

NASA Astrophysics Data System (ADS)

London, Lionel; Khan, Sebastian; Fauchon-Jones, Edward; García, Cecilio; Hannam, Mark; Husa, Sascha; Jiménez-Forteza, Xisco; Kalaghatgi, Chinmay; Ohme, Frank; Pannarale, Francesco

2018-04-01

Gravitational-wave observations of binary black holes currently rely on theoretical models that predict the dominant multipoles (ℓ=2 ,|m |=2 ) of the radiation during inspiral, merger, and ringdown. We introduce a simple method to include the subdominant multipoles to binary black hole gravitational waveforms, given a frequency-domain model for the dominant multipoles. The amplitude and phase of the original model are appropriately stretched and rescaled using post-Newtonian results (for the inspiral), perturbation theory (for the ringdown), and a smooth transition between the two. No additional tuning to numerical-relativity simulations is required. We apply a variant of this method to the nonprecessing PhenomD model. The result, PhenomHM, constitutes the first higher-multipole model of spinning and coalescing black-hole binaries, and currently includes the (ℓ,|m |)=(2 ,2 ),(3 ,3 ),(4 ,4 ),(2 ,1 ),(3 ,2 ),(4 ,3 ) radiative moments. Comparisons with numerical-relativity waveforms demonstrate that PhenomHM is more accurate than dominant-multipole-only models for all binary configurations, and typically improves the measurement of binary properties.

First Higher-Multipole Model of Gravitational Waves from Spinning and Coalescing Black-Hole Binaries.

PubMed

London, Lionel; Khan, Sebastian; Fauchon-Jones, Edward; García, Cecilio; Hannam, Mark; Husa, Sascha; Jiménez-Forteza, Xisco; Kalaghatgi, Chinmay; Ohme, Frank; Pannarale, Francesco

2018-04-20

Gravitational-wave observations of binary black holes currently rely on theoretical models that predict the dominant multipoles (ℓ=2,|m|=2) of the radiation during inspiral, merger, and ringdown. We introduce a simple method to include the subdominant multipoles to binary black hole gravitational waveforms, given a frequency-domain model for the dominant multipoles. The amplitude and phase of the original model are appropriately stretched and rescaled using post-Newtonian results (for the inspiral), perturbation theory (for the ringdown), and a smooth transition between the two. No additional tuning to numerical-relativity simulations is required. We apply a variant of this method to the nonprecessing PhenomD model. The result, PhenomHM, constitutes the first higher-multipole model of spinning and coalescing black-hole binaries, and currently includes the (ℓ,|m|)=(2,2),(3,3),(4,4),(2,1),(3,2),(4,3) radiative moments. Comparisons with numerical-relativity waveforms demonstrate that PhenomHM is more accurate than dominant-multipole-only models for all binary configurations, and typically improves the measurement of binary properties.

Flexible link functions in nonparametric binary regression with Gaussian process priors.

PubMed

Li, Dan; Wang, Xia; Lin, Lizhen; Dey, Dipak K

2016-09-01

In many scientific fields, it is a common practice to collect a sequence of 0-1 binary responses from a subject across time, space, or a collection of covariates. Researchers are interested in finding out how the expected binary outcome is related to covariates, and aim at better prediction in the future 0-1 outcomes. Gaussian processes have been widely used to model nonlinear systems; in particular to model the latent structure in a binary regression model allowing nonlinear functional relationship between covariates and the expectation of binary outcomes. A critical issue in modeling binary response data is the appropriate choice of link functions. Commonly adopted link functions such as probit or logit links have fixed skewness and lack the flexibility to allow the data to determine the degree of the skewness. To address this limitation, we propose a flexible binary regression model which combines a generalized extreme value link function with a Gaussian process prior on the latent structure. Bayesian computation is employed in model estimation. Posterior consistency of the resulting posterior distribution is demonstrated. The flexibility and gains of the proposed model are illustrated through detailed simulation studies and two real data examples. Empirical results show that the proposed model outperforms a set of alternative models, which only have either a Gaussian process prior on the latent regression function or a Dirichlet prior on the link function. © 2015, The International Biometric Society.

Flexible Link Functions in Nonparametric Binary Regression with Gaussian Process Priors

PubMed Central

Li, Dan; Lin, Lizhen; Dey, Dipak K.

2015-01-01

Summary In many scientific fields, it is a common practice to collect a sequence of 0-1 binary responses from a subject across time, space, or a collection of covariates. Researchers are interested in finding out how the expected binary outcome is related to covariates, and aim at better prediction in the future 0-1 outcomes. Gaussian processes have been widely used to model nonlinear systems; in particular to model the latent structure in a binary regression model allowing nonlinear functional relationship between covariates and the expectation of binary outcomes. A critical issue in modeling binary response data is the appropriate choice of link functions. Commonly adopted link functions such as probit or logit links have fixed skewness and lack the flexibility to allow the data to determine the degree of the skewness. To address this limitation, we propose a flexible binary regression model which combines a generalized extreme value link function with a Gaussian process prior on the latent structure. Bayesian computation is employed in model estimation. Posterior consistency of the resulting posterior distribution is demonstrated. The flexibility and gains of the proposed model are illustrated through detailed simulation studies and two real data examples. Empirical results show that the proposed model outperforms a set of alternative models, which only have either a Gaussian process prior on the latent regression function or a Dirichlet prior on the link function. PMID:26686333

Atomistic Modeling of RuAl and (RuNi) Al Alloys

NASA Technical Reports Server (NTRS)

Gargano, Pablo; Mosca, Hugo; Bozzolo, Guillermo; Noebe, Ronald D.; Gray, Hugh R. (Technical Monitor)

2002-01-01

Atomistic modeling of RuAl and RuAlNi alloys, using the BFS (Bozzolo-Ferrante-Smith) method for alloys is performed. The lattice parameter and energy of formation of B2 RuAl as a function of stoichiometry and the lattice parameter of (Ru(sub 50-x)Ni(sub x)Al(sub 50)) alloys as a function of Ni concentration are computed. BFS based Monte Carlo simulations indicate that compositions close to Ru25Ni25Al50 are single phase with no obvious evidence of a miscibility gap and separation of the individual B2 phases.

Polymer Dynamics from Synthetic to Biological Macromolecules

NASA Astrophysics Data System (ADS)

Richter, D.; Niedzwiedz, K.; Monkenbusch, M.; Wischnewski, A.; Biehl, R.; Hoffmann, B.; Merkel, R.

2008-02-01

High resolution neutron scattering together with a meticulous choice of the contrast conditions allows to access the large scale dynamics of soft materials including biological molecules in space and time. In this contribution we present two examples. One from the world of synthetic polymers, the other from biomolecules. First, we will address the peculiar dynamics of miscible polymer blends with very different component glass transition temperatures. Polymethylmetacrylate (PMMA), polyethyleneoxide (PEO) are perfectly miscible but exhibit a difference in the glass transition temperature by 200 K. We present quasielastic neutron scattering investigations on the dynamics of the fast component in the range from angströms to nanometers over a time frame of five orders of magnitude. All data may be consistently described in terms of a Rouse model with random friction, reflecting the random environment imposed by the nearly frozen PMMA matrix on the fast mobile PEO. In the second part we touch on some new developments relating to large scale internal dynamics of proteins by neutron spin echo. We will report results of some pioneering studies which show the feasibility of such experiments on large scale protein motion which will most likely initiate further studies in the future.

Biocatalysis with thermostable enzymes: structure and properties of a thermophilic 'ene'-reductase related to old yellow enzyme.

PubMed

Adalbjörnsson, Björn V; Toogood, Helen S; Fryszkowska, Anna; Pudney, Christopher R; Jowitt, Thomas A; Leys, David; Scrutton, Nigel S

2010-01-25

We report the crystal structure of a thermophilic "ene" reductase (TOYE) isolated from Thermoanaerobacter pseudethanolicus E39. The crystal structure reveals a tetrameric enzyme and an active site that is relatively large compared to most other structurally determined and related Old Yellow Enzymes. The enzyme adopts higher order oligomeric states (octamers and dodecamers) in solution, as revealed by sedimentation velocity and multiangle laser light scattering. Bead modelling indicates that the solution structure is consistent with the basic tetrameric structure observed in crystallographic studies and electron microscopy. TOYE is stable at high temperatures (T(m)>70 degrees C) and shows increased resistance to denaturation in water-miscible organic solvents compared to the mesophilic Old Yellow Enzyme family member, pentaerythritol tetranitrate reductase. TOYE has typical ene-reductase properties of the Old Yellow Enzyme family. There is currently major interest in using Old Yellow Enzyme family members in the preparative biocatalysis of a number of activated alkenes. The increased stability of TOYE in organic solvents is advantageous for biotransformations in which water-miscible organic solvents and biphasic reaction conditions are required to both deliver novel substrates and minimize product racemisation.

Anesthetics lower Tc of a 2D miscibility critical point in the plasma membrane

NASA Astrophysics Data System (ADS)

Machta, Benjamin; Gray, Elly; Veatch, Sarah

2014-03-01

Many small hydrophobic molecules induce general anesthesia. Their efficacy as anesthetics has been shown to correlate both with their hydrophobicity and with their potency in inhibiting certain ligand gated ion channels. I will first report on our experiments on the effects that these molecules have on the two-dimensional miscibility critical point observed in cell derived vesicles (GPMVs). We show that anesthetics depress the critical temperature (Tc) of these GPMVs but do not strongly affect the ratio of phases found below Tc. The magnitude of this affect is consistent across the n-alcohols only when their concentration is rescaled by the median anesthetic concentration (AC50) for tadpole anesthesia and at AC50 we see a 4K downward shift in Tc. I will next present a model in which anesthetics interfere with native allosteric regulation of ligand gated channels by the critical membrane, showing that our observed change in critical properties could lead to the previously observed changes in channel conductance without a direct interaction between anesthetic molecules and their target proteins. Finally, I will discuss ongoing experiments that will clarify the role of this membrane effect in mediating the organism level anesthetic response.

High throughput screening: an in silico solubility parameter approach for lipids and solvents in SLN preparations.

PubMed

Shah, Malay; Agrawal, Yadvendra

2013-01-01

The present paper describes an in silico solubility behavior of drug and lipids, an essential screening study in preparation of solid lipid nanoparticles (SLN). Ciprofloxacin HCl was selected as a model drug along with 11 lipids and 5 organic solvents. In silico miscibility study of drug/lipid/solvent was performed using Hansen solubility parameter approach calculated by group contribution method of Van Krevelen and Hoftyzer. Predicted solubility was validated by determining solubility of lipids in various solvent at different temperature range, while miscibility of drug in lipids was determined by apparent solubility study and partition experiment. The presence of oxygen and OH functionality increases the polarity and hydrogen bonding possibilities of the compound which has reflected the highest solubility parameter values for Geleol and Capmul MCM C8. Ethyl acetate, Geleol and Capmul MCM C8 was identified as suitable organic solvent, solid lipid and liquid lipid respectively based on a solubility parameter approach which was in agreement with the result of an apparent solubility study and partition coefficient. These works demonstrate the validity of solubility parameter approach and provide a feasible predictor to the rational selection of excipients in designing SLN formulation.

Multiscale structure, interfacial cohesion, adsorbed layers, miscibility and properties in dense polymer-particle mixtures

NASA Astrophysics Data System (ADS)

Schweizer, Ken

2012-02-01

A major goal in polymer nanocomposite research is to understand and predict how the chemical and physical nature of individual polymers and nanoparticles, and thermodynamic state (temperature, composition, solvent dilution, filler loading), determine bulk assembly, miscibility and properties. Microscopic PRISM theory provides a route to this goal for equilibrium disordered mixtures. A major prediction is that by manipulating the net polymer-particle interfacial attraction, miscibility is realizable via the formation of thin thermodynamically stable adsorbed layers, which, however, are destroyed by entropic depletion and bridging attraction effects if interface cohesion is too weak or strong, respectively. This and related issues are quantitatively explored for miscible mixtures of hydrocarbon polymers, silica nanospheres, and solvent using x-ray scattering, neutron scattering and rheology. Under melt conditions, quantitative agreement between theory and silica scattering experiments is achieved under both steric stabilization and weak depletion conditions. Using contrast matching neutron scattering to characterize the collective structure factors of polymers, particles and their interface, the existence and size of adsorbed polymer layers, and their consequences on microstructure, is determined. Failure of the incompressible RPA, accuracy of PRISM theory, the nm thickness of adsorbed layers, and qualitative sensitivity of the bulk modulus to interfacial cohesion and particle size are demonstrated for concentrated PEO-silica-ethanol nanocomposites. Temperature-dependent complexity is discovered when water is the solvent, and nonequilibrium effects emerge for adsorbing entangled polymers that strongly impact structure. By varying polymer chemistry, the effect of polymer-particle attraction on the intrinsic viscosity is explored with striking non-classical effects observed. This work was performed in collaboration with S.Y.Kim, L.M.Hall, C.Zukoski and B.Anderson.

Emission-line diagnostics of nearby H II regions including interacting binary populations

NASA Astrophysics Data System (ADS)

Xiao, Lin; Stanway, Elizabeth R.; Eldridge, J. J.

2018-06-01

We present numerical models of the nebular emission from H II regions around young stellar populations over a range of compositions and ages. The synthetic stellar populations include both single stars and interacting binary stars. We compare these models to the observed emission lines of 254 H II regions of 13 nearby spiral galaxies and 21 dwarf galaxies drawn from archival data. The models are created using the combination of the BPASS (Binary Population and Spectral Synthesis) code with the photoionization code CLOUDY to study the differences caused by the inclusion of interacting binary stars in the stellar population. We obtain agreement with the observed emission line ratios from the nearby star-forming regions and discuss the effect of binary-star evolution pathways on the nebular ionization of H II regions. We find that at population ages above 10 Myr, single-star models rapidly decrease in flux and ionization strength, while binary-star models still produce strong flux and high [O III]/H β ratios. Our models can reproduce the metallicity of H II regions from spiral galaxies, but we find higher metallicities than previously estimated for the H II regions from dwarf galaxies. Comparing the equivalent width of H β emission between models and observations, we find that accounting for ionizing photon leakage can affect age estimates for H II regions. When it is included, the typical age derived for H II regions is 5 Myr from single-star models, and up to 10 Myr with binary-star models. This is due to the existence of binary-star evolution pathways, which produce more hot Wolf-Rayet and helium stars at older ages. For future reference, we calculate new BPASS binary maximal starburst lines as a function of metallicity, and for the total model population, and present these in Appendix A.

Formation and Evolution of X-ray Binaries

NASA Astrophysics Data System (ADS)

Fragkos, Anastasios

X-ray binaries - mass-transferring binary stellar systems with compact object accretors - are unique astrophysical laboratories. They carry information about many complex physical processes such as star formation, compact object formation, and evolution of interacting binaries. My thesis work involves the study of the formation and evolution of Galactic and extra-galacticX-ray binaries using both detailed and realistic simulation tools, and population synthesis techniques. I applied an innovative analysis method that allows the reconstruction of the full evolutionary history of known black hole X-ray binaries back to the time of compact object formation. This analysis takes into account all the available observationally determined properties of a system, and models in detail four of its evolutionary evolutionary phases: mass transfer through the ongoing X-ray phase, tidal evolution before the onset of Roche-lobe overflow, motion through the Galactic potential after the formation of the black hole, and binary orbital dynamics at the time of core collapse. Motivated by deep extra-galactic Chandra survey observations, I worked on population synthesis models of low-mass X-ray binaries in the two elliptical galaxies NGC3379 and NGC4278. These simulations were targeted at understanding the origin of the shape and normalization of the observed X-ray luminosity functions. In a follow up study, I proposed a physically motivated prescription for the modeling of transient neutron star low-mass X-ray binary properties, such as duty cycle, outburst duration and recurrence time. This prescription enabled the direct comparison of transient low-mass X-ray binary population synthesis models to the Chandra X-ray survey of the two ellipticals NGC3379 and NGC4278. Finally, I worked on population synthesismodels of black holeX-ray binaries in the MilkyWay. This work was motivated by recent developments in observational techniques for the measurement of black hole spin magnitudes in black hole X-ray binaries. The accuracy of these techniques depend on misalignment of the black hole spin with respect to the orbital angular momentum. In black hole X-ray binaries, this misalignment can occur during the supernova explosion that forms the compact object. In this study, I presented population synthesis models of Galactic black hole X-ray binaries, and examined the distribution of misalignment angles, and its dependence on the model parameters.

Mesoscopic model for binary fluids

NASA Astrophysics Data System (ADS)

Echeverria, C.; Tucci, K.; Alvarez-Llamoza, O.; Orozco-Guillén, E. E.; Morales, M.; Cosenza, M. G.

2017-10-01

We propose a model for studying binary fluids based on the mesoscopic molecular simulation technique known as multiparticle collision, where the space and state variables are continuous, and time is discrete. We include a repulsion rule to simulate segregation processes that does not require calculation of the interaction forces between particles, so binary fluids can be described on a mesoscopic scale. The model is conceptually simple and computationally efficient; it maintains Galilean invariance and conserves the mass and energy in the system at the micro- and macro-scale, whereas momentum is conserved globally. For a wide range of temperatures and densities, the model yields results in good agreement with the known properties of binary fluids, such as the density profile, interface width, phase separation, and phase growth. We also apply the model to the study of binary fluids in crowded environments with consistent results.

Using Model Point Spread Functions to Identifying Binary Brown Dwarf Systems

NASA Astrophysics Data System (ADS)

Matt, Kyle; Stephens, Denise C.; Lunsford, Leanne T.

2017-01-01

A Brown Dwarf (BD) is a celestial object that is not massive enough to undergo hydrogen fusion in its core. BDs can form in pairs called binaries. Due to the great distances between Earth and these BDs, they act as point sources of light and the angular separation between binary BDs can be small enough to appear as a single, unresolved object in images, according to Rayleigh Criterion. It is not currently possible to resolve some of these objects into separate light sources. Stephens and Noll (2006) developed a method that used model point spread functions (PSFs) to identify binary Trans-Neptunian Objects, we will use this method to identify binary BD systems in the Hubble Space Telescope archive. This method works by comparing model PSFs of single and binary sources to the observed PSFs. We also use a method to compare model spectral data for single and binary fits to determine the best parameter values for each component of the system. We describe these methods, its challenges and other possible uses in this poster.

Modeling the binary circumstellar medium of Type IIb/L/n supernova progenitors

NASA Astrophysics Data System (ADS)

Kolb, Christopher; Blondin, John; Borkowski, Kazik; Reynolds, Stephen

2018-01-01

Circumstellar interaction in close binary systems can produce a highly asymmetric environment, particularly for systems with a mass outflow velocity comparable to the binary orbital speed. This asymmetric circumstellar medium (CSM) becomes visible after a supernova explosion, when SN radiation illuminates the gas and when SN ejecta collide with the CSM. We aim to better understand the development of this asymmetric CSM, particularly for binary systems containing a red supergiant progenitor, and to study its impact on supernova morphology. To achieve this, we model the asymmetric wind and subsequent supernova explosion in full 3D hydrodynamics using the shock-capturing hydro code VH-1 on a spherical yin-yang grid. Wind interaction is computed in a frame co-rotating with the binary system, and gas is accelerated using a radiation pressure-driven wind model where optical depth of the radiative force is dependent on azimuthally-averaged gas density. We present characterization of our asymmetric wind density distribution model by fitting a polar-to-equatorial density contrast function to free parameters such as binary separation distance, primary mass loss rate, and binary mass ratio.

Binary Black Hole Mergers from Globular Clusters: Implications for Advanced LIGO.

PubMed

Rodriguez, Carl L; Morscher, Meagan; Pattabiraman, Bharath; Chatterjee, Sourav; Haster, Carl-Johan; Rasio, Frederic A

2015-07-31

The predicted rate of binary black hole mergers from galactic fields can vary over several orders of magnitude and is extremely sensitive to the assumptions of stellar evolution. But in dense stellar environments such as globular clusters, binary black holes form by well-understood gravitational interactions. In this Letter, we study the formation of black hole binaries in an extensive collection of realistic globular cluster models. By comparing these models to observed Milky Way and extragalactic globular clusters, we find that the mergers of dynamically formed binaries could be detected at a rate of ∼100 per year, potentially dominating the binary black hole merger rate. We also find that a majority of cluster-formed binaries are more massive than their field-formed counterparts, suggesting that Advanced LIGO could identify certain binaries as originating from dense stellar environments.

Synthetic Survey of the Kepler Field

NASA Astrophysics Data System (ADS)

Wells, Mark; Prša, Andrej

2018-01-01

In the era of large scale surveys, including LSST and Gaia, binary population studies will flourish due to the large influx of data. In addition to probing binary populations as a function of galactic latitude, under-sampled groups such as low mass binaries will be observed at an unprecedented rate. To prepare for these missions, binary population simulations need to be carried out at high fidelity. These simulations will enable the creation of simulated data and, through comparison with real data, will allow the underlying binary parameter distributions to be explored. In order for the simulations to be considered robust, they should reproduce observed distributions accurately. To this end we have developed a simulator which takes input models and creates a synthetic population of eclipsing binaries. Starting from a galactic single star model, implemented using Galaxia, a code by Sharma et al. (2011), and applying observed multiplicity, mass-ratio, period, and eccentricity distributions, as reported by Raghavan et al. (2010), Duchêne & Kraus (2013), and Moe & Di Stefano (2017), we are able to generate synthetic binary surveys that correspond to any survey cadences. In order to calibrate our input models we compare the results of our synthesized eclipsing binary survey to the Kepler Eclipsing Binary catalog.

Control of surface adatom kinetics for the growth of high-indium content InGaN throughout the miscibility gap

NASA Astrophysics Data System (ADS)

Moseley, Michael; Lowder, Jonathan; Billingsley, Daniel; Doolittle, W. Alan

2010-11-01

The surface kinetics of InGaN alloys grown via metal-modulated epitaxy (MME) are explored in combination with transient reflection high-energy electron diffraction intensities. A method for monitoring and controlling indium segregation in situ is demonstrated. It is found that indium segregation is more accurately associated with the quantity of excess adsorbed metal, rather than the metal-rich growth regime in general. A modified form of MME is developed in which the excess metal dose is managed via shuttered growth, and high-quality InGaN films throughout the miscibility gap are grown.

A study examining the effects of water-miscible cutting fluids for end milling process of carbon fiber reinforced plastic

NASA Astrophysics Data System (ADS)

Anan, Ruito; Matsuoka, Hironori; Ono, Hajime; Ryu, Takahiro; Nakae, Takashi; Shuto, Schuichi; Watanabe, Suguru; Sato, Yuta

2017-04-01

This study examined the improvements to the tool life and finished surface roughness by using water-miscible cutting fluids in carbon fiber reinforced plastics end milling. In cutting tests, it was found that the use of emulsion type, soluble type, and solution type cutting fluids improved tool life compared with the case of dry cutting. Specifically, significant differences in tool life were observed at a high cutting speed of 171 m/min. In addition, the finished surface exhibited a low level of roughness when the solution type cutting fluid was used, regardless of the cutting speed.

Instability patterns in a miscible core annular flow

NASA Astrophysics Data System (ADS)

D'Olce, Marguerite; Martin, Jerome; Rakotomalala, Nicole; Salin, Dominique; Talon, Laurent

2006-11-01

Laboratoire FAST, batiment 502, campus universitaire, 91405 Orsay Cedex (France). Experiments are performed with two miscible fluids of equal density but different viscosities. The fluids are injected co-currently and concentrically into a cylindrical pipe. The so-obtained base state is an axisymmetric parallel flow, for which the ratio of the flow rates of the two fluids monitors the relative amount (and so the radius) of the fluids. Depending on this relative amount and on the total flow rate of the fluids, unstable axisymmetric patterns such as mushrooms and pearls are observed. We delineate the diagram of occurrence of the two patterns and characterize the instabilities.

Buoyancy driven mixing of miscible fluids by volumetric energy deposition of microwaves.

PubMed

Wachtor, Adam J; Mocko, Veronika; Williams, Darrick J; Goertz, Matthew P; Jebrail, Farzaneh F

2013-01-01

An experiment that seeks to investigate buoyancy driven mixing of miscible fluids by microwave volumetric energy deposition is presented. The experiment involves the use of a light, non-polar fluid that initially rests on top of a heavier fluid which is more polar. Microwaves preferentially heat the polar fluid, and its density decreases due to thermal expansion. As the microwave heating continues, the density of the lower fluid eventually becomes less than that of the upper, and buoyancy driven Rayleigh-Taylor mixing ensues. The choice of fluids is crucial to the success of the experiment, and a description is given of numerous fluid combinations considered and characterized. After careful consideration, the miscible pair of toluene/tetrahydrofuran (THF) was determined as having the best potential for successful volumetric energy deposition buoyancy driven mixing. Various single fluid calibration experiments were performed to facilitate the development of a heating theory. Thereafter, results from two-fluid mixing experiments are presented that demonstrate the capability of this novel Rayleigh-Taylor driven experiment. Particular interest is paid to the onset of buoyancy driven mixing and unusual aspects of the experiment in the context of typical Rayleigh-Taylor driven mixing.

Competing Stereocomplexation and Homocrystallization of Poly(l-lactic acid)/Poly(d-lactic acid) Racemic Mixture: Effects of Miscible Blending with Other Polymers.

PubMed

Bao, Jianna; Xue, Xiaojia; Li, Kai; Chang, Xiaohua; Xie, Qing; Yu, Chengtao; Pan, Pengju

2017-07-20

Promoting the stereocomplexation ability of high-molecular-weight poly(l-lactic acid) (PLLA) and poly(d-lactic acid) (PDLA) is an efficient way to improve the thermal resistance of the resulting materials. Herein, we studied the competing crystallization kinetics, polymorphic crystalline structure, and lamellae structure of the PLLA/PDLA component in its miscible blends with poly(vinyl acetate) (PVAc) and proposed a method to improve the stereocomplexation ability of PLLA and PDLA through miscible blending with the other polymer. Crystallization of the PLLA/PDLA component is suppressed after the addition of PVAc, due to the dilution effect. The stereocomplexation ability of PLLA and PDLA is enhanced by blending with PVAc; this becomes more obvious at a high PVAc content (≥50 wt %) but less significant with the further increase of PLLA, PDLA molecular weights. Almost exclusive formation of SCs is achieved for PLLA and PDLA after blending with a large proportion of PVAc (e.g., 75 wt %). Incorporation of PVAc also facilitates the HC-to-SC structural reorganization upon heating. The increased chain mobility, decreased equilibrium melting point, and enhanced intermolecular interactions may account for the preferential stereocomplexation in PLLA/PDLA/PVAc blends.

Permanganate gel (PG) for groundwater remediation: compatibility, gelation, and release characteristics.

PubMed

Lee, Eung Seok; Olson, Pamela R; Gupta, Neha; Solpuker, Utku; Schwartz, Franklin W; Kim, Yongje

2014-02-01

Permanganate (MnO4(-)) is a strong oxidant that is widely used for treating chlorinated ethylenes in groundwater. This study aims to develop hyper-saline MnO4(-) solution (MnO4(-) gel; PG) that can be injected into aquifers via wells, slowly gelates over time, and slowly release MnO4(-) to flowing water. In this study, compatibility and miscibility of gels, such as chitosan, aluminosilicate, silicate, and colloidal silica gels, with MnO4(-) were tested. Of these gels, chitosan was reactive with MnO4(-). Aluminosilicates were compatible but not readily miscible with MnO4(-). Silicates and colloidal silica were both compatible and miscible with MnO4(-), and gelated with addition of KMnO4 granules. Colloidal silica has low initial viscosity (<15cP), exhibited delayed gelation characteristics with the lag times ranging from 0 to 200min. Release of MnO4(-) from the colloidal silica-based PG gel occurred in a delayed fashion, with maximum duration of 24h. These results suggested that colloidal silica can be used to create PG or delayed-gelling forms containing other oxidants which can be used for groundwater remediation. Copyright © 2013 Elsevier Ltd. All rights reserved.

A possible formation channel for blue hook stars in globular cluster - II. Effects of metallicity, mass ratio, tidal enhancement efficiency and helium abundance

NASA Astrophysics Data System (ADS)

Lei, Zhenxin; Zhao, Gang; Zeng, Aihua; Shen, Lihua; Lan, Zhongjian; Jiang, Dengkai; Han, Zhanwen

2016-12-01

Employing tidally enhanced stellar wind, we studied in binaries the effects of metallicity, mass ratio of primary to secondary, tidal enhancement efficiency and helium abundance on the formation of blue hook (BHk) stars in globular clusters (GCs). A total of 28 sets of binary models combined with different input parameters are studied. For each set of binary model, we presented a range of initial orbital periods that is needed to produce BHk stars in binaries. All the binary models could produce BHk stars within different range of initial orbital periods. We also compared our results with the observation in the Teff-logg diagram of GC NGC 2808 and ω Cen. Most of the BHk stars in these two GCs locate well in the region predicted by our theoretical models, especially when C/N-enhanced model atmospheres are considered. We found that mass ratio of primary to secondary and tidal enhancement efficiency have little effects on the formation of BHk stars in binaries, while metallicity and helium abundance would play important roles, especially for helium abundance. Specifically, with helium abundance increasing in binary models, the space range of initial orbital periods needed to produce BHk stars becomes obviously wider, regardless of other input parameters adopted. Our results were discussed with recent observations and other theoretical models.

Are Binary Separations related to their System Mass?

NASA Astrophysics Data System (ADS)

Sterzik, M. F.; Durisen, R. H.

2004-08-01

We compile most recent multiplicity fractions and binary separation distributions for different primary masses, including very low-mass and brown dwarf primaries, and compare them with dynamical decay models of small-N clusters. The model predictions are based on detailed numerical calculations of the internal cluster dynamics, as well as on Monte-Carlo methods. Both observations and models reflect the same trends: (1) The multiplicity fraction is an increasing function of the primary mass. (2) The mean binary separations are increasing with the system mass in the sense that very low-mass binaries have average separations around ≈ 4AU, while the binary separation distribution for solar-type primaries peaks at ≈ 40AU. M-type binary systems apparently preferentially populate intermediate separations. Similar specific energy at the time of cluster formation for all cluster masses can possibly explain this trend.

Accuracy of binary black hole waveform models for aligned-spin binaries

NASA Astrophysics Data System (ADS)

Kumar, Prayush; Chu, Tony; Fong, Heather; Pfeiffer, Harald P.; Boyle, Michael; Hemberger, Daniel A.; Kidder, Lawrence E.; Scheel, Mark A.; Szilagyi, Bela

2016-05-01

Coalescing binary black holes are among the primary science targets for second generation ground-based gravitational wave detectors. Reliable gravitational waveform models are central to detection of such systems and subsequent parameter estimation. This paper performs a comprehensive analysis of the accuracy of recent waveform models for binary black holes with aligned spins, utilizing a new set of 84 high-accuracy numerical relativity simulations. Our analysis covers comparable mass binaries (mass-ratio 1 ≤q ≤3 ), and samples independently both black hole spins up to a dimensionless spin magnitude of 0.9 for equal-mass binaries and 0.85 for unequal mass binaries. Furthermore, we focus on the high-mass regime (total mass ≳50 M⊙ ). The two most recent waveform models considered (PhenomD and SEOBNRv2) both perform very well for signal detection, losing less than 0.5% of the recoverable signal-to-noise ratio ρ , except that SEOBNRv2's efficiency drops slightly for both black hole spins aligned at large magnitude. For parameter estimation, modeling inaccuracies of the SEOBNRv2 model are found to be smaller than systematic uncertainties for moderately strong GW events up to roughly ρ ≲15 . PhenomD's modeling errors are found to be smaller than SEOBNRv2's, and are generally irrelevant for ρ ≲20 . Both models' accuracy deteriorates with increased mass ratio, and when at least one black hole spin is large and aligned. The SEOBNRv2 model shows a pronounced disagreement with the numerical relativity simulation in the merger phase, for unequal masses and simultaneously both black hole spins very large and aligned. Two older waveform models (PhenomC and SEOBNRv1) are found to be distinctly less accurate than the more recent PhenomD and SEOBNRv2 models. Finally, we quantify the bias expected from all four waveform models during parameter estimation for several recovered binary parameters: chirp mass, mass ratio, and effective spin.

High-mass X-ray binary populations. 1: Galactic modeling

NASA Technical Reports Server (NTRS)

Dalton, William W.; Sarazin, Craig L.

1995-01-01

Modern stellar evolutionary tracks are used to calculate the evolution of a very large number of massive binary star systems (M(sub tot) greater than or = 15 solar mass) which cover a wide range of total masses, mass ratios, and starting separations. Each binary is evolved accounting for mass and angular momentum loss through the supernova of the primary to the X-ray binary phase. Using the observed rate of star formation in our Galaxy and the properties of massive binaries, we calculate the expected high-mass X-ray binary (HMXRB) population in the Galaxy. We test various massive binary evolutionary scenarios by comparing the resulting HMXRB predictions with the X-ray observations. A major goal of this study is the determination of the fraction of matter lost from the system during the Roche lobe overflow phase. Curiously, we find that the total numbers of observable HMXRBs are nearly independent of this assumed mass-loss fraction, with any of the values tested here giving acceptable agreement between predicted and observed numbers. However, comparison of the period distribution of our HMXRB models with the observed period distribution does reveal a distinction among the various models. As a result of this comparison, we conclude that approximately 70% of the overflow matter is lost from a massive binary system during mass transfer in the Roche lobe overflow phase. We compare models constructed assuming that all X-ray emission is due to accretion onto the compact object from the donor star's wind with models that incorporate a simplified disk accretion scheme. By comparing the results of these models with observations, we conclude that the formation of disks in HMXRBs must be relatively common. We also calculate the rate of formation of double degenerate binaries, high velocity detached compact objects, and Thorne-Zytkow objects.

Accuracy of Binary Black Hole Waveform Models for Advanced LIGO

NASA Astrophysics Data System (ADS)

Kumar, Prayush; Fong, Heather; Barkett, Kevin; Bhagwat, Swetha; Afshari, Nousha; Chu, Tony; Brown, Duncan; Lovelace, Geoffrey; Pfeiffer, Harald; Scheel, Mark; Szilagyi, Bela; Simulating Extreme Spacetimes (SXS) Team

2016-03-01

Coalescing binaries of compact objects, such as black holes and neutron stars, are the primary targets for gravitational-wave (GW) detection with Advanced LIGO. Accurate modeling of the emitted GWs is required to extract information about the binary source. The most accurate solution to the general relativistic two-body problem is available in numerical relativity (NR), which is however limited in application due to computational cost. Current searches use semi-analytic models that are based in post-Newtonian (PN) theory and calibrated to NR. In this talk, I will present comparisons between contemporary models and high-accuracy numerical simulations performed using the Spectral Einstein Code (SpEC), focusing at the questions: (i) How well do models capture binary's late-inspiral where they lack a-priori accurate information from PN or NR, and (ii) How accurately do they model binaries with parameters outside their range of calibration. These results guide the choice of templates for future GW searches, and motivate future modeling efforts.

DIRECT N-BODY MODELING OF THE OLD OPEN CLUSTER NGC 188: A DETAILED COMPARISON OF THEORETICAL AND OBSERVED BINARY STAR AND BLUE STRAGGLER POPULATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Geller, Aaron M.; Hurley, Jarrod R.; Mathieu, Robert D., E-mail: a-geller@northwestern.edu, E-mail: mathieu@astro.wisc.edu, E-mail: jhurley@astro.swin.edu.au

2013-01-01

Following on from a recently completed radial-velocity survey of the old (7 Gyr) open cluster NGC 188 in which we studied in detail the solar-type hard binaries and blue stragglers of the cluster, here we investigate the dynamical evolution of NGC 188 through a sophisticated N-body model. Importantly, we employ the observed binary properties of the young (180 Myr) open cluster M35, where possible, to guide our choices for parameters of the initial binary population. We apply pre-main-sequence tidal circularization and a substantial increase to the main-sequence tidal circularization rate, both of which are necessary to match the observed tidalmore » circularization periods in the literature, including that of NGC 188. At 7 Gyr the main-sequence solar-type hard-binary population in the model matches that of NGC 188 in both binary frequency and distributions of orbital parameters. This agreement between the model and observations is in a large part due to the similarities between the NGC 188 and M35 solar-type binaries. Indeed, among the 7 Gyr main-sequence binaries in the model, only those with P {approx}> 1000 days begin to show potentially observable evidence for modifications by dynamical encounters, even after 7 Gyr of evolution within the star cluster. This emphasizes the importance of defining accurate initial conditions for star cluster models, which we propose is best accomplished through comparisons with observations of young open clusters like M35. Furthermore, this finding suggests that observations of the present-day binaries in even old open clusters can provide valuable information on their primordial binary populations. However, despite the model's success at matching the observed solar-type main-sequence population, the model underproduces blue stragglers and produces an overabundance of long-period circular main-sequence-white-dwarf binaries as compared with the true cluster. We explore several potential solutions to the paucity of blue stragglers and conclude that the model dramatically underproduces blue stragglers through mass-transfer processes. We suggest that common-envelope evolution may have been incorrectly imposed on the progenitors of the spurious long-period circular main-sequence-white-dwarf binaries, which perhaps instead should have gone through stable mass transfer to create blue stragglers, thereby bringing both the number and binary frequency of the blue straggler population in the model into agreement with the true blue stragglers in NGC 188. Thus, improvements in the physics of mass transfer and common-envelope evolution employed in the model may in fact solve both discrepancies with the observations. This project highlights the unique accessibility of open clusters to both comprehensive observational surveys and full-scale N-body simulations, both of which have only recently matured sufficiently to enable such a project, and underscores the importance of open clusters to the study of star cluster dynamics.« less

Liquidus Projections of Bi-Se-Ga and Bi-Se-Te Ternary Systems

NASA Astrophysics Data System (ADS)

Lin, Po-han; Chen, Sinn-wen; Hwang, Jenn-dong; Chu, Hsu-shen

2016-12-01

This study determines the liquidus projections of both Bi-Se-Ga and Bi-Se-Te ternary systems which are constituent ternary systems of promising Bi-Se-Te-Ga thermoelectric materials. Ternary Bi-Se-Ga and Bi-Se-Te alloys are prepared. Their primary solidification phases are experimentally determined, and thermal analysis experiments are carried out. The liquidus projections are determined based on the ternary experimental results and phase diagrams of constituent binary systems. The Bi-Se-Ga system includes seven primary solidification phases, Bi, Ga, GaSe, Ga2Se3, Se, Bi2Se3, and (Bi2)n(Bi2Se3)m. In the Bi-Se-Te system, there are five primary solidification phases, Bi, (Bi2)n(Bi2Te3)m, Bi2(Se,Te)3, (Se,Te), and (Bi2)n(Bi2Se3)m. Both the (Bi2)n(Bi2Te3)m and (Bi2)n(Bi2Se3)m phases are not a single phase, but a collection of series undetermined phases. Large miscibility gaps are observed in the Bi-Se-Ga system. The temperatures of the invariant reactions, Liquid + Bi + GaSe = Ga and Liquid + Ga2Se3 = Bi + GaSe, are at 495 K (222 °C) and 533 K (260 °C), respectively.

Enhanced in vivo absorption of CB-1 antagonist in rats via solid solutions prepared by hot-melt extrusion.

PubMed

Ranzani, L S; Font, J; Galimany, F; Santanach, A; Gomez-Gomar, A M; Casadevall, G; Gryczke, A

2011-06-01

The aim of the present work was to investigate in vitro dissolution properties of three binary solid solutions prepared by a hot-melt extrusion (HME) process with vinyl pirrolidone--vinyl acetate copolymer (Kollidon VA 64), ethyl acrylate, methyl methacrylate polymer (Eudragit E) polyetilenglicol 8000 (PEG 8000) with a cannabinoid type 1 (CB-1) antagonist. Hansen solubility parameters were calculated from the chemical structures of the drug and the individual polymers in order to predict miscibility. Solid state characterizations of drug substance, physical blends and HME formulations were performed with differential scanning calorimetry. The dissolution testing conducted under sink conditions revealed that the dissolution rate of HME formulations improved around 1.8-fold vs drug substance. Supersaturation dissolution study demonstrated that HME formulations composed by Eudragit E and Kollidon VA64 increased drug solubility between 30- and 35-fold, respectively comparing to the drug substance. Physical and chemical stability of formulations were studied at 40°C/75%HR with open dish during 15 days. The formulation composed by the drug and Eudragit E at 10:90 was evaluated for in vivo drug absorption in male Wistar-Hannover rats and it was found to increase CB-1 absorption threefold greater than pure drug oral suspension.

Research on odor interaction between aldehyde compounds via a partial differential equation (PDE) model.

PubMed

Yan, Luchun; Liu, Jiemin; Qu, Chen; Gu, Xingye; Zhao, Xia

2015-01-28

In order to explore the odor interaction of binary odor mixtures, a series of odor intensity evaluation tests were performed using both individual components and binary mixtures of aldehydes. Based on the linear relation between the logarithm of odor activity value and odor intensity of individual substances, the relationship between concentrations of individual constituents and their joint odor intensity was investigated by employing a partial differential equation (PDE) model. The obtained results showed that the binary odor interaction was mainly influenced by the mixing ratio of two constituents, but not the concentration level of an odor sample. Besides, an extended PDE model was also proposed on the basis of the above experiments. Through a series of odor intensity matching tests for several different binary odor mixtures, the extended PDE model was proved effective at odor intensity prediction. Furthermore, odorants of the same chemical group and similar odor type exhibited similar characteristics in the binary odor interaction. The overall results suggested that the PDE model is a more interpretable way of demonstrating the odor interactions of binary odor mixtures.

Constraining Roche-Lobe Overflow Models Using the Hot-Subdwarf Wide Binary Population

NASA Astrophysics Data System (ADS)

Vos, Joris; Vučković, Maja

2017-12-01

One of the important issues regarding the final evolution of stars is the impact of binarity. A rich zoo of peculiar, evolved objects are born from the interaction between the loosely bound envelope of a giant, and the gravitational pull of a companion. However, binary interactions are not understood from first principles, and the theoretical models are subject to many assumptions. It is currently agreed upon that hot subdwarf stars can only be formed through binary interaction, either through common envelope ejection or stable Roche-lobe overflow (RLOF) near the tip of the red giant branch (RGB). These systems are therefore an ideal testing ground for binary interaction models. With our long term study of wide hot subdwarf (sdB) binaries we aim to improve our current understanding of stable RLOF on the RGB by comparing the results of binary population synthesis studies with the observed population. In this article we describe the current model and possible improvements, and which observables can be used to test different parts of the interaction model.

Close binary systems among very low-mass stars and brown dwarfs

NASA Astrophysics Data System (ADS)

Jeffries, R. D.; Maxted, P. F. L.

2005-12-01

Using Monte Carlo simulations and published radial velocity surveys we have constrained the frequency and separation (a) distribution of very low-mass star (VLM) and brown dwarf (BD) binary systems. We find that simple Gaussian extensions of the observed wide binary distribution, with a peak at 4 AU and 0.6<\\sigma_{\\log(a/AU)}<1.0, correctly reproduce the observed number of close binary systems, implying a close (a<2.6 AU) binary frequency of 17-30 % and overall frequency of 32-45 %. N-body models of the dynamical decay of unstable protostellar multiple systems are excluded with high confidence because they do not produce enough close binary VLMs/BDs. The large number of close binaries and high overall binary frequency are also completely inconsistent with published smoothed particle hydrodynamical modelling and argue against a dynamical origin for VLMs/BDs.

Comparison of two gas chromatograph models and analysis of binary data

NASA Technical Reports Server (NTRS)

Keba, P. S.; Woodrow, P. T.

1972-01-01

The overall objective of the gas chromatograph system studies is to generate fundamental design criteria and techniques to be used in the optimum design of the system. The particular tasks currently being undertaken are the comparison of two mathematical models of the chromatograph and the analysis of binary system data. The predictions of two mathematical models, an equilibrium absorption model and a non-equilibrium absorption model exhibit the same weaknesses in their inability to predict chromatogram spreading for certain systems. The analysis of binary data using the equilibrium absorption model confirms that, for the systems considered, superposition of predicted single component behaviors is a first order representation of actual binary data. Composition effects produce non-idealities which limit the rigorous validity of superposition.

Mono-component versus binary isotherm models for Cu(II) and Pb(II) sorption from binary metal solution by the green alga Pithophora oedogonia.

PubMed

Kumar, Dhananjay; Singh, Alpana; Gaur, J P

2008-11-01

The sorption of Cu(II) and Pb(II) by Pithophora markedly decreased as the concentration of the secondary metal ion, Cu(II) or Pb(II), increased in the binary metal solution. However, the test alga showed a greater affinity to sorb Cu(II) than Pb(II) from the binary metal solution. Mono-component Freundlich, Langmuir, Redlich-Peterson and Sips isotherms successfully predicted the sorption of Cu(II) and Pb(II) from both single and binary metal solutions. None of the tested binary sorption isotherms could realistically predict Cu(II) and Pb(II) sorption capacity and affinity of the test alga for the binary metal solutions of varying composition, which mono-component isotherms could very well accomplish. Hence, mono-component isotherm modeling at different concentrations of the secondary metal ion seems to be a better option than binary isotherms for metal sorption from binary metal solution.

Constraining Accreting Binary Populations in Normal Galaxies

NASA Astrophysics Data System (ADS)

Lehmer, Bret; Hornschemeier, A.; Basu-Zych, A.; Fragos, T.; Jenkins, L.; Kalogera, V.; Ptak, A.; Tzanavaris, P.; Zezas, A.

2011-01-01

X-ray emission from accreting binary systems (X-ray binaries) uniquely probe the binary phase of stellar evolution and the formation of compact objects such as neutron stars and black holes. A detailed understanding of X-ray binary systems is needed to provide physical insight into the formation and evolution of the stars involved, as well as the demographics of interesting binary remnants, such as millisecond pulsars and gravitational wave sources. Our program makes wide use of Chandra observations and complementary multiwavelength data sets (through, e.g., the Spitzer Infrared Nearby Galaxies Survey [SINGS] and the Great Observatories Origins Deep Survey [GOODS]), as well as super-computing facilities, to provide: (1) improved calibrations for correlations between X-ray binary emission and physical properties (e.g., star-formation rate and stellar mass) for galaxies in the local Universe; (2) new physical constraints on accreting binary processes (e.g., common-envelope phase and mass transfer) through the fitting of X-ray binary synthesis models to observed local galaxy X-ray binary luminosity functions; (3) observational and model constraints on the X-ray evolution of normal galaxies over the last 90% of cosmic history (since z 4) from the Chandra Deep Field surveys and accreting binary synthesis models; and (4) predictions for deeper observations from forthcoming generations of X-ray telesopes (e.g., IXO, WFXT, and Gen-X) to provide a science driver for these missions. In this talk, we highlight the details of our program and discuss recent results.

CL-20/DNB co-crystal based PBX with PEG: molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Zhang, Jiang; Gao, Pei; Xiao, Ji Jun; Zhao, Feng; Xiao, He Ming

2016-12-01

Molecular dynamics simulation was carried out for CL-20/DNB co-crystal based PBX (polymer-bonded explosive) blended with polymer PEG (polyethylene glycol). In this paper, the miscibility of the PBX models is investigated through the calculated binding energy. Pair correlation function (PCF) analysis is applied to study the interaction of the interface structures in the PBX models. The mechanical properties of PBXs are also discussed to understand the change of the mechanical properties after adding the polymer. Moreover, the calculated diffusion coefficients of the interfacial explosive molecules are used to discuss the dispersal ability of CL-20 and DNB molecules in the interface layer.

Variance in binary stellar population synthesis

NASA Astrophysics Data System (ADS)

Breivik, Katelyn; Larson, Shane L.

2016-03-01

In the years preceding LISA, Milky Way compact binary population simulations can be used to inform the science capabilities of the mission. Galactic population simulation efforts generally focus on high fidelity models that require extensive computational power to produce a single simulated population for each model. Each simulated population represents an incomplete sample of the functions governing compact binary evolution, thus introducing variance from one simulation to another. We present a rapid Monte Carlo population simulation technique that can simulate thousands of populations in less than a week, thus allowing a full exploration of the variance associated with a binary stellar evolution model.

Studying Variance in the Galactic Ultra-compact Binary Population

NASA Astrophysics Data System (ADS)

Larson, Shane L.; Breivik, Katelyn

2017-01-01

In the years preceding LISA, Milky Way compact binary population simulations can be used to inform the science capabilities of the mission. Galactic population simulation efforts generally focus on high fidelity models that require extensive computational power to produce a single simulated population for each model. Each simulated population represents an incomplete sample of the functions governing compact binary evolution, thus introducing variance from one simulation to another. We present a rapid Monte Carlo population simulation technique that can simulate thousands of populations on week-long timescales, thus allowing a full exploration of the variance associated with a binary stellar evolution model.

SHAPING THE BROWN DWARF DESERT: PREDICTING THE PRIMORDIAL BROWN DWARF BINARY DISTRIBUTIONS FROM TURBULENT FRAGMENTATION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jumper, Peter H.; Fisher, Robert T., E-mail: robert.fisher@umassd.edu

2013-05-20

The formation of brown dwarfs (BDs) poses a key challenge to star formation theory. The observed dearth of nearby ({<=}5 AU) BD companions to solar mass stars, known as the BD desert, as well as the tendency for low-mass binary systems to be more tightly bound than stellar binaries, has been cited as evidence for distinct formation mechanisms for BDs and stars. In this paper, we explore the implications of the minimal hypothesis that BDs in binary systems originate via the same fundamental fragmentation mechanism as stars, within isolated, turbulent giant molecular cloud cores. We demonstrate analytically that the scalingmore » of specific angular momentum with turbulent core mass naturally gives rise to the BD desert, as well as wide BD binary systems. Further, we show that the turbulent core fragmentation model also naturally predicts that very low mass binary and BD/BD systems are more tightly bound than stellar systems. In addition, in order to capture the stochastic variation intrinsic to turbulence, we generate 10{sup 4} model turbulent cores with synthetic turbulent velocity fields to show that the turbulent fragmentation model accommodates a small fraction of binary BDs with wide separations, similar to observations. Indeed, the picture which emerges from the turbulent fragmentation model is that a single fragmentation mechanism may largely shape both stellar and BD binary distributions during formation.« less

Composition-dependent damping and relaxation dynamics in miscible polymer blends above glass transition temperature by anelastic spectroscopy

NASA Astrophysics Data System (ADS)

Wu, Xuebang; Shang, Shuying; Xu, Qiaoling; Liu, Changsong; Zhu, Zhengang; Zhang, Guangzhao

2008-07-01

Anelastic spectroscopy is used to study the composition dependence of the damping and molecular relaxation dynamics in miscible poly(ethylene oxide) (PEO)/poly(methyl methacrylate) (PMMA) blends above the glass transition temperature. The ultrahigh damping peak of the relaxation type is shown to be associated with the liquid-liquid transition of PMMA. A higher PEO concentration leads to a higher damping performance and a lower transition temperature. The decreasing activation energy with increasing PEO concentration indicates a drastic increase in molecular mobility. Moreover, the relaxation time reveals a transition from the Vogel-Fulcher-Tamman behavior to the Arrhenius behavior due to the intermolecular guest-host interactions.

Solvent for urethane adhesives and coatings and method of use

DOEpatents

Simandl, Ronald F.; Brown, John D.; Holt, Jerrid S.

2010-08-03

A solvent for urethane adhesives and coatings, the solvent having a carbaldehyde and a cyclic amide as constituents. In some embodiments the solvent consists only of miscible constituents. In some embodiments the carbaldehyde is benzaldehyde and in some embodiments the cyclic amide is N-methylpyrrolidone (M-pyrole). An extender may be added to the solvent. In some embodiments the extender is miscible with the other ingredients, and in some embodiments the extender is non-aqueous. For example, the extender may include isopropanol, ethanol, tetrahydro furfuryl alcohol, benzyl alcohol, Gamma-butyrolactone or a caprolactone. In some embodiments a carbaldehyde and a cyclic amide are heated and used to separate a urethane bonded to a component.

Molecular Probe Fluorescence Monitoring of Polymerization

NASA Technical Reports Server (NTRS)

Bunton, Patrick

2002-01-01

This project investigated the feasibility of using fluorescence spectroscopy to determine viscosity of polymer/monomer in support of Transient Interfacial Phenomena in Miscible Polymer Systems (TIPMPS). This project will attempt to measure gradient induced flow at a miscible interface during and / or after in-flight polymerization of dodecyl acrylate (lauryl acrylate). Concentration and temperature gradients will be intentionally introduced during polymerization and the resultant fluid flow determined by Particle Imaging Velocimetry (PIV). This report describes an investigation of the feasibility of using fluorescence of a probe molecule to monitor viscosity and/or concentration during and after polymerization. The probe used was pyrene which has been shown to be sensitive to its local environment in methyl methacrylate.

Integrated Reservoir Modeling of CO2-EOR Performance and Storage Potential in the Farnsworth Field Unit, Texas.

NASA Astrophysics Data System (ADS)

Ampomah, W.; Balch, R. S.; Cather, M.; Dai, Z.

2017-12-01

We present a performance assessment methodology and storage potential for CO2 enhanced oil recovery (EOR) in partially depleted reservoirs. A three dimensional heterogeneous reservoir model was developed based on geological, geophysics and engineering data from Farnsworth field Unit (FWU). The model aided in improved characterization of prominent rock properties within the Pennsylvanian aged Morrow sandstone reservoir. Seismic attributes illuminated previously unknown faults and structural elements within the field. A laboratory fluid analysis was tuned to an equation of state and subsequently used to predict the thermodynamic minimum miscible pressure (MMP). Datasets including net-to-gross ratio, volume of shale, permeability, and burial history were used to model initial fault transmissibility based on Sperivick model. An improved history match of primary and secondary recovery was performed to set the basis for a CO2 flood study. The performance of the current CO2 miscible flood patterns was subsequently calibrated to historical production and injection data. Several prediction models were constructed to study the effect of recycling, addition of wells and /or new patterns, water alternating gas (WAG) cycles and optimum amount of CO2 purchase on incremental oil production and CO2 storage in the FWU. The history matching study successfully validated the presence of the previously undetected faults within FWU that were seen in the seismic survey. The analysis of the various prediction scenarios showed that recycling a high percentage of produced gas, addition of new wells and a gradual reduction in CO2 purchase after several years of operation would be the best approach to ensure a high percentage of recoverable incremental oil and sequestration of anthropogenic CO2 within the Morrow reservoir. Larger percentage of stored CO2 were dissolved in residual oil and less amount existed as supercritical free CO2. The geomechanical analysis on the caprock proved to an excellent seal to ensure long-term security of injected CO2.

Shapes and dynamics of miscible liquid/liquid interfaces in horizontal capillary tubes.

PubMed

Stevar, M S P; Vorobev, A

2012-10-01

We report optical observations of the dissolution behaviour of glycerol/water, soybean oil/hexane, and isobutyric acid (IBA)/water binary mixtures within horizontal capillary tubes. Tubes with diameters as small as 0.2mm were initially filled with one component of the binary mixture (solute) and then immersed into a solvent-filled thermostatic bath. Both ends of the tubes were open, and no pressure difference was applied between the ends. In the case of glycerol/water and soybean oil/hexane mixtures, we managed to isolate the dissolution (the interfacial mass transfer) from the hydrodynamic motion. Two phase boundaries moving from the ends into the middle section of the tube with the speeds v∼D(1/3)t(-2/3)d(2) (D,t and d are the coefficient of diffusion, time and the diameter of the tube, respectively) were observed. The boundaries slowly smeared but their smearing occurred considerably slower than their motion. The motion of the phase boundaries cannot be explained by the dependency of the diffusion coefficient on concentration, and should be explained by the effect of barodiffusion. The shapes of the solute/solvent boundaries are defined by the balance between gravity and surface tension effects. The contact line moved together with the bulk interface: no visible solute remained on the walls after the interface passage. Changes in temperature and in the ratio between gravity and capillary forces altered the apparent contact angles. The IBA/water system had different behaviour. Below the critical (consolute) point, no dissolution was observed: IBA and water behaved like two immiscible liquids, with the IBA phase being displaced from the tube by capillary pressure (the spontaneous imbibition process). Above the critical point, two IBA/water interfaces could be identified, however the interfaces did not penetrate much into the tube. Copyright © 2012 Elsevier Inc. All rights reserved.

Bayesian inference for unidirectional misclassification of a binary response trait.

PubMed

Xia, Michelle; Gustafson, Paul

2018-03-15

When assessing association between a binary trait and some covariates, the binary response may be subject to unidirectional misclassification. Unidirectional misclassification can occur when revealing a particular level of the trait is associated with a type of cost, such as a social desirability or financial cost. The feasibility of addressing misclassification is commonly obscured by model identification issues. The current paper attempts to study the efficacy of inference when the binary response variable is subject to unidirectional misclassification. From a theoretical perspective, we demonstrate that the key model parameters possess identifiability, except for the case with a single binary covariate. From a practical standpoint, the logistic model with quantitative covariates can be weakly identified, in the sense that the Fisher information matrix may be near singular. This can make learning some parameters difficult under certain parameter settings, even with quite large samples. In other cases, the stronger identification enables the model to provide more effective adjustment for unidirectional misclassification. An extension to the Poisson approximation of the binomial model reveals the identifiability of the Poisson and zero-inflated Poisson models. For fully identified models, the proposed method adjusts for misclassification based on learning from data. For binary models where there is difficulty in identification, the method is useful for sensitivity analyses on the potential impact from unidirectional misclassification. Copyright © 2017 John Wiley & Sons, Ltd.

Entanglement Dynamics in Miscible Polyisoprene / Poly(p-tert-butyl styrene) Blends

NASA Astrophysics Data System (ADS)

Watanabe, Hiroshi

2011-03-01

Viscoelastic and dielectric behavior was examined for well entangled, miscible blends of high- M cis-polyisoprene (PI) and poly(p-tert-butyl styrene) (PtBS). The dielectric data of the blends, reflecting the global motion of the PI chains having the type-A dipoles, indicated that PI and PtBS were the fast and slow components therein. At high temperatures T , the blends exhibited two-step entanglement plateau. The high frequency (ω) plateau height was well described by a simple mixing rule of the entanglement length based on the number fraction of the Kuhn segments. At low T , the blend exhibited the Rouse-like power-law behavior of storage and loss moduli, G ' = G ~ω0.5 , in the range of ω where the high- ω plateau was supposed to emerge. This lack of the high- ω plateau was attributed to retardation of the Rouse equilibration of the PI chain over the entanglement length due to the hindrance from the slow PtBS chains: The PI and PtBS chains were equilibrated cooperatively, and the retardation due to PtBS shortened the plateau for PI to a width not resolved experimentally. A simple model for this cooperative equilibration formulated on the basis of the dielectric data described the viscoelastic data surprisingly well.

Stabilization of miscible viscous fingering by a step-growth polymerization reaction

NASA Astrophysics Data System (ADS)

Bunton, Patrick; Stewart, Simone; Marin, Daniela; Tullier, Michael; Meiburg, Eckart; Pojman, John

2017-11-01

Viscous fingering is a hydrodynamic instability that occurs when a more mobile fluid displaces a fluid of lower mobility. Viscous fingering is often undesirable in industrial processes such as secondary petroleum recovery where it limits resource recovery. Linear stability analysis by Hejazi et al. (2010) has predicted that a non-monotonic viscosity profile at an otherwise unstable interface can in some instances stabilize the flow. We use step-growth polymerization at the interface between two miscible monomers as a model system. A dithiol monomer displacing a diacrylate react to form a linear polymer that behaves as a Newtonian fluid. Viscous fingering was imaged in a horizontal Hele-Shaw cell via Schlieren, which is sensitive to polymer conversion. By varying reaction rate via initiator concentration along with flow rate, we demonstrated increasing stabilization of the flow with increasing Damkohler number (ratio of the reaction rate to the flow rate). Results were compared with regions of predicted stability from the results of Hejazi et al. (2010). When the advection outran the reaction, viscous fingering occurred as usual. However, when the reaction was able to keep pace with the advection, the increased viscosity at the interface stabilized the flow. We acknowledge support from NSF CBET-1335739 and NSF CBET 1511653.

Effects of G-Jitter on Interfacial Dynamics of Two Miscible Liquids: Application of MIM

NASA Technical Reports Server (NTRS)

Duval, Walter M. B.; Tryggvason, Bjarni V.

2000-01-01

We designed an experiment to examine the effects of g-jitter on mixing of two miscible liquids using the Microgravity Vibration Isolation Mount (MIM). The global bifurcation of the interface was observed with the MIM operating alternatively to either transmit the g-jitter, isolate from the g-jitter or to provide controlled vibration levels with well defined amplitude and frequency content. With the MIM in isolation mode, the interface remains stationary indicating buoyancy induced convection is negligibly small such that mixing occurs via intrinsic mass diffusion without the masking effect of vibration driven convection. Analytical and computational results are in agreement with the experimental findings. Operation of the MIM in forced mode with conditions typical of g-jitter shows that vibration induced convective flows can excite instability mechanisms such as Kelvin-Helmholtz to generate large amplitude quasi-stationary waves oriented vertically for various cases with Stokes-Reynolds number in the range of 0.003 to 0.5. The two and four mode quasi-stationary waves are also predicted with a mathematical model. Though unplanned, the effect of a primary thruster filing was captured and shown to cause a catastrophic bifurcation, enhancing local mass transport. In light of the findings, experiments planned for the International Space Station should consider the potential effects of g-jitter.

Linear stability analysis and nonlinear simulation of the channeling effect on viscous fingering instability in miscible displacement

NASA Astrophysics Data System (ADS)

Shahnazari, M. R.; Maleka Ashtiani, I.; Saberi, A.

2018-03-01

In this paper, the effect of channeling on viscous fingering instability of miscible displacement in porous media is studied. In fact, channeling is introduced as a solution to stabilize the viscous fingering instability. In this solution, narrow channels were placed next to the walls, and by considering an exponential function to model the channeling effect, a heterogeneous media is assumed. In linear stability analysis, the governing equations are transferred to Fourier space, and by introducing a novel numerical method, the transferred equations are analyzed. The growth rate based on the wave number diagram has been drawn up in three sections of the medium. It is found that the flow becomes more stable at the center and unstable along the walls when the permeability ratio is increased. Also when the permeability ratio is approximately equal to one, the channeling has no significant effect. In nonlinear simulations, by using stream function and vortices, new equations have been rewritten and it is shown that channeling has a profound effect on the growth of the fingers and mechanisms. In addition to the superposition of velocity vectors and concentration contours, the development of instability is investigated using the mixing length and sweep efficiency diagram. The results show that although channeling reduces instability, it increases the displacement process time.

Forecast Modelling via Variations in Binary Image-Encoded Information Exploited by Deep Learning Neural Networks.

PubMed

Liu, Da; Xu, Ming; Niu, Dongxiao; Wang, Shoukai; Liang, Sai

2016-01-01

Traditional forecasting models fit a function approximation from dependent invariables to independent variables. However, they usually get into trouble when date are presented in various formats, such as text, voice and image. This study proposes a novel image-encoded forecasting method that input and output binary digital two-dimensional (2D) images are transformed from decimal data. Omitting any data analysis or cleansing steps for simplicity, all raw variables were selected and converted to binary digital images as the input of a deep learning model, convolutional neural network (CNN). Using shared weights, pooling and multiple-layer back-propagation techniques, the CNN was adopted to locate the nexus among variations in local binary digital images. Due to the computing capability that was originally developed for binary digital bitmap manipulation, this model has significant potential for forecasting with vast volume of data. The model was validated by a power loads predicting dataset from the Global Energy Forecasting Competition 2012.

Forecast Modelling via Variations in Binary Image-Encoded Information Exploited by Deep Learning Neural Networks

PubMed Central

Xu, Ming; Niu, Dongxiao; Wang, Shoukai; Liang, Sai

2016-01-01

Traditional forecasting models fit a function approximation from dependent invariables to independent variables. However, they usually get into trouble when date are presented in various formats, such as text, voice and image. This study proposes a novel image-encoded forecasting method that input and output binary digital two-dimensional (2D) images are transformed from decimal data. Omitting any data analysis or cleansing steps for simplicity, all raw variables were selected and converted to binary digital images as the input of a deep learning model, convolutional neural network (CNN). Using shared weights, pooling and multiple-layer back-propagation techniques, the CNN was adopted to locate the nexus among variations in local binary digital images. Due to the computing capability that was originally developed for binary digital bitmap manipulation, this model has significant potential for forecasting with vast volume of data. The model was validated by a power loads predicting dataset from the Global Energy Forecasting Competition 2012. PMID:27281032

Entanglement Length in Miscible Blends of cis-Polyisoprene and Poly(ptert-butylstyrene)

NASA Astrophysics Data System (ADS)

Watanabe, Hiroshi; Matsumiya, Yumi

In miscible polymer blends, the entanglement length is common for the components, but its changes with the composition w remain unclear. For this problem, this study analyzed viscoelastic data for miscible blends of cis-polyisoprene (PI) and poly(ptert-butylstyrene) (PtBS), considering the basic feature that the local relaxation is determined only by wPI. On the basis of this feature, a series of unentangled low- M PI/PtBS blends having various M and a given wPI were utilized as references for well-entangled high- M PI/PtBS blends having the same wPI, and the modulus data of the references were subtracted from the high- M blend data. For an optimally chosen reference, the storage modulus Ge'of the high- M blends obtained after the subtraction exhibited a clear entanglement plateau GN and the corresponding Ge' ' decreased in proportion to 1/ ω at high frequencies ω. Thus, the onset of entanglement relaxation was detected. The GN values were well described by a linear mixing rule of the entanglement length with the number fraction of Kuhn segments of the components being utilized as the averaging weight. This result, not explained by a mean-field picture of entanglement, is discussed in relation to local packing of bulky PtBS chains and skinny PI chains.

Ionic liquid compatibility in polyethylene oxide/siloxane ion gel membranes

DOE PAGES

Kusuma, Victor A.; Macala, Megan K.; Liu, Jian; ...

2018-10-02

Ion gel films were prepared by incorporating eight commercially available ionic liquids in two different cross-linked polymer matrices to evaluate their phase miscibility, gas permeability and ionic conductivity for potential applications as gas separation membranes and solid electrolyte materials. The ionic liquids cations were 1-ethyl-3-methylimidazolium, 1-ethyl-3-methylpyridinium, 1-butyl-1-methylpyrrolidinium, tributylmethylphosphonium, and butyltrimethylammonium with a common anion (bis(trifluoromethylsulfonyl)imide). In addition, ionic liquids with 1-ethyl-3-methylimidazolium cation with acetate, dicyanamide and tetrafluoroborate counterions were evaluated. The two polymers were cross-linked poly(ethylene oxide) and cross-linked poly(ethylene oxide)/siloxane copolymer. Differential scanning calorimetry, X-ray diffractometry and visual observations were performed to evaluate the ion gels’ miscibility, thermal stabilitymore » and homogeneity. Ionic liquids with the least basic anion (bis(trifluoromethylsulfonyl)imide) and aromatic cations containing acidic proton (e.g. imidazolium and pyridinium) gave the most stable and miscible ion gels. Phase stability was shown to be a function of both ionic liquid content and temperature, with phase separation observed at elevated temperatures. In conclusion, gas permeability testing with carbon dioxide and nitrogen and ionic conductivity measurements confirmed that these ionic liquids increased the gas permeability and ionic conductivity of the polymers.« less

Ionic liquid compatibility in polyethylene oxide/siloxane ion gel membranes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kusuma, Victor A.; Macala, Megan K.; Liu, Jian

Ion gel films were prepared by incorporating eight commercially available ionic liquids in two different cross-linked polymer matrices to evaluate their phase miscibility, gas permeability and ionic conductivity for potential applications as gas separation membranes and solid electrolyte materials. The ionic liquids cations were 1-ethyl-3-methylimidazolium, 1-ethyl-3-methylpyridinium, 1-butyl-1-methylpyrrolidinium, tributylmethylphosphonium, and butyltrimethylammonium with a common anion (bis(trifluoromethylsulfonyl)imide). In addition, ionic liquids with 1-ethyl-3-methylimidazolium cation with acetate, dicyanamide and tetrafluoroborate counterions were evaluated. The two polymers were cross-linked poly(ethylene oxide) and cross-linked poly(ethylene oxide)/siloxane copolymer. Differential scanning calorimetry, X-ray diffractometry and visual observations were performed to evaluate the ion gels’ miscibility, thermal stabilitymore » and homogeneity. Ionic liquids with the least basic anion (bis(trifluoromethylsulfonyl)imide) and aromatic cations containing acidic proton (e.g. imidazolium and pyridinium) gave the most stable and miscible ion gels. Phase stability was shown to be a function of both ionic liquid content and temperature, with phase separation observed at elevated temperatures. In conclusion, gas permeability testing with carbon dioxide and nitrogen and ionic conductivity measurements confirmed that these ionic liquids increased the gas permeability and ionic conductivity of the polymers.« less

The Dynamics of Miscible Fluids: A Space Flight Experiment (MIDAS)

NASA Technical Reports Server (NTRS)

Maxworthy, T.; Meiburg, E.; Balasubramaniam, R.; Rashidnia, N.; Lauver, R.

2001-01-01

We propose a space flight experiment to study the dynamics of miscible interfaces. A less viscous fluid displaces one of higher viscosity within a tube. The two fluids are miscible in all proportions. An intruding "finger" forms that occupies a fraction of the tube. As time progresses diffusion at the interface combined with flow induced straining between the two fluids modifies the concentration and velocity distributions within the whole tube. Also, under such circumstances it has been proposed that the interfacial stresses could depend on the local concentration gradients (Korteweg stresses) and that the divergence of the velocity need not be zero, even though the flow is incompressible. We have obtained reasonable agreement for the tip velocity between numerical simulations (that ignored the Korteweg stress and divergence effects) and physical experiments only at high Peelet Numbers. However at moderate to low Pe agreement was poor. As one possibility we attributed this lack of agreement to the disregard of these effects. We propose a space experiment to measure the finger shape, tip velocity, and the velocity and concentration fields. From intercomparisons between the experiment and the calculations we can then extract values for the coefficients of the Korteweg stress terms and confirm or deny the importance of these stresses.

The Dynamics of Miscible Fluids: A Space Flight Experiment (MIDAS)

NASA Technical Reports Server (NTRS)

Maxworthy, T.; Meiburg, E.; Balasubramaniam, R.; Rashidnia, N.; Lauver, R.

2001-01-01

We propose a space flight experiment to study the dynamics of miscible interfaces. A less viscous fluid displaces one of higher viscosity within a tube. The two fluids are miscible in all proportions. An intruding "finger" forms that occupies a fraction of the tube. As time progresses diffusion at the interface combined with flow induced straining between the two fluids modifies the concentration and velocity distributions within the whole tube. Also, under such circumstances it has been proposed that the interfacial stresses could depend on the local concentration gradients (Korteweg stresses) and that the divergence of the velocity need not be zero, even though the flow is incompressible. We have obtained reasonable agreement for the tip velocity between numerical simulations (that ignored the Korteweg stress and divergence effects) and physical experiments only at high Peclet Numbers. However at moderate to low Pe agreement was poor. As one possibility we attributed this lack of agreement to the disregard of these effects. We propose a space experiment to measure the finger shape, tip velocity, and the velocity and concentration fields. From intercomparisons between the experiment and the calculations we can then extract values for the coefficients of the Korteweg stress terms and confirm or deny the importance of these stresses.

Three-dimensional Rayleigh-Taylor convection of miscible fluids in a porous medium

NASA Astrophysics Data System (ADS)

Suekane, Tetsuya; Nakanishi, Yuji; Wang, Lei

2017-11-01

Natural convection of miscible fluids in a porous medium is relevant for fields, such as geoscience and geoengineering, and for the geological storage of CO2. In this study, we use X-ray computer tomography to visualize 3D fingering structures associated with the Rayleigh-Taylor instability between miscible fluids in a porous medium. In the early stages of the onset of the Rayleigh-Taylor instability, a fine crinkling pattern gradually appears at the interface. As the wavelength and amplitude increase, descending fingers form on the interface and extend vertically downward; moreover, ascending and highly symmetric fingers form. The adjacent fingers are cylindrical in shape and coalesce to form large fingers. Fingers appearing on the interface tend to become finer with increasing Rayleigh number, which is consistent with linear perturbation theory. If the Péclet number exceeds 10, the transverse dispersion increases the finger diameter and enhances finger coalescence, strongly impacting the decay in finger number density. When mechanical dispersion is negligible, the finger-extension velocity, the mass-transfer rate, and the onset time scale with Rayleigh number. Mechanical dispersion not only reduces the onset time but also enhances mass transport, which indicates that mechanical dispersion influences the long-term dissolution process of CO2 injected into aquifers.

R144: a very massive binary likely ejected from R136 through a binary-binary encounter

NASA Astrophysics Data System (ADS)

Oh, Seungkyung; Kroupa, Pavel; Banerjee, Sambaran

2014-02-01

R144 is a recently confirmed very massive, spectroscopic binary which appears isolated from the core of the massive young star cluster R136. The dynamical ejection hypothesis as an origin for its location is claimed improbable by Sana et al. due to its binary nature and high mass. We demonstrate here by means of direct N-body calculations that a very massive binary system can be readily dynamically ejected from an R136-like cluster, through a close encounter with a very massive system. One out of four N-body cluster models produces a dynamically ejected very massive binary system with a mass comparable to R144. The system has a system mass of ≈355 M⊙ and is located at 36.8 pc from the centre of its parent cluster, moving away from the cluster with a velocity of 57 km s-1 at 2 Myr as a result of a binary-binary interaction. This implies that R144 could have been ejected from R136 through a strong encounter with another massive binary or single star. In addition, we discuss all massive binaries and single stars which are ejected dynamically from their parent cluster in the N-body models.

RED GIANTS IN ECLIPSING BINARY AND MULTIPLE-STAR SYSTEMS: MODELING AND ASTEROSEISMIC ANALYSIS OF 70 CANDIDATES FROM KEPLER DATA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gaulme, P.; McKeever, J.; Rawls, M. L.

2013-04-10

Red giant stars are proving to be an incredible source of information for testing models of stellar evolution, as asteroseismology has opened up a window into their interiors. Such insights are a direct result of the unprecedented data from space missions CoRoT and Kepler as well as recent theoretical advances. Eclipsing binaries are also fundamental astrophysical objects, and when coupled with asteroseismology, binaries provide two independent methods to obtain masses and radii and exciting opportunities to develop highly constrained stellar models. The possibility of discovering pulsating red giants in eclipsing binary systems is therefore an important goal that could potentiallymore » offer very robust characterization of these systems. Until recently, only one case has been discovered with Kepler. We cross-correlate the detected red giant and eclipsing-binary catalogs from Kepler data to find possible candidate systems. Light-curve modeling and mean properties measured from asteroseismology are combined to yield specific measurements of periods, masses, radii, temperatures, eclipse timing variations, core rotation rates, and red giant evolutionary state. After using three different techniques to eliminate false positives, out of the 70 systems common to the red giant and eclipsing-binary catalogs we find 13 strong candidates (12 previously unknown) to be eclipsing binaries, one to be a non-eclipsing binary with tidally induced oscillations, and 10 more to be hierarchical triple systems, all of which include a pulsating red giant. The systems span a range of orbital eccentricities, periods, and spectral types F, G, K, and M for the companion of the red giant. One case even suggests an eclipsing binary composed of two red giant stars and another of a red giant with a {delta}-Scuti star. The discovery of multiple pulsating red giants in eclipsing binaries provides an exciting test bed for precise astrophysical modeling, and follow-up spectroscopic observations of many of the candidate systems are encouraged. The resulting highly constrained stellar parameters will allow, for example, the exploration of how binary tidal interactions affect pulsations when compared to the single-star case.« less

Oxygen miscibility gap and spin glass formation in the pyrochlore Lu{sub 2}Mo{sub 2}O{sub 7}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clark, L.; Ritter, C.; Harrison, A.

2013-07-15

Rare earth (R) molybdate pyrochlores, R{sub 2}Mo{sub 2}O{sub 7}, are of interest as frustrated magnets. Polycrystalline samples of Lu{sub 2}Mo{sub 2}O{sub 7−x} prepared at 1600 °C display a coexistence of cubic pyrochlore phases. Rietveld fits to powder neutron diffraction data and chemical analyses show that the miscibility gap is between a stoichiometric x=0 and an oxygen-deficient x≈0.4 phase. Lu{sub 2}Mo{sub 2}O{sub 7} behaves as a spin glass material, with a divergence of field cooled and zero field cooled DC magnetic susceptibilities at a spin freezing temperature T{sub f}=16 K, that varies with frequency in AC measurements following a Vogel–Fulcher law.more » Lu{sub 2}Mo{sub 2}O{sub 6.6} is more highly frustrated spin glass and has T{sub f}=20 K. - Graphical abstract: The cubic Lu{sub 2}Mo{sub 2}O{sub 7−x} system exhibits a miscibility gap between coexisting pyrochlore phases at 1600 °C. Neutron powder diffraction refinement and chemical analysis shows that the gap separates stoichiometric x=0 and oxygen-deficient x≈0.4 phases. Lu{sub 2}Mo{sub 2}O{sub 7−x} has a frustrated spin glass ground state that is sensitive to the oxygen content. - Highlights: • The cubic Lu{sub 2}Mo{sub 2}O{sub 7−x} system has a miscibility gap between coexisting pyrochlore phases at 1600 °C. • Neutron powder diffraction shows that the gap separates x=0 and oxygen-deficient x≈0.4 phases. • Lu{sub 2}Mo{sub 2}O{sub 7−x} has a frustrated spin glass ground state that is sensitive to the oxygen content.« less

Novel Shapes of Miscible Interfaces Observed

NASA Technical Reports Server (NTRS)

Balasubramaniam, Ramaswamy; Rashidnia, Nasser

2001-01-01

The dynamics of miscible displacements in a cylindrical tube are being investigated experimentally and numerically, with a view to understand the complex processes that occur, for example, in enhanced oil recovery, hydrology, and filtration. We have observed complex shapes of the interface between two liquids that mix with each other when the less viscous liquid is displaced by the more viscous one in a tube. A less viscous fluid that displaces a more viscous fluid is known to propagate in the form of a "finger," and a flight experiment proposed by Maxworthy et al. to investigate the miscible-interface dynamics is currently being developed by NASA. From the current theory of miscible displacements, which was developed for a porous medium satisfying Darcy's law, it can be shown that in the absence of gravity the interface between the fluids is destabilized and thus susceptible to fingering only when a more viscous fluid is displaced by a less viscous one. Therefore, if the interface is initially flat and the more viscous fluid displaces the less viscous fluid, the interface ought to be stable and remain flat. However, numerical simulations by Chen and Meiburg for such displacement in a cylindrical tube show that the interface is unstable and a finger of the more viscous fluid is indeed formed. Preliminary experiments performed at the NASA Glenn Research Center show that not only can fingering occur when the more viscous fluid displaces a less viscous one in a cylindrical tube, but also that under certain conditions the advancing finger achieves a sinuous or snakelike shape. These experiments were performed using silicone oils in a vertical pipette of small diameter. In the initial configuration, the more viscous fluid rested on top of the less viscous one, and the interface was nominally flat. A dye was added to the upper liquid for ease of observation of the interface between the fluids. The flow was initiated by draining the lower fluid from the bottom of the pipette, at speeds less than 0.1 mm/sec.

Multi-component fluid flow through porous media by interacting lattice gas computer simulation

NASA Astrophysics Data System (ADS)

Cueva-Parra, Luis Alberto

In this work we study structural and transport properties such as power-law behavior of trajectory of each constituent and their center of mass, density profile, mass flux, permeability, velocity profile, phase separation, segregation, and mixing of miscible and immiscible multicomponent fluid flow through rigid and non-consolidated porous media. The considered parameters are the mass ratio of the components, temperature, external pressure, and porosity. Due to its solid theoretical foundation and computational simplicity, the selected approaches are the Interacting Lattice Gas with Monte Carlo Method (Metropolis Algorithm) and direct sampling, combined with particular collision rules. The percolation mechanism is used for modeling initial random porous media. The introduced collision rules allow to model non-consolidated porous media, because part of the kinetic energy of the fluid particles is transfered to barrier particles, which are the components of the porous medium. Having gained kinetic energy, the barrier particles can move. A number of interesting results are observed. Some findings include, (i) phase separation in immiscible fluid flow through a medium with no barrier particles (porosity p P = 1). (ii) For the flow of miscible fluids through rigid porous medium with porosity close to percolation threshold (p C), the flux density (measure of permeability) shows a power law increase ∝ (pC - p) mu with mu = 2.0, and the density profile is found to decay with height ∝ exp(-mA/Bh), consistent with the barometric height law. (iii) Sedimentation and driving of barrier particles in fluid flow through non-consolidated porous medium. This study involves developing computer simulation models with efficient serial and parallel codes, extensive data analysis via graphical utilities, and computer visualization techniques.

Simulations of binary black hole mergers

NASA Astrophysics Data System (ADS)

Lovelace, Geoffrey

2017-01-01

Advanced LIGO's observations of merging binary black holes have inaugurated the era of gravitational wave astronomy. Accurate models of binary black holes and the gravitational waves they emit are helping Advanced LIGO to find as many gravitational waves as possible and to learn as much as possible about the waves' sources. These models require numerical-relativity simulations of binary black holes, because near the time when the black holes merge, all analytic approximations break down. Following breakthroughs in 2005, many research groups have built numerical-relativity codes capable of simulating binary black holes. In this talk, I will discuss current challenges in simulating binary black holes for gravitational-wave astronomy, and I will discuss the tremendous progress that has already enabled such simulations to become an essential tool for Advanced LIGO.

Interfacing modeling suite Physics Of Eclipsing Binaries 2.0 with a Virtual Reality Platform

NASA Astrophysics Data System (ADS)

Harriett, Edward; Conroy, Kyle; Prša, Andrej; Klassner, Frank

2018-01-01

To explore alternate methods for modeling eclipsing binary stars, we extrapolate upon PHOEBE’s (PHysics Of Eclipsing BinariEs) capabilities in a virtual reality (VR) environment to create an immersive and interactive experience for users. The application used is Vizard, a python-scripted VR development platform for environments such as Cave Automatic Virtual Environment (CAVE) and other off-the-shelf VR headsets. Vizard allows the freedom for all modeling to be precompiled without compromising functionality or usage on its part. The system requires five arguments to be precomputed using PHOEBE’s python front-end: the effective temperature, flux, relative intensity, vertex coordinates, and orbits; the user can opt to implement other features from PHOEBE to be accessed within the simulation as well. Here we present the method for making the data observables accessible in real time. An Occulus Rift will be available for a live showcase of various cases of VR rendering of PHOEBE binary systems including detached and contact binary stars.

Analysis of Predominance of Sexual Reproduction and Quadruplicity of Bases by Computer Simulation

NASA Astrophysics Data System (ADS)

Dasgupta, Subinay

We have presented elsewhere a model for computer simulation of a colony of individuals reproducing sexually, by meiotic parthenogenesis and by cloning. Our algorithm takes into account food and space restriction, and attacks of some diseases. Each individual is characterized by a string of L ``base'' units, each of which can be of four types (quaternary model) or two types (binary model). Our previous report was for the case of L=12 (quaternary model) and L=24 (binary model) and contained the result that the fluctuation of population was the lowest for sexual reproduction with four types of base units. The present communication reports that the same conclusion also holds for L=10 (quaternary model) and L=20 (binary model), and for L=8 (quaternary model) and L=16 (binary model). This model however, suffers from the drawback that it does not show the effect of aging. A modification of the model was attempted to remove this drawback, but the results were not encouraging.

Black Hole Mergers in Galactic Nuclei Induced by the Eccentric Kozai–Lidov Effect

NASA Astrophysics Data System (ADS)

Hoang, Bao-Minh; Naoz, Smadar; Kocsis, Bence; Rasio, Frederic A.; Dosopoulou, Fani

2018-04-01

Nuclear star clusters around a central massive black hole (MBH) are expected to be abundant in stellar black hole (BH) remnants and BH–BH binaries. These binaries form a hierarchical triple system with the central MBH, and gravitational perturbations from the MBH can cause high-eccentricity excitation in the BH–BH binary orbit. During this process, the eccentricity may approach unity, and the pericenter distance may become sufficiently small so that gravitational-wave emission drives the BH–BH binary to merge. In this work, we construct a simple proof-of-concept model for this process, and specifically, we study the eccentric Kozai–Lidov mechanism in unequal-mass, soft BH–BH binaries. Our model is based on a set of Monte Carlo simulations for BH–BH binaries in galactic nuclei, taking into account quadrupole- and octupole-level secular perturbations, general relativistic precession, and gravitational-wave emission. For a typical steady-state number of BH–BH binaries, our model predicts a total merger rate of ∼1–3 {Gpc} ‑3 {yr} ‑1, depending on the assumed density profile in the nucleus. Thus, our mechanism could potentially compete with other dynamical formation processes for merging BH–BH binaries, such as the interactions of stellar BHs in globular clusters or in nuclear star clusters without an MBH.

A Photometric Study of the Eclipsing Binary Star PY Boötis

NASA Astrophysics Data System (ADS)

Michaels, E. J.

2016-12-01

Presented here are the first precision multi-band CCD photometry of the eclipsing binary star PY Boötis. Best-fit stellar models were determined by analyzing the light curves with the Wilson-Devinney program. Asymmetries in the light curves were interpreted as resulting from magnetic activity which required spots to be included in the model. The resulting model is consistent with a W-type contact eclipsing binary having total eclipses.

Embedded binaries and their dense cores

NASA Astrophysics Data System (ADS)

Sadavoy, Sarah I.; Stahler, Steven W.

2017-08-01

We explore the relationship between young, embedded binaries and their parent cores, using observations within the Perseus Molecular Cloud. We combine recently published Very Large Array observations of young stars with core properties obtained from Submillimetre Common-User Bolometer Array 2 observations at 850 μm. Most embedded binary systems are found towards the centres of their parent cores, although several systems have components closer to the core edge. Wide binaries, defined as those systems with physical separations greater than 500 au, show a tendency to be aligned with the long axes of their parent cores, whereas tight binaries show no preferred orientation. We test a number of simple, evolutionary models to account for the observed populations of Class 0 and I sources, both single and binary. In the model that best explains the observations, all stars form initially as wide binaries. These binaries either break up into separate stars or else shrink into tighter orbits. Under the assumption that both stars remain embedded following binary break-up, we find a total star formation rate of 168 Myr-1. Alternatively, one star may be ejected from the dense core due to binary break-up. This latter assumption results in a star formation rate of 247 Myr-1. Both production rates are in satisfactory agreement with current estimates from other studies of Perseus. Future observations should be able to distinguish between these two possibilities. If our model continues to provide a good fit to other star-forming regions, then the mass fraction of dense cores that becomes stars is double what is currently believed.

A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

NASA Astrophysics Data System (ADS)

Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

2016-04-01

A structural molar volume model was developed to accurately reproduce the molar volume of molten oxides. As the non-linearity of molar volume is related to the change in structure of molten oxides, the silicate tetrahedral Q-species, calculated from the modified quasichemical model with an optimized thermodynamic database, were used as basic structural units in the present model. Experimental molar volume data for unary and binary melts in the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 system were critically evaluated. The molar volumes of unary oxide components and binary Q-species, which are model parameters of the present structural model, were determined to accurately reproduce the experimental data across the entire binary composition in a wide range of temperatures. The non-linear behavior of molar volume and thermal expansivity of binary melt depending on SiO2 content are well reproduced by the present model.

Photometric Analysis and Modeling of Five Mass-Transferring Binary Systems

NASA Astrophysics Data System (ADS)

Geist, Emily; Beaky, Matthew; Jamison, Kate

2018-01-01

In overcontact eclipsing binary systems, both stellar components have overfilled their Roche lobes, resulting in a dumbbell-shaped shared envelope. Mass transfer is common in overcontact binaries, which can be observed as a slow change on the rotation period of the system.We studied five overcontact eclipsing binary systems with evidence of period change, and thus likely mass transfer between the components, identified by Nelson (2014): V0579 Lyr, KN Vul, V0406 Lyr, V2240 Cyg, and MS Her. We used the 31-inch NURO telescope at Lowell Observatory in Flagstaff, Arizona to obtain images in B,V,R, and I filters for V0579 Lyr, and the 16-inch Meade LX200GPS telescope with attached SBIG ST-8XME CCD camera at Juniata College in Huntingdon, Pennsylvania to image KN Vul, V0406 Lyr, V2240 Cyg, and MS Her, also in B,V,R, and I.After data reduction, we created light curves for each of the systems and modeled the eclipsing binaries using the BinaryMaker3 and PHOEBE programs to determine their fundamental physical parameters for the first time. Complete light curves and preliminary models for each of these neglected eclipsing binary systems will be presented.

Buoyancy-driven instabilities around miscible A+B→C reaction fronts: a general classification.

PubMed

Trevelyan, P M J; Almarcha, C; De Wit, A

2015-02-01

Upon contact between miscible solutions of reactants A and B along a horizontal interface in the gravity field, various buoyancy-driven instabilities can develop when an A+B→C reaction takes place and the density varies with the concentrations of the various chemicals. To classify the possible convective instability scenarios, we analyze the spatial dependence of the large time asymptotic density profiles as a function of the key parameters of the problem, which are the ratios of diffusion coefficients and of solutal expansion coefficients of species A, B, and C. We find that 62 different density profiles can develop in the reactive problem, whereas only 6 of them can be obtained in the nonreactive one.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Djabbarah, N.F.

A miscible displacement process for recovering oil from a subterranean, oil-containing formation penetrated by at least one injection well and at least one spaced-apart production well and having fluid communication between the injection and the production wells is described comprising: (a) injecting a slug of til oil into the formation through the injection well; (b) injecting a slug of a displacing fluid into the formation through the injection well, the displacing fluid being selected from the group consisting of carbon monoxide, carbon dioxide, methane, nitrogen, air, flue gas, combustion gas and mixtures thereof, the injection of the tall oil loweringmore » the minimum miscibility pressure of the displacing fluid in the formation oil; and (c) recovering the oil through the production well.« less

Classification of Stellar Orbits in Axisymmetric Galaxies

NASA Astrophysics Data System (ADS)

Li, Baile; Holley-Bockelmann, Kelly; Khan, Fazeel Mahmood

2015-09-01

It is known that two supermassive black holes (SMBHs) cannot merge in a spherical galaxy within a Hubble time; an emerging picture is that galaxy geometry, rotation, and large potential perturbations may usher the SMBH binary through the critical three-body scattering phase and ultimately drive the SMBH to coalesce. We explore the orbital content within an N-body model of a mildly flattened, non-rotating, SMBH-embedded elliptical galaxy. When used as the foundation for a study on the SMBH binary coalescence, the black holes bypassed the binary stalling often seen within spherical galaxies and merged on gigayear timescales. Using both frequency-mapping and angular momentum criteria, we identify a wealth of resonant orbits in the axisymmetric model, including saucers, that are absent from an otherwise identical spherical system and that can potentially interact with the binary. We quantified the set of orbits that could be scattered by the SMBH binary, and found that the axisymmetric model contained nearly six times the number of these potential loss cone orbits compared to our equivalent spherical model. In this flattened model, the mass of these orbits is more than three times that of the SMBH, which is consistent with what the SMBH binary needs to scatter to transition into the gravitational wave regime.

CLASSIFICATION OF STELLAR ORBITS IN AXISYMMETRIC GALAXIES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Baile; Holley-Bockelmann, Kelly; Khan, Fazeel Mahmood, E-mail: baile.li@vanderbilt.edu, E-mail: k.holley@vanderbilt.edu, E-mail: khanfazeel.ist@gmail.com

2015-09-20

It is known that two supermassive black holes (SMBHs) cannot merge in a spherical galaxy within a Hubble time; an emerging picture is that galaxy geometry, rotation, and large potential perturbations may usher the SMBH binary through the critical three-body scattering phase and ultimately drive the SMBH to coalesce. We explore the orbital content within an N-body model of a mildly flattened, non-rotating, SMBH-embedded elliptical galaxy. When used as the foundation for a study on the SMBH binary coalescence, the black holes bypassed the binary stalling often seen within spherical galaxies and merged on gigayear timescales. Using both frequency-mapping andmore » angular momentum criteria, we identify a wealth of resonant orbits in the axisymmetric model, including saucers, that are absent from an otherwise identical spherical system and that can potentially interact with the binary. We quantified the set of orbits that could be scattered by the SMBH binary, and found that the axisymmetric model contained nearly six times the number of these potential loss cone orbits compared to our equivalent spherical model. In this flattened model, the mass of these orbits is more than three times that of the SMBH, which is consistent with what the SMBH binary needs to scatter to transition into the gravitational wave regime.« less

Accuracy of inference on the physics of binary evolution from gravitational-wave observations

NASA Astrophysics Data System (ADS)

Barrett, Jim W.; Gaebel, Sebastian M.; Neijssel, Coenraad J.; Vigna-Gómez, Alejandro; Stevenson, Simon; Berry, Christopher P. L.; Farr, Will M.; Mandel, Ilya

2018-04-01

The properties of the population of merging binary black holes encode some of the uncertain physics underlying the evolution of massive stars in binaries. The binary black hole merger rate and chirp-mass distribution are being measured by ground-based gravitational-wave detectors. We consider isolated binary evolution, and explore how accurately the physical model can be constrained with such observations by applying the Fisher information matrix to the merging black hole population simulated with the rapid binary-population synthesis code COMPAS. We investigate variations in four COMPAS parameters: common-envelope efficiency, kick-velocity dispersion, and mass-loss rates during the luminous blue variable and Wolf-Rayet stellar-evolutionary phases. We find that ˜1000 observations would constrain these model parameters to a fractional accuracy of a few per cent. Given the empirically determined binary black hole merger rate, we can expect gravitational-wave observations alone to place strong constraints on the physics of stellar and binary evolution within a few years. Our approach can be extended to use other observational data sets; combining observations at different evolutionary stages will lead to a better understanding of stellar and binary physics.

Accuracy of inference on the physics of binary evolution from gravitational-wave observations

NASA Astrophysics Data System (ADS)

Barrett, Jim W.; Gaebel, Sebastian M.; Neijssel, Coenraad J.; Vigna-Gómez, Alejandro; Stevenson, Simon; Berry, Christopher P. L.; Farr, Will M.; Mandel, Ilya

2018-07-01

The properties of the population of merging binary black holes encode some of the uncertain physics underlying the evolution of massive stars in binaries. The binary black hole merger rate and chirp-mass distribution are being measured by ground-based gravitational-wave detectors. We consider isolated binary evolution, and explore how accurately the physical model can be constrained with such observations by applying the Fisher information matrix to the merging black hole population simulated with the rapid binary-population synthesis code COMPAS. We investigate variations in four COMPAS parameters: common-envelope efficiency, kick-velocity dispersion and mass-loss rates during the luminous blue variable, and Wolf-Rayet stellar-evolutionary phases. We find that ˜1000 observations would constrain these model parameters to a fractional accuracy of a few per cent. Given the empirically determined binary black hole merger rate, we can expect gravitational-wave observations alone to place strong constraints on the physics of stellar and binary evolution within a few years. Our approach can be extended to use other observational data sets; combining observations at different evolutionary stages will lead to a better understanding of stellar and binary physics.

[Analysis of binary classification repeated measurement data with GEE and GLMMs using SPSS software].

PubMed

An, Shengli; Zhang, Yanhong; Chen, Zheng

2012-12-01

To analyze binary classification repeated measurement data with generalized estimating equations (GEE) and generalized linear mixed models (GLMMs) using SPSS19.0. GEE and GLMMs models were tested using binary classification repeated measurement data sample using SPSS19.0. Compared with SAS, SPSS19.0 allowed convenient analysis of categorical repeated measurement data using GEE and GLMMs.

Multireader multicase reader studies with binary agreement data: simulation, analysis, validation, and sizing.

PubMed

Chen, Weijie; Wunderlich, Adam; Petrick, Nicholas; Gallas, Brandon D

2014-10-01

We treat multireader multicase (MRMC) reader studies for which a reader's diagnostic assessment is converted to binary agreement (1: agree with the truth state, 0: disagree with the truth state). We present a mathematical model for simulating binary MRMC data with a desired correlation structure across readers, cases, and two modalities, assuming the expected probability of agreement is equal for the two modalities ([Formula: see text]). This model can be used to validate the coverage probabilities of 95% confidence intervals (of [Formula: see text], [Formula: see text], or [Formula: see text] when [Formula: see text]), validate the type I error of a superiority hypothesis test, and size a noninferiority hypothesis test (which assumes [Formula: see text]). To illustrate the utility of our simulation model, we adapt the Obuchowski-Rockette-Hillis (ORH) method for the analysis of MRMC binary agreement data. Moreover, we use our simulation model to validate the ORH method for binary data and to illustrate sizing in a noninferiority setting. Our software package is publicly available on the Google code project hosting site for use in simulation, analysis, validation, and sizing of MRMC reader studies with binary agreement data.

Multireader multicase reader studies with binary agreement data: simulation, analysis, validation, and sizing

PubMed Central

Chen, Weijie; Wunderlich, Adam; Petrick, Nicholas; Gallas, Brandon D.

2014-01-01

Abstract. We treat multireader multicase (MRMC) reader studies for which a reader’s diagnostic assessment is converted to binary agreement (1: agree with the truth state, 0: disagree with the truth state). We present a mathematical model for simulating binary MRMC data with a desired correlation structure across readers, cases, and two modalities, assuming the expected probability of agreement is equal for the two modalities (P1=P2). This model can be used to validate the coverage probabilities of 95% confidence intervals (of P1, P2, or P1−P2 when P1−P2=0), validate the type I error of a superiority hypothesis test, and size a noninferiority hypothesis test (which assumes P1=P2). To illustrate the utility of our simulation model, we adapt the Obuchowski–Rockette–Hillis (ORH) method for the analysis of MRMC binary agreement data. Moreover, we use our simulation model to validate the ORH method for binary data and to illustrate sizing in a noninferiority setting. Our software package is publicly available on the Google code project hosting site for use in simulation, analysis, validation, and sizing of MRMC reader studies with binary agreement data. PMID:26158051

MIXING STUDY FOR JT-71/72 TANKS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, S.

2013-11-26

All modeling calculations for the mixing operations of miscible fluids contained in HBLine tanks, JT-71/72, were performed by taking a three-dimensional Computational Fluid Dynamics (CFD) approach. The CFD modeling results were benchmarked against the literature results and the previous SRNL test results to validate the model. Final performance calculations were performed by using the validated model to quantify the mixing time for the HB-Line tanks. The mixing study results for the JT-71/72 tanks show that, for the cases modeled, the mixing time required for blending of the tank contents is no more than 35 minutes, which is well below 2.5more » hours of recirculation pump operation. Therefore, the results demonstrate the adequacy of 2.5 hours’ mixing time of the tank contents by one recirculation pump to get well mixed.« less

Novel biocompatible polymeric blends for bone regeneration: Material and matrix design and development

NASA Astrophysics Data System (ADS)

Deng, Meng

The first part of the work presented in this dissertation is focused on the design and development of novel miscible and biocompatible polyphosphazene-polyester blends as candidate materials for scaffold-based bone tissue engineering applications. Biodegradable polyesters such as poly(lactide-co-glycolide) (PLAGA) are among the most widely used polymeric materials for bone tissue engineering. However, acidic degradation products resulting from the bulk degradation mechanism often lead to catastrophic failure of the structure integrity, and adversely affect biocompatibility both in vitro and in vivo. One promising approach to circumvent these limitations is to blend PLAGA with other macromolecules that can buffer the acidic degradation products with a controlled degradation rate. Biodegradable polyphosphazenes (PPHOS), a new class of biomedical materials, have proved to be superior candidate materials to achieve this objective due to their unique buffering degradation products. A highly practical blending approach was adopted to develop novel biocompatible, miscible blends of these two polymers. In order to achieve this miscibility, a series of amino acid ester, alkoxy, aryloxy, and dipeptide substituted PPHOS were synthesized to promote hydrogen bonding interactions with PLAGA. Five mixed-substituent PPHOS compositions were designed and blended with PLAGA at different weight ratios producing candidate blends via a mutual solvent method. Preliminary characterization identified two specific side groups namely glycylglycine dipeptide and phenylphenoxy that resulted in improved blend miscibility and enhanced in vitro osteocompatibility. These findings led to the synthesis of a mixed-substituent polyphosphazene poly[(glycine ethyl glycinato)1(phenylphenoxy)1phosphazene] (PNGEGPhPh) for blending with PLAGA. Two dipeptide-based blends having weight ratios of PNGEGPhPh to PLAGA namely 25:75 (Matrix1) and 50:50 (Matrix2) were fabricated. Both of the blends were characterized for miscibility, mechanical properties, degradation kinetics, and in vitro osteocompatibility. Primary rat osteoblasts (PRO) isolated from rat calvaria were used to evaluate their in vitro osteocompatibility. The blends were also characterized for in vivo biodegradability and biocompatibility using a rat subcutaneous implantation model. Successful in vivo scaffold-based tissue regeneration greatly depends on the scaffold material biocompatibility, mechanical stability, and scaffold architecture to promote tissue in-growth. The other part of the work in the dissertation is focused on the development of mechanically competent bioresorbable nano-structured three-dimensional (3D) hiomimetic scaffolds for bone tissue engineering applications. Scaffold material selection was based on achieving improved mechanical stability, in vitro osteoblast performance, and in vivo biocompatibility. A miscible PNGEGPhPh-PLAGA blend system developed and characterized in the first part of the thesis work was chosen to fabricate a nanofiber-based mechanically competent biomimetic scaffold via electrospinning. Due to its versatility, controllability and reproducibility, the technique of electrospinning was adopted to produce blend nanofibers. The polymer solution concentration and electrospinning parameters were optimized to produce blend fibers in the range of 50-500 nm to mimic dimensions of collagen fibrils present in the natural extracellular matrix of native bone. These blend nanofiber matrices supported PRO adhesion, proliferation and showed an elevated phenotype expression compared to PLAGA nanofibers. Orienting electrospun nanofibers in a concentric manner with an open central cavity created a mechanically competent 3D scaffold mimicking the bone marrow cavity, as well as, the lamellar structure of bone. The 3D biomimetic scaffold exhibited a similar characteristic mechanical behavior to that of native bone. Compressive modulus of the scaffold was found to be within the range of human trabecular bone. To our knowledge this is the first mechanically competent 3D electrospun nanofiber scaffold with mechanical properties in the middle range of human trabecular bone. The potential of this scaffold for bone repair was further investigated by monitoring the cellular activity and mechanical performance over time using in vitro culture. This biomimetic scaffold supported the robust PRO growth throughout the scaffold architecture and maintained osteoblast phenotype expression in vitro, which resulted in a similar cell-matrix organization to that of native bone and maintenance of structure integrity. (Abstract shortened by UMI.)

Equilibrium, stability, and orbital evolution of close binary systems

NASA Technical Reports Server (NTRS)

Lai, Dong; Rasio, Frederic A.; Shapiro, Stuart L.

1994-01-01

We present a new analytic study of the equilibrium and stability properties of close binary systems containing polytropic components. Our method is based on the use of ellipsoidal trial functions in an energy variational principle. We consider both synchronized and nonsynchronized systems, constructing the compressible generalizations of the classical Darwin and Darwin-Riemann configurations. Our method can be applied to a wide variety of binary models where the stellar masses, radii, spins, entropies, and polytropic indices are all allowed to vary over wide ranges and independently for each component. We find that both secular and dynamical instabilities can develop before a Roche limit or contact is reached along a sequence of models with decreasing binary separation. High incompressibility always makes a given binary system more susceptible to these instabilities, but the dependence on the mass ratio is more complicated. As simple applications, we construct models of double degenerate systems and of low-mass main-sequence star binaries. We also discuss the orbital evoltuion of close binary systems under the combined influence of fluid viscosity and secular angular momentum losses from processes like gravitational radiation. We show that the existence of global fluid instabilities can have a profound effect on the terminal evolution of coalescing binaries. The validity of our analytic solutions is examined by means of detailed comparisons with the results of recent numerical fluid calculations in three dimensions.

Guidance for the utility of linear models in meta-analysis of genetic association studies of binary phenotypes.

PubMed

Cook, James P; Mahajan, Anubha; Morris, Andrew P

2017-02-01

Linear mixed models are increasingly used for the analysis of genome-wide association studies (GWAS) of binary phenotypes because they can efficiently and robustly account for population stratification and relatedness through inclusion of random effects for a genetic relationship matrix. However, the utility of linear (mixed) models in the context of meta-analysis of GWAS of binary phenotypes has not been previously explored. In this investigation, we present simulations to compare the performance of linear and logistic regression models under alternative weighting schemes in a fixed-effects meta-analysis framework, considering designs that incorporate variable case-control imbalance, confounding factors and population stratification. Our results demonstrate that linear models can be used for meta-analysis of GWAS of binary phenotypes, without loss of power, even in the presence of extreme case-control imbalance, provided that one of the following schemes is used: (i) effective sample size weighting of Z-scores or (ii) inverse-variance weighting of allelic effect sizes after conversion onto the log-odds scale. Our conclusions thus provide essential recommendations for the development of robust protocols for meta-analysis of binary phenotypes with linear models.

First photometric study of two southern eclipsing binaries IS Tel and DW Aps

NASA Astrophysics Data System (ADS)

Özer, S.; Sürgit, D.; Erdem, A.; Öztürk, O.

2017-02-01

The paper presents the first photometric analysis of two southern eclipsing binary stars, IS Tel and DW Aps. Their V light curves from the All Sky Automated Survey were modelled by using Wilson-Devinney method. The final models give these two Algol-like binary stars as having detached configurations. Absolute parameters of the components of the systems were also estimated.

Binary versus non-binary information in real time series: empirical results and maximum-entropy matrix models

NASA Astrophysics Data System (ADS)

Almog, Assaf; Garlaschelli, Diego

2014-09-01

The dynamics of complex systems, from financial markets to the brain, can be monitored in terms of multiple time series of activity of the constituent units, such as stocks or neurons, respectively. While the main focus of time series analysis is on the magnitude of temporal increments, a significant piece of information is encoded into the binary projection (i.e. the sign) of such increments. In this paper we provide further evidence of this by showing strong nonlinear relations between binary and non-binary properties of financial time series. These relations are a novel quantification of the fact that extreme price increments occur more often when most stocks move in the same direction. We then introduce an information-theoretic approach to the analysis of the binary signature of single and multiple time series. Through the definition of maximum-entropy ensembles of binary matrices and their mapping to spin models in statistical physics, we quantify the information encoded into the simplest binary properties of real time series and identify the most informative property given a set of measurements. Our formalism is able to accurately replicate, and mathematically characterize, the observed binary/non-binary relations. We also obtain a phase diagram allowing us to identify, based only on the instantaneous aggregate return of a set of multiple time series, a regime where the so-called ‘market mode’ has an optimal interpretation in terms of collective (endogenous) effects, a regime where it is parsimoniously explained by pure noise, and a regime where it can be regarded as a combination of endogenous and exogenous factors. Our approach allows us to connect spin models, simple stochastic processes, and ensembles of time series inferred from partial information.

Hunting for brown dwarf binaries with X-Shooter

NASA Astrophysics Data System (ADS)

Manjavacas, E.; Goldman, B.; Alcalá, J. M.; Zapatero-Osorio, M. R.; Béjar, B. J. S.; Homeier, D.; Bonnefoy, M.; Smart, R. L.; Henning, T.; Allard, F.

2015-05-01

The refinement of the brown dwarf binary fraction may contribute to the understanding of the substellar formation mechanisms. Peculiar brown dwarf spectra or discrepancy between optical and near-infrared spectral type classification of brown dwarfs may indicate unresolved brown dwarf binary systems. We obtained medium-resolution spectra of 22 brown dwarfs of potential binary candidates using X-Shooter at the VLT. We aimed to select brown dwarf binary candidates. We also tested whether BT-Settl 2014 atmospheric models reproduce the physics in the atmospheres of these objects. To find different spectral type spectral binaries, we used spectral indices and we compared the selected candidates to single spectra and composition of two single spectra from libraries, to try to reproduce our X-Shooter spectra. We also created artificial binaries within the same spectral class, and we tried to find them using the same method as for brown dwarf binaries with different spectral types. We compared our spectra to the BT-Settl models 2014. We selected six possible candidates to be combination of L plus T brown dwarfs. All candidates, except one, are better reproduced by a combination of two single brown dwarf spectra than by a single spectrum. The one-sided F-test discarded this object as a binary candidate. We found that we are not able to find the artificial binaries with components of the same spectral type using the same method used for L plus T brown dwarfs. Best matches to models gave a range of effective temperatures between 950 K and 1900 K, a range of gravities between 4.0 and 5.5. Some best matches corresponded to supersolar metallicity.

Observational properties of massive black hole binary progenitors

NASA Astrophysics Data System (ADS)

Hainich, R.; Oskinova, L. M.; Shenar, T.; Marchant, P.; Eldridge, J. J.; Sander, A. A. C.; Hamann, W.-R.; Langer, N.; Todt, H.

2018-01-01

Context. The first directly detected gravitational waves (GW 150914) were emitted by two coalescing black holes (BHs) with masses of ≈ 36 M⊙ and ≈ 29 M⊙. Several scenarios have been proposed to put this detection into an astrophysical context. The evolution of an isolated massive binary system is among commonly considered models. Aims: Various groups have performed detailed binary-evolution calculations that lead to BH merger events. However, the question remains open as to whether binary systems with the predicted properties really exist. The aim of this paper is to help observers to close this gap by providing spectral characteristics of massive binary BH progenitors during a phase where at least one of the companions is still non-degenerate. Methods: Stellar evolution models predict fundamental stellar parameters. Using these as input for our stellar atmosphere code (Potsdam Wolf-Rayet), we compute a set of models for selected evolutionary stages of massive merging BH progenitors at different metallicities. Results: The synthetic spectra obtained from our atmosphere calculations reveal that progenitors of massive BH merger events start their lives as O2-3V stars that evolve to early-type blue supergiants before they undergo core-collapse during the Wolf-Rayet phase. When the primary has collapsed, the remaining system will appear as a wind-fed high-mass X-ray binary. Based on our atmosphere models, we provide feedback parameters, broad band magnitudes, and spectral templates that should help to identify such binaries in the future. Conclusions: While the predicted parameter space for massive BH binary progenitors is partly realized in nature, none of the known massive binaries match our synthetic spectra of massive BH binary progenitors exactly. Comparisons of empirically determined mass-loss rates with those assumed by evolution calculations reveal significant differences. The consideration of the empirical mass-loss rates in evolution calculations will possibly entail a shift of the maximum in the predicted binary-BH merger rate to higher metallicities, that is, more candidates should be expected in our cosmic neighborhood than previously assumed.

The COBAIN (COntact Binary Atmospheres with INterpolation) Code for Radiative Transfer

NASA Astrophysics Data System (ADS)

Kochoska, Angela; Prša, Andrej; Horvat, Martin

2018-01-01

Standard binary star modeling codes make use of pre-existing solutions of the radiative transfer equation in stellar atmospheres. The various model atmospheres available today are consistently computed for single stars, under different assumptions - plane-parallel or spherical atmosphere approximation, local thermodynamical equilibrium (LTE) or non-LTE (NLTE), etc. However, they are nonetheless being applied to contact binary atmospheres by populating the surface corresponding to each component separately and neglecting any mixing that would typically occur at the contact boundary. In addition, single stellar atmosphere models do not take into account irradiance from a companion star, which can pose a serious problem when modeling close binaries. 1D atmosphere models are also solved under the assumption of an atmosphere in hydrodynamical equilibrium, which is not necessarily the case for contact atmospheres, as the potentially different densities and temperatures can give rise to flows that play a key role in the heat and radiation transfer.To resolve the issue of erroneous modeling of contact binary atmospheres using single star atmosphere tables, we have developed a generalized radiative transfer code for computation of the normal emergent intensity of a stellar surface, given its geometry and internal structure. The code uses a regular mesh of equipotential surfaces in a discrete set of spherical coordinates, which are then used to interpolate the values of the structural quantites (density, temperature, opacity) in any given point inside the mesh. The radiaitive transfer equation is numerically integrated in a set of directions spanning the unit sphere around each point and iterated until the intensity values for all directions and all mesh points converge within a given tolerance. We have found that this approach, albeit computationally expensive, is the only one that can reproduce the intensity distribution of the non-symmetric contact binary atmosphere and can be used with any existing or new model of the structure of contact binaries. We present results on several test objects and future prospects of the implementation in state-of-the-art binary star modeling software.

Multialternative drift-diffusion model predicts the relationship between visual fixations and choice in value-based decisions.

PubMed

Krajbich, Ian; Rangel, Antonio

2011-08-16

How do we make decisions when confronted with several alternatives (e.g., on a supermarket shelf)? Previous work has shown that accumulator models, such as the drift-diffusion model, can provide accurate descriptions of the psychometric data for binary value-based choices, and that the choice process is guided by visual attention. However, the computational processes used to make choices in more complicated situations involving three or more options are unknown. We propose a model of trinary value-based choice that generalizes what is known about binary choice, and test it using an eye-tracking experiment. We find that the model provides a quantitatively accurate description of the relationship between choice, reaction time, and visual fixation data using the same parameters that were estimated in previous work on binary choice. Our findings suggest that the brain uses similar computational processes to make binary and trinary choices.

THE QUASI-ROCHE LOBE OVERFLOW STATE IN THE EVOLUTION OF CLOSE BINARY SYSTEMS CONTAINING A RADIO PULSAR

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benvenuto, O. G.; De Vito, M. A.; Horvath, J. E., E-mail: adevito@fcaglp.unlp.edu.ar, E-mail: foton@iag.usp.br

We study the evolution of close binary systems formed by a normal (solar composition), intermediate-mass-donor star together with a neutron star. We consider models including irradiation feedback and evaporation. These nonstandard ingredients deeply modify the mass-transfer stages of these binaries. While models that neglect irradiation feedback undergo continuous, long-standing mass-transfer episodes, models including these effects suffer a number of cycles of mass transfer and detachment. During mass transfer, the systems should reveal themselves as low-mass X-ray binaries (LMXBs), whereas when they are detached they behave as binary radio pulsars. We show that at these stages irradiated models are in amore » Roche lobe overflow (RLOF) state or in a quasi-RLOF state. Quasi-RLOF stars have radii slightly smaller than their Roche lobes. Remarkably, these conditions are attained for an orbital period as well as donor mass values in the range corresponding to a family of binary radio pulsars known as ''redbacks''. Thus, redback companions should be quasi-RLOF stars. We show that the characteristics of the redback system PSR J1723-2837 are accounted for by these models. In each mass-transfer cycle these systems should switch from LMXB to binary radio pulsar states with a timescale of approximately one million years. However, there is recent and fast growing evidence of systems switching on far shorter, human timescales. This should be related to instabilities in the accretion disk surrounding the neutron star and/or radio ejection, still to be included in the model having the quasi-RLOF state as a general condition.« less

Miscibility and interaction between 1-alkanol and short-chain phosphocholine in the adsorbed film and micelles.

PubMed

Takajo, Yuichi; Matsuki, Hitoshi; Kaneshina, Shoji; Aratono, Makoto; Yamanaka, Michio

2007-09-01

The miscibility and interaction of 1-hexanol (C6OH) and 1-heptanol (C7OH) with 1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC) in the adsorbed films and micelles were investigated by measuring the surface tension of aqueous C6OH-DHPC and aqueous C7OH-DHPC solutions. The surface density, the mean molecular area, the composition of the adsorbed film, and the excess Gibbs energy of adsorption g(H,E), were estimated. Further, the critical micelle concentration of the mixtures was determined from the surface tension versus molality curves; the micellar composition was calculated. The miscibility of the 1-alkanols and DHPC molecules in the adsorbed film and micelles was examined using the phase diagram of adsorption (PDA) and that of micellization (PDM). The PDA and the composition dependence of g(H,E) indicated the non-ideal mixing of the 1-alkanols and DHPC molecules due to the attractive interaction between the molecules in the adsorbed film, while the PDM indicated that the 1-alkanol molecules were not incorporated in the micelles within DHPC rich region. The dependence of the mean molecular area of the mixtures on the surface composition suggested that the packing property of the adsorbed film depends on the chain length of 1-alkanol: C6OH expands the DHPC adsorbed film more than C7OH.

An experimental study of non-isothermal miscible displacements in a Hele-Shaw cell

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nagatsu, Yuichiro; Fujita, Norihito; Kato, Yoshihito

Non-isothermal miscible displacements in a radial Hele-Shaw cell were experimentally investigated using a scheme in which room temperature liquids of relatively high viscosity were displaced by high-temperature (80 C), less-viscous liquids. Fundamental characteristics have been presented regarding how the effect of a non-isothermal field on miscible displacement patterns varies in terms of factors such as the viscosity ratio of the more- and less-viscous liquids at 20 C, M{sub 20}, the rate of an increase in the pattern's area, R, and the gap width of the cell, b. The concept of area density was used to quantitatively evaluate the effect ofmore » the non-isothermal fields on the patterns. We have found that the effect of the non-isothermal field on the patterns does not monotonically vary with M{sub 20} and b. In contrast, it increases with R in the present experimental condition. The experimental results can be explained by introducing an assumption in which heat is transferred mainly to the plates of the cell, in other words, the temperature of the more-viscous liquid remains constant, whereas that of the less-viscous liquid spatiotemporally decreases and the viscosity of it increases along with the temperature decrease. Visualization of non-isothermal field in the cell has been done by means of a thermo sheet and the results support the assumption mentioned above. (author)« less

Pseudolatex preparation using a novel emulsion-diffusion process involving direct displacement of partially water-miscible solvents by distillation.

PubMed

Quintanar-Guerrero, D; Allémann, E; Fessi, H; Doelker, E

1999-10-25

Pseudolatexes were obtained by a new process based on an emulsification-diffusion technique involving partially water-miscible solvents. The preparation method consisted of emulsifying an organic solution of polymer (saturated with water) in an aqueous solution of a stabilizing agent (saturated with solvent) using conventional stirrers, followed by direct solvent distillation. The technique relies on the rapid displacement of the solvent from the internal into the external phase which thereby provokes polymer aggregation. Nanoparticle formation is believed to occur because rapid solvent diffusion produces regions of local supersaturation near the interface, and nanoparticles are formed due to the ensuing interfacial phase transformations and polymer aggregation that occur in these interfacial domains. Using this method, it was possible to prepare pseudolatexes of biodegradable and non-biodegradable polymers such as poly(D,L-lactic acid) and poly(epsilon-caprolactone), Eudragit E, cellulose acetate phthalate, cellulose acetate trimellitate using ethyl acetate or 2-butanone as partially water-miscible solvents and poly(vinyl alcohol) or poloxamer 407 as stabilizing agent. A transition from nano- to microparticles was observed at high polymer concentrations. At concentrations above 30% w/v of Eudragit E in ethyl acetate or cellulose acetate phthalate in 2-butanone only microparticles were obtained. This behaviour was attributed to decreased transport of polymer molecules into the aqueous phase.

Effect of poly(ethylene oxide) homopolymer and two different poly(ethylene oxide-b-poly(propylene oxide)-b-poly(ethylene oxide) triblock copolymers on morphological, optical, and mechanical properties of nanostructured unsaturated polyester.

PubMed

Builes, Daniel H; Hernández-Ortiz, Juan P; Corcuera, Ma Angeles; Mondragon, Iñaki; Tercjak, Agnieszka

2014-01-22

Novel nanostructured unsaturated polyester resin-based thermosets, modified with poly(ethylene oxide) (PEO), poly(propylene oxide) (PPO), and two poly(ethylene oxide-b-propylene oxide-b-ethylene oxide) block copolymers (BCP), were developed and analyzed. The effects of molecular weights, blocks ratio, and curing temperatures on the final morphological, optical, and mechanical properties were reported. The block influence on the BCP miscibility was studied through uncured and cured mixtures of unsaturated polyester (UP) resins with PEO and PPO homopolymers having molecular weights similar to molecular weights of the blocks of BCP. The final morphology of the nanostructured thermosetting systems, containing BCP or homopolymers, was investigated, and multiple mechanisms of nanostructuration were listed and explained. By considering the miscibility of each block before and after curing, it was determined that the formation of the nanostructured matrices followed a self-assembly mechanism or a polymerization-induced phase separation mechanism. The miscibility between PEO or PPO blocks with one of two phases of UP matrix was highlighted due to its importance in the final thermoset properties. Relationships between the final morphology and thermoset optical and mechanical properties were examined. The mechanisms and physics behind the morphologies lead toward the design of highly transparent, nanostructured, and toughened thermosetting UP systems.

Viscous and gravitational fingering in multiphase compositional and compressible flow

NASA Astrophysics Data System (ADS)

Moortgat, Joachim

2016-03-01

Viscous and gravitational fingering refer to flow instabilities in porous media that are triggered by adverse mobility or density ratios, respectively. These instabilities have been studied extensively in the past for (1) single-phase flow (e.g., contaminant transport in groundwater, first-contact-miscible displacement of oil by gas in hydrocarbon production), and (2) multi-phase immiscible and incompressible flow (e.g., water-alternating-gas (WAG) injection in oil reservoirs). Fingering in multiphase compositional and compressible flow has received much less attention, perhaps due to its high computational complexity. However, many important subsurface processes involve multiple phases that exchange species. Examples are carbon sequestration in saline aquifers and enhanced oil recovery (EOR) by gas or WAG injection below the minimum miscibility pressure. In multiphase flow, relative permeabilities affect the mobility contrast for a given viscosity ratio. Phase behavior can also change local fluid properties, which can either enhance or mitigate viscous and gravitational instabilities. This work presents a detailed study of fingering behavior in compositional multiphase flow in two and three dimensions and considers the effects of (1) Fickian diffusion, (2) mechanical dispersion, (3) flow rates, (4) domain size and geometry, (5) formation heterogeneities, (6) gravity, and (7) relative permeabilities. Results show that fingering in compositional multiphase flow is profoundly different from miscible conditions and upscaling techniques used for the latter case are unlikely to be generalizable to the former.

Miscibility as a factor for component crystallization in multisolute frozen solutions.

PubMed

Izutsu, Ken-Ichi; Shibata, Hiroko; Yoshida, Hiroyuki; Goda, Yukihiro

2014-07-01

The relationship between the miscibility of formulation ingredients and their crystallization during the freezing segment of the lyophilization process was studied. The thermal properties of frozen solutions containing myo-inositol and cosolutes were obtained by performing heating scans from -70 °C before and after heat treatment at -20 °C to -5 °C. Addition of dextran 40,000 reduced and prevented crystallization of myo-inositol. In the first scan, some frozen solutions containing an inositol-rich mixture with dextran showed single broad transitions (Tg's: transition temperatures of maximally freeze-concentrated solutes) that indicated incomplete mixing of the concentrated amorphous solutes. Heat treatment of these frozen solutions induced separation of the solutes into inositol-dominant and solute mixture phases (Tg' splitting) following crystallization of myo-inositol (Tg' shifting). The crystal growth involved myo-inositol molecules in the solute mixture phase. The amorphous-amorphous phase separation and resulting loss of the heteromolecular interaction in the freeze-concentrated inositol-dominant phase should allow ordered assembly of the solute molecules required for nucleation. Some dextran-rich and intermediate concentration ratio frozen solutions retained single Tg's of the amorphous solute mixture, both before and after heat treatments. The relevance of solute miscibility on the crystallization of myo-inositol was also indicated in the systems containing glucose or recombinant human albumin. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Discovery and characterization of 3000+ main-sequence binaries from APOGEE spectra

NASA Astrophysics Data System (ADS)

El-Badry, Kareem; Ting, Yuan-Sen; Rix, Hans-Walter; Quataert, Eliot; Weisz, Daniel R.; Cargile, Phillip; Conroy, Charlie; Hogg, David W.; Bergemann, Maria; Liu, Chao

2018-05-01

We develop a data-driven spectral model for identifying and characterizing spatially unresolved multiple-star systems and apply it to APOGEE DR13 spectra of main-sequence stars. Binaries and triples are identified as targets whose spectra can be significantly better fit by a superposition of two or three model spectra, drawn from the same isochrone, than any single-star model. From an initial sample of ˜20 000 main-sequence targets, we identify ˜2500 binaries in which both the primary and secondary stars contribute detectably to the spectrum, simultaneously fitting for the velocities and stellar parameters of both components. We additionally identify and fit ˜200 triple systems, as well as ˜700 velocity-variable systems in which the secondary does not contribute detectably to the spectrum. Our model simplifies the process of simultaneously fitting single- or multi-epoch spectra with composite models and does not depend on a velocity offset between the two components of a binary, making it sensitive to traditionally undetectable systems with periods of hundreds or thousands of years. In agreement with conventional expectations, almost all the spectrally identified binaries with measured parallaxes fall above the main sequence in the colour-magnitude diagram. We find excellent agreement between spectrally and dynamically inferred mass ratios for the ˜600 binaries in which a dynamical mass ratio can be measured from multi-epoch radial velocities. We obtain full orbital solutions for 64 systems, including 14 close binaries within hierarchical triples. We make available catalogues of stellar parameters, abundances, mass ratios, and orbital parameters.

Variable-Length Computerized Adaptive Testing Using the Higher Order DINA Model

ERIC Educational Resources Information Center

Hsu, Chia-Ling; Wang, Wen-Chung

2015-01-01

Cognitive diagnosis models provide profile information about a set of latent binary attributes, whereas item response models yield a summary report on a latent continuous trait. To utilize the advantages of both models, higher order cognitive diagnosis models were developed in which information about both latent binary attributes and latent…

Monolithic composites of silica aerogels by reactive supercritical deposition of hydroxy-terminated poly(dimethylsiloxane).

PubMed

Sanli, D; Erkey, C

2013-11-27

Monolithic composites of silica aerogels with hydroxyl-terminated poly(dimethylsiloxane) (PDMS(OH)) were developed with a novel reactive supercritical deposition technique. The method involves dissolution of PDMS(OH) in supercritical CO2 (scCO2) and then exposure of the aerogel samples to this single phase mixture of PDMS(OH)-CO2. The demixing pressures of the PDMS(OH)-CO2 binary mixtures determined in this study indicated that PDMS(OH) forms miscible mixtures with CO2 at a wide composition range at easily accessible pressures. Upon supercritical deposition, the polymer molecules were discovered to react with the hydroxyl groups on the silica aerogel surface and form a conformal coating on the surface. The chemical attachment of the polymer molecules on the aerogel surface were verified by prolonged extraction with pure scCO2, simultaneous deposition with superhydrophobic and hydrophilic silica aerogel samples and ATR-FTIR analysis. All of the deposited silica aerogel samples were obtained as monoliths and retained their transparency up to around 30 wt % of mass uptake. PDMS(OH) molecules were found to penetrate all the way to the center of the monoliths and were distributed homogenously throughout the cylindrical aerogel samples. Polymer loadings as high as 75.4 wt % of the aerogel mass could be attained. It was shown that the polymer uptake increases with increasing exposure time, as well as the initial polymer concentration in the vessel.

Doubled-lined eclipsing binary system KIC~2306740 with pulsating component discovered from Kepler space photometry

NASA Astrophysics Data System (ADS)

Yakut, Kadri

2015-08-01

We present a detailed study of KIC 2306740, an eccentric double-lined eclipsing binary system with a pulsating component.Archive Kepler satellite data were combined with newly obtained spectroscopic data with 4.2\\,m William Herschel Telescope(WHT). This allowed us to determine rather precise orbital and physical parameters of this long period, slightly eccentric, pulsating binary system. Duplicity effects are extracted from the light curve in order to estimate pulsation frequencies from the residuals.We modelled the detached binary system assuming non-conservative evolution models with the Cambridge STARS(TWIN) code.

SU-E-T-554: Monte Carlo Calculation of Source Terms and Attenuation Lengths for Neutrons Produced by 50–200 MeV Protons On Brass

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ramos-Mendez, J; Faddegon, B; Paganetti, H

2015-06-15

Purpose: We used TOPAS (TOPAS wraps and extends Geant4 for medical physicists) to compare Geant4 physics models with published data for neutron shielding calculations. Subsequently, we calculated the source terms and attenuation lengths (shielding data) of the total ambient dose equivalent (TADE) in concrete for neutrons produced by protons in brass. Methods: Stage1: The Bertini and Binary nuclear models available in Geant4 were compared with published attenuation at depth of the TADE in concrete and iron. Stage2: Shielding data of the TADE in concrete was calculated for 50– 200 MeV proton beams on brass. Stage3: Shielding data from Stage2 wasmore » extrapolated for 235 MeV proton beams. This data was used in a point-line-source analytical model to calculate the ambient dose per unit therapeutic dose at two locations inside one treatment room at the Francis H Burr Proton Therapy Center. Finally, we compared these results with experimental data and full TOPAS simulations. Results: At larger angles (∼130o) the TADE in concrete calculated with the Bertini model was about 9 times larger than that calculated with the Binary model. The attenuation length in concrete calculated with the Binary model agreed with published data within 7%±0.4% (statistical uncertainty) for the deepest regions and 5%±0.1% for shallower regions. For iron the agreement was within 3%±0.1%. The ambient dose per therapeutic dose calculated with the Binary model, relative to the experimental data, was a ratio of 0.93±0.16 and 1.23±0.24 for two locations. The analytical model overestimated the dose by four orders of magnitude. These differences are attributed to the complexity of the geometry. Conclusion: The Binary and Bertini models gave comparable results, with the Binary model giving the best agreement with published data at large angle. Shielding data we calculated using the Binary model is useful for fast shielding calculations with other analytical models. This work was supported by National Cancer Institute Grant R01CA140735.« less

Orbital synchronization capture of two binaries emitting gravitational waves

NASA Astrophysics Data System (ADS)

Seto, Naoki

2018-03-01

We study the possibility of orbital synchronization capture for a hierarchical quadrupole stellar system composed by two binaries emitting gravitational waves. Based on a simple model including the mass transfer for white dwarf binaries, we find that the capture might be realized for inter-binary distances less than their gravitational wavelength. We also discuss related intriguing phenomena such as a parasitic relation between the coupled white dwarf binaries and significant reductions of gravitational and electromagnetic radiations.

DIFFERENT DYNAMICAL AGES FOR THE TWO YOUNG AND COEVAL LMC STAR CLUSTERS, NGC 1805 AND NGC 1818, IMPRINTED ON THEIR BINARY POPULATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Geller, Aaron M.; Grijs, Richard de; Li, Chengyuan

2015-05-20

The two Large Magellanic Cloud star clusters, NGC 1805 and NGC 1818, are approximately the same chronological age (∼30 Myr), but show different radial trends in binary frequency. The F-type stars (1.3–2.2 M{sub ⊙}) in NGC 1818 have a binary frequency that decreases toward the core, while the binary frequency for stars of similar mass in NGC 1805 is flat with radius, or perhaps bimodal (with a peak in the core). We show here, through detailed N-body modeling, that both clusters could have formed with the same primordial binary frequency and with binary orbital elements and masses drawn from themore » same distributions (defined from observations of open clusters and the field of our Galaxy). The observed radial trends in binary frequency for both clusters are best matched with models that have initial substructure. Furthermore, both clusters may be evolving along a very similar dynamical sequence, with the key difference that NGC 1805 is dynamically older than NGC 1818. The F-type binaries in NGC 1818 still show evidence of an initial period of rapid dynamical disruptions (which occur preferentially in the core), while NGC 1805 has already begun to recover a higher core binary frequency, owing to mass segregation (which will eventually produce a distribution in binary frequency that rises only toward the core, as is observed in old Milky Way star clusters). This recovery rate increases for higher-mass binaries, and therefore even at one age in one cluster, we predict a similar dynamical sequence in the radial distribution of the binary frequency as a function of binary primary mass.« less

Complementary Constrains on Component based Multiphase Flow Problems, Should It Be Implemented Locally or Globally?

NASA Astrophysics Data System (ADS)

Shao, H.; Huang, Y.; Kolditz, O.

2015-12-01

Multiphase flow problems are numerically difficult to solve, as it often contains nonlinear Phase transition phenomena A conventional technique is to introduce the complementarity constraints where fluid properties such as liquid saturations are confined within a physically reasonable range. Based on such constraints, the mathematical model can be reformulated into a system of nonlinear partial differential equations coupled with variational inequalities. They can be then numerically handled by optimization algorithms. In this work, two different approaches utilizing the complementarity constraints based on persistent primary variables formulation[4] are implemented and investigated. The first approach proposed by Marchand et.al[1] is using "local complementary constraints", i.e. coupling the constraints with the local constitutive equations. The second approach[2],[3] , namely the "global complementary constrains", applies the constraints globally with the mass conservation equation. We will discuss how these two approaches are applied to solve non-isothermal componential multiphase flow problem with the phase change phenomenon. Several benchmarks will be presented for investigating the overall numerical performance of different approaches. The advantages and disadvantages of different models will also be concluded. References[1] E.Marchand, T.Mueller and P.Knabner. Fully coupled generalized hybrid-mixed finite element approximation of two-phase two-component flow in porous media. Part I: formulation and properties of the mathematical model, Computational Geosciences 17(2): 431-442, (2013). [2] A. Lauser, C. Hager, R. Helmig, B. Wohlmuth. A new approach for phase transitions in miscible multi-phase flow in porous media. Water Resour., 34,(2011), 957-966. [3] J. Jaffré, and A. Sboui. Henry's Law and Gas Phase Disappearance. Transp. Porous Media. 82, (2010), 521-526. [4] A. Bourgeat, M. Jurak and F. Smaï. Two-phase partially miscible flow and transport modeling in porous media : application to gas migration in a nuclear waste repository, Comp.Geosciences. (2009), Volume 13, Number 1, 29-42.

Application of the Double-Tangent Construction of Coexisting Phases to Any Type of Phase Equilibrium for Binary Systems Modeled with the Gamma-Phi Approach

ERIC Educational Resources Information Center

Jaubert, Jean-Noël; Privat, Romain

2014-01-01

The double-tangent construction of coexisting phases is an elegant approach to visualize all the multiphase binary systems that satisfy the equality of chemical potentials and to select the stable state. In this paper, we show how to perform the double-tangent construction of coexisting phases for binary systems modeled with the gamma-phi…

Performance and separation occurrence of binary probit regression estimator using maximum likelihood method and Firths approach under different sample size

NASA Astrophysics Data System (ADS)

Lusiana, Evellin Dewi

2017-12-01

The parameters of binary probit regression model are commonly estimated by using Maximum Likelihood Estimation (MLE) method. However, MLE method has limitation if the binary data contains separation. Separation is the condition where there are one or several independent variables that exactly grouped the categories in binary response. It will result the estimators of MLE method become non-convergent, so that they cannot be used in modeling. One of the effort to resolve the separation is using Firths approach instead. This research has two aims. First, to identify the chance of separation occurrence in binary probit regression model between MLE method and Firths approach. Second, to compare the performance of binary probit regression model estimator that obtained by MLE method and Firths approach using RMSE criteria. Those are performed using simulation method and under different sample size. The results showed that the chance of separation occurrence in MLE method for small sample size is higher than Firths approach. On the other hand, for larger sample size, the probability decreased and relatively identic between MLE method and Firths approach. Meanwhile, Firths estimators have smaller RMSE than MLEs especially for smaller sample sizes. But for larger sample sizes, the RMSEs are not much different. It means that Firths estimators outperformed MLE estimator.

Low temperature synthesis of Ru-Cu alloy nanoparticles with the compositions in the miscibility gap

NASA Astrophysics Data System (ADS)

Martynova, S. A.; Filatov, E. Yu.; Korenev, S. V.; Kuratieva, N. V.; Sheludyakova, L. A.; Plusnin, P. E.; Shubin, Yu. V.; Slavinskaya, E. M.; Boronin, A. I.

2014-04-01

A complex salt [Ru(NH3)5Cl][Cu(C2O4)2H2O]-the precursor of nanoalloys combining ruthenium and copper was prepared. It crystallizes in the monoclinic space group P21/n. Thermal properties of the prepared salt were examined in different atmospheres (helium, hydrogen, oxygen). Thermal decomposition of the precursor in inert atmosphere was thoroughly examined and the intermediate products were characterized. Experimental conditions for preparation of copper-rich (up to 12 at% of copper) metastable solid solution CuxRu1-x (based on Ru structure) were optimized, what is in sharp contrast to the bimetallic miscibility gap known for the bulk counterparts in a wide composition range. Catalytic properties of copper-ruthenium oxide composite were tested in catalytic oxidation of CO.

Liquid Phase Miscibility Gap Materials

NASA Technical Reports Server (NTRS)

Gelles, S. H.; Markworth, A. J.

1985-01-01

The manner in which the microstructural features of liquid-phase miscibility gap alloys develop was determined. This will allow control of the microstructures and the resultant properties of these alloys. The long-duration low gravity afforded by the shuttle will allow experiments supporting this research to be conducted with minimal interference from buoyancy effects and gravitationally driven convection currents. Ground base studies were conducted on Al-In, Cu-Pb, and Te-Tl alloys to determine the effect of cooling rate, composition, and interfacial energies on the phase separation and solidification processes that influence the development of microstructure in these alloys. Isothermal and directional cooling experiments and simulations are conducted. The ground based activities are used as a technological base from which flight experiments formulated and to which these flight experiments are compared.

Interface instabilities during displacements of two miscible fluids in a vertical pipe

NASA Astrophysics Data System (ADS)

Scoffoni, J.; Lajeunesse, E.; Homsy, G. M.

2001-03-01

We study experimentally the downward vertical displacement of one miscible fluid by another in a vertical pipe at sufficiently high velocities for diffusive effects to be negligible. For certain viscosity ratios and flow rates, the interface between the two fluids can destabilize. We determine the dimensionless flow rate Uc above which the instability is triggered and its dependence on the viscous ratio M, resulting in a stability map Uc=Uc(M). Two different instability modes have been observed: an asymmetric "corkscrew" mode and an axisymmetric one. We remark that the latter is always eventually disturbed by "corkscrew" type instabilities. We speculate that these instabilities are driven by the viscosity stratification and are analogous to those already observed in core annular flows of immiscible fluids.

Investigations on transparent liquid-miscibility gap systems

NASA Technical Reports Server (NTRS)

Lacy, L. L.; Nishioka, G.; Ross, S.

1979-01-01

Sedimentation and phase separation is a well known occurrence in monotectic or miscibility gap alloys. Previous investigations indicate that it may be possible to prepare such alloys in a low-gravity space environment but recent experiments indicate that there may be nongravity dependent phase separation processes which can hinder the formation of such alloys. Such phase separation processes are studied using transparent liquid systems and holography. By reconstructing holograms into a commercial-particle-analysis system, real time computer analysis can be performed on emulsions with diameters in the range of 5 micrometers or greater. Thus dynamic effects associated with particle migration and coalescence can be studied. Characterization studies on two selected immiscible systems including an accurate determination of phase diagrams, surface and interfacial tension measurements, surface excess and wetting behavior near critical solution temperatures completed.

Overview of a compre­hensive resource database for the assessment of recoverable hydrocarbons produced by carbon dioxide enhanced oil recovery

USGS Publications Warehouse

Carolus, Marshall; Biglarbigi, Khosrow; Warwick, Peter D.; Attanasi, Emil D.; Freeman, Philip A.; Lohr, Celeste D.

2017-10-24

A database called the “Comprehensive Resource Database” (CRD) was prepared to support U.S. Geological Survey (USGS) assessments of technically recoverable hydrocarbons that might result from the injection of miscible or immiscible carbon dioxide (CO2) for enhanced oil recovery (EOR). The CRD was designed by INTEK Inc., a consulting company under contract to the USGS. The CRD contains data on the location, key petrophysical properties, production, and well counts (number of wells) for the major oil and gas reservoirs in onshore areas and State waters of the conterminous United States and Alaska. The CRD includes proprietary data on petrophysical properties of fields and reservoirs from the “Significant Oil and Gas Fields of the United States Database,” prepared by Nehring Associates in 2012, and proprietary production and drilling data from the “Petroleum Information Data Model Relational U.S. Well Data,” prepared by IHS Inc. in 2012. This report describes the CRD and the computer algorithms used to (1) estimate missing reservoir property values in the Nehring Associates (2012) database, and to (2) generate values of additional properties used to characterize reservoirs suitable for miscible or immiscible CO2 flooding for EOR. Because of the proprietary nature of the data and contractual obligations, the CRD and actual data from Nehring Associates (2012) and IHS Inc. (2012) cannot be presented in this report.

4-D High-Resolution Seismic Reflection Monitoring of Miscible CO2 Injected into a Carbonate Reservoir

DOE Office of Scientific and Technical Information (OSTI.GOV)

Richard D. Miller; Abdelmoneam E. Raef; Alan P. Byrnes

2007-06-30

The objective of this research project was to acquire, process, and interpret multiple high-resolution 3-D compressional wave and 2-D, 2-C shear wave seismic data in the hopes of observing changes in fluid characteristics in an oil field before, during, and after the miscible carbon dioxide (CO{sub 2}) flood that began around December 1, 2003, as part of the DOE-sponsored Class Revisit Project (DOE No.DE-AC26-00BC15124). Unique and key to this imaging activity is the high-resolution nature of the seismic data, minimal deployment design, and the temporal sampling throughout the flood. The 900-m-deep test reservoir is located in central Kansas oomoldic limestonesmore » of the Lansing-Kansas City Group, deposited on a shallow marine shelf in Pennsylvanian time. After 30 months of seismic monitoring, one baseline and eight monitor surveys clearly detected changes that appear consistent with movement of CO{sub 2} as modeled with fluid simulators and observed in production data. Attribute analysis was a very useful tool in enhancing changes in seismic character present, but difficult to interpret on time amplitude slices. Lessons learned from and tools/techniques developed during this project will allow high-resolution seismic imaging to be routinely applied to many CO{sub 2} injection programs in a large percentage of shallow carbonate oil fields in the midcontinent.« less

Dipeptide-based Polyphosphazene and Polyester Blends for Bone Tissue Engineering

PubMed Central

Deng, Meng; Nair, Lakshmi S.; Nukavarapu, Syam P.; Jiang, Tao; Kanner, William A.; Li, Xudong; Kumbar, Sangamesh G.; Weikel, Arlin L.; Krogman, Nicholas R.; Allcock, Harry R.; Laurencin, Cato T.

2010-01-01

Polyphosphazene-polyester blends are attractive materials for bone tissue engineering applications due to their controllable degradation pattern with non-toxic and neutral pH degradation products. In our ongoing quest for an ideal completely miscible polyphosphazene-polyester blend system, we report synthesis and characterization of a mixed-substituent biodegradable polyphosphazene poly[(glycine ethyl glycinato)1(phenyl phenoxy)1phosphazene] (PNGEG/PhPh) and its blends with a polyester. Two dipeptide-based blends namely 25:75 (Matrix1) and 50:50 (Matrix2) were produced at two different weight ratios of PNGEG/PhPh to poly(lactic acid-glycolic acid) (PLAGA). Blend miscibility was confirmed by differential scanning calorimetry, Fourier transform infrared spectroscopy, and scanning electron microscopy. Both blends resulted in higher tensile modulus and strength than the polyester. The blends showed a degradation rate in the order of Matrix2 < Matrix1 < PLAGA in phosphate buffered saline at 37°C over 12 weeks. Significantly higher pH values of degradation media were observed for blends compared to PLAGA confirming the neutralization of PLAGA acidic degradation by polyphosphazene hydrolysis products. The blend components PLAGA and polyphosphazene exhibited a similar degradation pattern as characterized by the molecular weight loss. Furthermore, blends demonstrated significantly higher osteoblast growth rates compared to PLAGA while maintaining osteoblast phenotype over a 21-day culture. Both blends demonstrated improved biocompatibility in a rat subcutaneous implantation model compared to PLAGA over 12 weeks. PMID:20334909

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

PubMed Central

Amin, Purnima

2014-01-01

Invasive antifungal infections are reasons for morbidity and mortality in immunogenic patients worldwide. Posaconazole is a most promising antifungal agent against all types of invasive infections with high % of cure rate. The marketed suspension formulation has low bioavailability and is needed to be taken with food. In this paper, PCZ hot melt extruded amorphous solid dispersion (SD) with immediate release and improved bioavailability was prepared using Soluplus (Sol) as primary carrier for solubilization. Surfactants such as PEG 400, Lutrol F27, Lutrol F68, and TPGS are also used in combination with Soluplus to improve the physicochemical performance of the formulation when it comes in contact with GI (gastrointestinal) fluid. Drug-polymer miscibility of SD was investigated using advanced techniques. In the in vivo study, the AUC(0–72) and Cmax of PCZ/Soluplus were 11.5 and 11.74 time higher than those of pure PCZ. The formulation of the extrudate SD had an AUC(0–72) and Cmax higher than those with the commercial capsule (Noxafil). Molecular dynamic (MD) simulation studies were carried out using in silico molecular modelling to understand the drug-polymer intermolecular behaviour. The results of this research ensure enhanced dissolution and bioavailability of the solid dispersion of PCZ prepared by HME compared with the PCZ suspension. PMID:25143935

In situ high temperature X-Ray diffraction study of the phase equilibria in the UO2-PuO2-Pu2O3 system

NASA Astrophysics Data System (ADS)

Belin, Renaud C.; Strach, Michal; Truphémus, Thibaut; Guéneau, Christine; Richaud, Jean-Christophe; Rogez, Jacques

2015-10-01

The region of the U-Pu-O phase diagram delimited by the compounds UO2-PuO2-Pu2O3 is known to exhibit a miscibility gap at low temperature. Consequently, MOX fuels with a composition entering this region could decompose into two fluorite phases and thus exhibit chemical heterogeneities. The experimental data on this domain found in the literature are scarce and usually provided using DTA that is not suitable for the investigation of such decomposition phenomena. In the present work, new experimental data, i.e. crystallographic phases, lattice parameters, phase fractions and temperature of phase separation, were measured in the composition range 0.14 < Pu/(U + Pu) < 0.62 and 1.85 < O/(U + Pu) < 2 from 298 to 1750 K using a novel in situ high temperature X-ray diffraction apparatus. A very good agreement is found between the temperature of phase separation determined from our results and using the thermodynamic model of the U-Pu-O system based on the CALPHAD method. Also, the combined use of thermodynamic calculations and XRD results refinement proved helpful in the determination of the O/M ratio of the samples during cooling. The methodology used in the current work might be useful to investigate other oxides systems exhibiting a miscibility gap.

The nightmare scenario: measuring the stochastic gravitational wave background from stalling massive black hole binaries with pulsar timing arrays

NASA Astrophysics Data System (ADS)

Dvorkin, Irina; Barausse, Enrico

2017-10-01

Massive black hole binaries, formed when galaxies merge, are among the primary sources of gravitational waves targeted by ongoing pulsar timing array (PTA) experiments and the upcoming space-based Laser Interferometer Space Antenna (LISA) interferometer. However, their formation and merger rates are still highly uncertain. Recent upper limits on the stochastic gravitational wave background obtained by PTAs are starting to be in marginal tension with theoretical models for the pairing and orbital evolution of these systems. This tension can be resolved by assuming that these binaries are more eccentric or interact more strongly with the environment (gas and stars) than expected, or by accounting for possible selection biases in the construction of the theoretical models. However, another (pessimistic) possibility is that these binaries do not merge at all, but stall at large (˜pc) separations. We explore this extreme scenario by using a semi-analytic galaxy formation model including massive black holes (isolated and in binaries), and show that future generations of PTAs will detect the stochastic gravitational wave background from the massive black hole binary population within 10-15 yr of observations, even in the `nightmare scenario' in which all binaries stall at the hardening radius. Moreover, we argue that this scenario is too pessimistic, because our model predicts the existence of a subpopulation of binaries with small mass ratios (q ≲ 10-3) that should merge within a Hubble time simply as a result of gravitational wave emission. This subpopulation will be observable with large signal-to-noise ratios by future PTAs thanks to next-generation radio telescopes such as Square Kilometre Array or Five-hundred-meter Aperture Spherical Telescope, and possibly by LISA.

Memory-Based Simple Heuristics as Attribute Substitution: Competitive Tests of Binary Choice Inference Models.

PubMed

Honda, Hidehito; Matsuka, Toshihiko; Ueda, Kazuhiro

2017-05-01

Some researchers on binary choice inference have argued that people make inferences based on simple heuristics, such as recognition, fluency, or familiarity. Others have argued that people make inferences based on available knowledge. To examine the boundary between heuristic and knowledge usage, we examine binary choice inference processes in terms of attribute substitution in heuristic use (Kahneman & Frederick, 2005). In this framework, it is predicted that people will rely on heuristic or knowledge-based inference depending on the subjective difficulty of the inference task. We conducted competitive tests of binary choice inference models representing simple heuristics (fluency and familiarity heuristics) and knowledge-based inference models. We found that a simple heuristic model (especially a familiarity heuristic model) explained inference patterns for subjectively difficult inference tasks, and that a knowledge-based inference model explained subjectively easy inference tasks. These results were consistent with the predictions of the attribute substitution framework. Issues on usage of simple heuristics and psychological processes are discussed. Copyright © 2016 Cognitive Science Society, Inc.

Effect of eccentricity on searches for gravitational waves from coalescing compact binaries in ground-based detectors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, Duncan A.; Zimmerman, Peter J.

2010-01-15

Inspiralling compact binaries are expected to circularize before their gravitational-wave signals reach the sensitive frequency band of ground-based detectors. Current searches for gravitational waves from compact binaries using the LIGO and Virgo detectors therefore use circular templates to construct matched filters. Binary formation models have been proposed which suggest that some systems detectable by the LIGO-Virgo network may have non-negligible eccentricity. We investigate the ability of the restricted 3.5 post-Newtonian order TaylorF2 template bank, used by LIGO and Virgo to search for gravitational waves from compact binaries with masses M{<=}35M{sub {center_dot},} to detect binaries with nonzero eccentricity. We model themore » gravitational waves from eccentric binaries using the x-model post-Newtonian formalism proposed by Hinder et al.[I. Hinder, F. Hermann, P. Laguna, and D. Shoemaker, arXiv:0806.1037v1]. We find that small residual eccentricities (e{sub 0} < or approx. 0.05 at 40 Hz) do not significantly affect the ability of current LIGO searches to detect gravitational waves from coalescing compact binaries with total mass 2M{sub {center_dot}<}M<15M{sub {center_dot}.} For eccentricities e{sub 0} > or approx. 0.1, the loss in matched filter signal-to-noise ratio due to eccentricity can be significant and so templates which include eccentric effects will be required to perform optimal searches for such systems.« less

Indoor Astronomy: A Model Eclipsing Binary Star System.

ERIC Educational Resources Information Center

Bloomer, Raymond H., Jr.

1979-01-01

Describes a two-hour physics laboratory experiment modeling the phenomena of eclipsing binary stars developed by the Air Force Academy as part of a week-long laboratory-oriented experience for visiting high school students. (BT)

A Pulsar and White Dwarf in an Unexpected Orbit

NASA Astrophysics Data System (ADS)

Kohler, Susanna

2016-11-01

Astronomers have discovered a binary system consisting of a low-mass white dwarf and a millisecond pulsar but its eccentric orbit defies all expectations of how such binaries form.Observed orbital periods and binary eccentricities for binary millisecond pulsars. PSR J2234+0511 is the furthest right of the green stars that mark the five known eccentric systems. [Antoniadis et al. 2016]Unusual EccentricityIt would take a low-mass (0.4 solar masses) white dwarf over 100 billion years to form from the evolution of a single star. Since this is longer than the age of the universe, we believe that these lightweights are instead products of binary-star evolution and indeed, we observe many of these stars to still be in binary systems.But the binary evolution that can create a low-mass white dwarf includes a period of mass transfer, in which efficient tidal dissipation damps the systems orbital eccentricity. Because of this, we would expect all systems containing low-mass white dwarfs to have circular orbits.In the past, our observations of low-mass white dwarfmillisecond pulsar binaries have all been consistent with this expectation. But a new detection has thrown a wrench in the works: the unambiguous identification of a low-mass white dwarf thats in an eccentric (e=0.13) orbit with the millisecond pulsar PSR J2234+0511. How could this system have formed?Eliminating Formation ModelsLed by John Antoniadis (Dunlap Institute at University of Toronto), a team of scientists has used newly obtained optical photometry (from the Sloan Digital Sky Survey) and spectroscopy (from the Very Large Telescope in Chile) of the white dwarf to confirm the identification of this system.Antoniadis and collaborators then use measurements of the bodies masses (0.28 and 1.4 solar masses for the white dwarf and pulsar, respectively) and velocities, and constraints on the white dwarfs temperature, radius and surface gravity, to address three proposed models for the formation of this system.The 3D motion of the pulsar (black solid lines; current position marked with diamond) in our galaxy over the past 1.5 Gyr. This motion is typical for low-mass X-ray binary descendants, favoring a binary-evolution model over a 3-body-interaction model. [Antoniadis et al. 2016]In the first model, the eccentric binary was created via adynamic three-body formation channel. This possibility is deemed unlikely, as the white-dwarf properties and all the kinematic properties of the system point to normal binary evolution.In the secondmodel, the binary system gains its high eccentricity after mass transfer ends, when the pulsar progenitor experiences a spontaneous phase transition. The authors explore two options for this: one in which the neutron star implodes into a strange-quark star, and the other in which an over-massive white dwarf suffers a delayed collapse into a neutron star. Both cases are deemed unlikely, because the mass inferred for the pulsar progenitor is not consistent with either model.In the third model, the system forms a circumbinary disk fueled by material escaping the proto-white dwarf. After mass transfer has ended, interactions between the binary and its disk gradually increase the eccentricity of the system, pumping it up to what we observe today. All of the properties of the system measured by Antoniadis and collaborators are thus far consistent with this model.Further observations of this system and systems like it (several others have been detected, though not yet confirmed) will help determine whether binary evolution combined with interactions with a disk can indeed explain the formation of this unexpectedly eccentricsystem.CitationJohn Antoniadis et al 2016 ApJ 830 36. doi:10.3847/0004-637X/830/1/36

Estimating gravitational radiation from super-emitting compact binary systems

NASA Astrophysics Data System (ADS)

Hanna, Chad; Johnson, Matthew C.; Lehner, Luis

2017-06-01

Binary black hole mergers are among the most violent events in the Universe, leading to extreme warping of spacetime and copious emission of gravitational radiation. Even though black holes are the most compact objects they are not necessarily the most efficient emitters of gravitational radiation in binary systems. The final black hole resulting from a binary black hole merger retains a significant fraction of the premerger orbital energy and angular momentum. A nonvacuum system can in principle shed more of this energy than a black hole merger of equivalent mass. We study these super-emitters through a toy model that accounts for the possibility that the merger creates a compact object that retains a long-lived time-varying quadrupole moment. This toy model may capture the merger of (low mass) neutron stars, but it may also be used to consider more exotic compact binaries. We hope that this toy model can serve as a guide to more rigorous numerical investigations into these systems.

Compact Objects In Binary Systems: Formation and Evolution of X-ray Binaries and Tides in Double White Dwarfs

NASA Astrophysics Data System (ADS)

Valsecchi, Francesca

Binary star systems hosting black holes, neutron stars, and white dwarfs are unique laboratories for investigating both extreme physical conditions, and stellar and binary evolution. Black holes and neutron stars are observed in X-ray binaries, where mass accretion from a stellar companion renders them X-ray bright. Although instruments like Chandra have revolutionized the field of X-ray binaries, our theoretical understanding of their origin and formation lags behind. Progress can be made by unravelling the evolutionary history of observed systems. As part of my thesis work, I have developed an analysis method that uses detailed stellar models and all the observational constraints of a system to reconstruct its evolutionary path. This analysis models the orbital evolution from compact-object formation to the present time, the binary orbital dynamics due to explosive mass loss and a possible kick at core collapse, and the evolution from the progenitor's Zero Age Main Sequence to compact-object formation. This method led to a theoretical model for M33 X-7, one of the most massive X-ray binaries known and originally marked as an evolutionary challenge. Compact objects are also expected gravitational wave (GW) sources. In particular, double white dwarfs are both guaranteed GW sources and observed electromagnetically. Although known systems show evidence of tidal deformation and a successful GW astronomy requires realistic models of the sources, detached double white dwarfs are generally approximated to point masses. For the first time, I used realistic models to study tidally-driven periastron precession in eccentric binaries. I demonstrated that its imprint on the GW signal yields constrains on the components' masses and that the source would be misclassified if tides are neglected. Beyond this adiabatic precession, tidal dissipation creates a sink of orbital angular momentum. Its efficiency is strongest when tides are dynamic and excite the components' free oscillation modes. Accounting for this effect will determine whether our interpretation of current and future observations will constrain the sources' true physical properties. To investigate dynamic tides I have developed CAFein, a novel code that calculates forced non-adiabatic stellar oscillations using a highly stable and efficient numerical method.

Inferring Binary and Trinary Stellar Populations in Photometric and Astrometric Surveys

NASA Astrophysics Data System (ADS)

Widmark, Axel; Leistedt, Boris; Hogg, David W.

2018-04-01

Multiple stellar systems are ubiquitous in the Milky Way but are often unresolved and seen as single objects in spectroscopic, photometric, and astrometric surveys. However, modeling them is essential for developing a full understanding of large surveys such as Gaia and connecting them to stellar and Galactic models. In this paper, we address this problem by jointly fitting the Gaia and Two Micron All Sky Survey photometric and astrometric data using a data-driven Bayesian hierarchical model that includes populations of binary and trinary systems. This allows us to classify observations into singles, binaries, and trinaries, in a robust and efficient manner, without resorting to external models. We are able to identify multiple systems and, in some cases, make strong predictions for the properties of their unresolved stars. We will be able to compare such predictions with Gaia Data Release 4, which will contain astrometric identification and analysis of binary systems.

Equilibrium points and associated periodic orbits in the gravity of binary asteroid systems: (66391) 1999 KW4 as an example

NASA Astrophysics Data System (ADS)

Shi, Yu; Wang, Yue; Xu, Shijie

2018-04-01

The motion of a massless particle in the gravity of a binary asteroid system, referred as the restricted full three-body problem (RF3BP), is fundamental, not only for the evolution of the binary system, but also for the design of relevant space missions. In this paper, equilibrium points and associated periodic orbit families in the gravity of a binary system are investigated, with the binary (66391) 1999 KW4 as an example. The polyhedron shape model is used to describe irregular shapes and corresponding gravity fields of the primary and secondary of (66391) 1999 KW4, which is more accurate than the ellipsoid shape model in previous studies and provides a high-fidelity representation of the gravitational environment. Both of the synchronous and non-synchronous states of the binary system are considered. For the synchronous binary system, the equilibrium points and their stability are determined, and periodic orbit families emanating from each equilibrium point are generated by using the shooting (multiple shooting) method and the homotopy method, where the homotopy function connects the circular restricted three-body problem and RF3BP. In the non-synchronous binary system, trajectories of equivalent equilibrium points are calculated, and the associated periodic orbits are obtained by using the homotopy method, where the homotopy function connects the synchronous and non-synchronous systems. Although only the binary (66391) 1999 KW4 is considered, our methods will also be well applicable to other binary systems with polyhedron shape data. Our results on equilibrium points and associated periodic orbits provide general insights into the dynamical environment and orbital behaviors in proximity of small binary asteroids and enable the trajectory design and mission operations in future binary system explorations.

Role of medium heterogeneity and viscosity contrast in miscible flow regimes and mixing zone growth: A computational pore-scale approach

NASA Astrophysics Data System (ADS)

Afshari, Saied; Hejazi, S. Hossein; Kantzas, Apostolos

2018-05-01

Miscible displacement of fluids in porous media is often characterized by the scaling of the mixing zone length with displacement time. Depending on the viscosity contrast of fluids, the scaling law varies between the square root relationship, a sign for dispersive transport regime during stable displacement, and the linear relationship, which represents the viscous fingering regime during an unstable displacement. The presence of heterogeneities in a porous medium significantly affects the scaling behavior of the mixing length as it interacts with the viscosity contrast to control the mixing of fluids in the pore space. In this study, the dynamics of the flow and transport during both unit and adverse viscosity ratio miscible displacements are investigated in heterogeneous packings of circular grains using pore-scale numerical simulations. The pore-scale heterogeneity level is characterized by the variations of the grain diameter and velocity field. The growth of mixing length is employed to identify the nature of the miscible transport regime at different viscosity ratios and heterogeneity levels. It is shown that as the viscosity ratio increases to higher adverse values, the scaling law of mixing length gradually shifts from dispersive to fingering nature up to a certain viscosity ratio and remains almost the same afterwards. In heterogeneous media, the mixing length scaling law is observed to be generally governed by the variations of the velocity field rather than the grain size. Furthermore, the normalization of mixing length temporal plots with respect to the governing parameters of viscosity ratio, heterogeneity, medium length, and medium aspect ratio is performed. The results indicate that mixing length scales exponentially with log-viscosity ratio and grain size standard deviation while the impact of aspect ratio is insignificant. For stable flows, mixing length scales with the square root of medium length, whereas it changes linearly with length during unstable flows. This scaling procedure allows us to describe the temporal variation of mixing length using a generalized curve for various combinations of the flow conditions and porous medium properties.

Miscibility, chain packing, and hydration of 1-palmitoyl-2-oleoyl phosphatidylcholine and other lipids in surface phases.

PubMed

Smaby, J M; Brockman, H L

1985-11-01

The miscibility of 1-palmitoyl-2-oleoyl phosphatidylcholine with triolein, 1,2-diolein, 1,3-diolein, 1(3)-monoolein, oleyl alcohol, methyl oleate, oleic acid, and oleyl cyanide (18:1 lipids) was studied at the argon-water interface. The isothermal phase diagrams for the mixtures at 24 degrees were characterized by two compositional regions. At the limit of miscibility with lower mol fractions of 18:1 lipid, the surface pressure was composition-independent, but above a mixture-specific stoichiometry, surface pressure at the limit of miscibility was composition-dependent. From the two-dimensional phase rule, it was determined that at low mol fractions of 18:1 lipids, the surface consisted of phospholipid and a preferred packing array or complex of phospholipid and 18:1 lipid, whereas, above the stoichiometry of the complex, the surface phase consisted of complex and excess 18:1 lipids. In both regions of the phase diagram, mixing along the phase boundary was apparently ideal allowing application of an equation of state described earlier (J. M. Smaby and H. L. Brockman, 1984, Biochemistry, 23:3312-3316). From such analysis, apparent partial molecular areas and hydrations for phospholipid, complex, and 18:1 lipid were obtained. Comparison of these calculated parameters for the complexed and uncomplexed states shows that the aliphatic moieties behave independently of polar head group. The transition of each 18:1 chain to the complexed state involves the loss of about one interfacial water molecule and its corresponding area. For 18:1 lipids with more than one chain another two water molecules per additional chain are present in both states but contribute little to molecular area. In contrast to 18:1 lipids, the phospholipid area and hydration change little upon complexation. The uniformity of chain packing and hydration behavior among 18:1 lipid species contrasts with complex stoichiometries that vary from 0.04 to 0.65. This suggests that the stoichiometry of the preferred packing array is determined by interactions involving the more polar moieties of the 18:1 lipids and the phospholipid.

DISCOVERY OF A HIGHLY UNEQUAL-MASS BINARY T DWARF WITH KECK LASER GUIDE STAR ADAPTIVE OPTICS: A COEVALITY TEST OF SUBSTELLAR THEORETICAL MODELS AND EFFECTIVE TEMPERATURES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Michael C.; Dupuy, Trent J.; Leggett, S. K., E-mail: mliu@ifa.hawaii.ed

Highly unequal-mass ratio binaries are rare among field brown dwarfs, with the mass ratio distribution of the known census described by q {sup (4.9{+-}0.7)}. However, such systems enable a unique test of the joint accuracy of evolutionary and atmospheric models, under the constraint of coevality for the individual components (the 'isochrone test'). We carry out this test using two of the most extreme field substellar binaries currently known, the T1 + T6 {epsilon} Ind Bab binary and a newly discovered 0.''14 T2.0 + T7.5 binary, 2MASS J12095613-1004008AB, identified with Keck laser guide star adaptive optics. The latter is the mostmore » extreme tight binary resolved to date (q {approx} 0.5). Based on the locations of the binary components on the Hertzsprung-Russell (H-R) diagram, current models successfully indicate that these two systems are coeval, with internal age differences of log(age) = -0.8 {+-} 1.3(-1.0{sup +1.2}{sub -1.3}) dex and 0.5{sup +0.4}{sub -0.3}(0.3{sup +0.3}{sub -0.4}) dex for 2MASS J1209-1004AB and {epsilon} Ind Bab, respectively, as inferred from the Lyon (Tucson) models. However, the total mass of {epsilon} Ind Bab derived from the H-R diagram ({approx} 80 M{sub Jup} using the Lyon models) is strongly discrepant with the reported dynamical mass. This problem, which is independent of the assumed age of the {epsilon} Ind Bab system, can be explained by a {approx} 50-100 K systematic error in the model atmosphere fitting, indicating slightly warmer temperatures for both components; bringing the mass determinations from the H-R diagram and the visual orbit into consistency leads to an inferred age of {approx} 6 Gyr for {epsilon} Ind Bab, older than previously assumed. Overall, the two T dwarf binaries studied here, along with recent results from T dwarfs in age and mass benchmark systems, yield evidence for small ({approx}100 K) errors in the evolutionary models and/or model atmospheres, but not significantly larger. Future parallax, resolved spectroscopy, and dynamical mass measurements for 2MASS J1209-1004AB will enable a more stringent application of the isochrone test. Finally, the binary nature of this object reduces its utility as the primary T3 near-IR spectral typing standard; we suggest SDSS J1206+2813 as a replacement.« less

The incidence of stellar mergers and mass gainers among massive stars

DOE Office of Scientific and Technical Information (OSTI.GOV)

De Mink, S. E.; Sana, H.; Langer, N.

2014-02-10

Because the majority of massive stars are born as members of close binary systems, populations of massive main-sequence stars contain stellar mergers and products of binary mass transfer. We simulate populations of massive stars accounting for all major binary evolution effects based on the most recent binary parameter statistics and extensively evaluate the effect of model uncertainties. Assuming constant star formation, we find that 8{sub −4}{sup +9}% of a sample of early-type stars are the products of a merger resulting from a close binary system. In total we find that 30{sub −15}{sup +10}% of massive main-sequence stars are the productsmore » of binary interaction. We show that the commonly adopted approach to minimize the effects of binaries on an observed sample by excluding systems detected as binaries through radial velocity campaigns can be counterproductive. Systems with significant radial velocity variations are mostly pre-interaction systems. Excluding them substantially enhances the relative incidence of mergers and binary products in the non-radial velocity variable sample. This poses a challenge for testing single stellar evolutionary models. It also raises the question of whether certain peculiar classes of stars, such as magnetic O stars, are the result of binary interaction and it emphasizes the need to further study the effect of binarity on the diagnostics that are used to derive the fundamental properties (star-formation history, initial mass function, mass-to-light ratio) of stellar populations nearby and at high redshift.« less

Dynamics of rotationally fissioned asteroids: Source of observed small asteroid systems

NASA Astrophysics Data System (ADS)

Jacobson, Seth A.; Scheeres, Daniel J.

2011-07-01

We present a model of near-Earth asteroid (NEA) rotational fission and ensuing dynamics that describes the creation of synchronous binaries and all other observed NEA systems including: doubly synchronous binaries, high- e binaries, ternary systems, and contact binaries. Our model only presupposes the Yarkovsky-O'Keefe-Radzievskii-Paddack (YORP) effect, "rubble pile" asteroid geophysics, and gravitational interactions. The YORP effect torques a "rubble pile" asteroid until the asteroid reaches its fission spin limit and the components enter orbit about each other (Scheeres, D.J. [2007]. Icarus 189, 370-385). Non-spherical gravitational potentials couple the spin states to the orbit state and chaotically drive the system towards the observed asteroid classes along two evolutionary tracks primarily distinguished by mass ratio. Related to this is a new binary process termed secondary fission - the secondary asteroid of the binary system is rotationally accelerated via gravitational torques until it fissions, thus creating a chaotic ternary system. The initially chaotic binary can be stabilized to create a synchronous binary by components of the fissioned secondary asteroid impacting the primary asteroid, solar gravitational perturbations, and mutual body tides. These results emphasize the importance of the initial component size distribution and configuration within the parent asteroid. NEAs may go through multiple binary cycles and many YORP-induced rotational fissions during their approximately 10 Myr lifetime in the inner Solar System. Rotational fission and the ensuing dynamics are responsible for all NEA systems including the most commonly observed synchronous binaries.

Calcium Carbonate Crystal Growth in Porous Media, in the presence of Water Miscible and Non-Miscible Organic Fluids

NASA Astrophysics Data System (ADS)

Jaho, Sofia; Sygouni, Varvara; Paraskeva, Christakis A.

2015-04-01

The deposition of sparingly soluble salts (scaling) within porous media is a major problem encountered in many industrial and environmental applications. In the oil industry scaling causes severe operational malfunctions and, therefore, increasing the total operating and maintenance cost [1]. The most common types of sparingly soluble salts located in oil fields include carbonate and sulfate salts of calcium, strondium and barium[1,2]. Multiple phase flow and tubing surface properties are some of the factors affecting scale formation [3]. The main purpose of the present work was the investigation of the precipitation mechanisms of calcium carbonate (CaCO3) through in situ mixing of two soluble salt solutions in a flow granular medium, in the presence of water miscible organic fluid (ethylene glycol) or non-miscible organic fluid (n-dodecane). All series of experiments were carried out in a two dimensional porous medium made of Plexiglas. For all solutions used in the experiments, the contact angles with the surface of the porous medium and the interfacial tensions were measured. During the experiments, the calcium carbonate crystal growth was continuously monitored and recorded through an optical microscope equipped with a digital programmed video camera. The snap-shots were taken within specific time intervals and their detailed procession gave information concerning the crystal growth rate and kinetics. The pH of the effluent was measured and fluids samples were collected for calcium analysis using Atomic Absorption Spectroscopy (AAS). In all experiments effluent calcium concentration decreased as a function of time, suggesting that CaCO3 precipitation took place inside the porous medium. Crystals of the precipitated salt were identified using Infrared Spectroscopy (IR) and the morphology of the crystals was examined using Scanning Electron Microscopy (SEM). The induction time for precipitation of CaCO3 crystals in the presence of n-dodecane was significantly reduced compared to the induction time where no oil phase was present. The interface of n-dodecane and supersaturated solutions seems to be very active and favored the formation of the CaCO3 crystalline enhancing the heterogeneous nucleation which generally demands a decreased energy barrier. Acknowledgments This research was partially funded by the European Union (European Social Fund-ESF) and Greek National Funds through the Operational Program "Education and Lifelong Learning" under the action Aristeia II (Code No4420). References 1. Merdhah A. B. and Yassin A. A., Scale formation in oil reservoir during water injection at high-salinity formation water, Journal of Applied Sciences, 7, 3198-3207 (2007). 2. Moghadasi J., Muller-Steinhagen H., Jamialahmadi M. and Sharif A., Model study on the kinetics of oil field formation damage due to salt precipitation from injection, Journal of Petroleum Science and Engineering, 43, 201-217 (2004). 3. Nancollas G. H. and Reddy M. M., The crystallization of calcium carbonate II. Calcite growth mechanism, Journal of Colloid and Interface Science, 37, 824-830 (1971).

Radial Velocities of 41 Kepler Eclipsing Binaries

NASA Astrophysics Data System (ADS)

Matson, Rachel A.; Gies, Douglas R.; Guo, Zhao; Williams, Stephen J.

2017-12-01

Eclipsing binaries are vital for directly determining stellar parameters without reliance on models or scaling relations. Spectroscopically derived parameters of detached and semi-detached binaries allow us to determine component masses that can inform theories of stellar and binary evolution. Here we present moderate resolution ground-based spectra of stars in close binary systems with and without (detected) tertiary companions observed by NASA’s Kepler mission and analyzed for eclipse timing variations. We obtain radial velocities and spectroscopic orbits for five single-lined and 35 double-lined systems, and confirm one false positive eclipsing binary. For the double-lined spectroscopic binaries, we also determine individual component masses and examine the mass ratio {M}2/{M}1 distribution, which is dominated by binaries with like-mass pairs and semi-detached classical Algol systems that have undergone mass transfer. Finally, we constrain the mass of the tertiary component for five double-lined binaries with previously detected companions.

Mass transfer in white dwarf-neutron star binaries

NASA Astrophysics Data System (ADS)

Bobrick, Alexey; Davies, Melvyn B.; Church, Ross P.

2017-05-01

We perform hydrodynamic simulations of mass transfer in binaries that contain a white dwarf and a neutron star (WD-NS binaries), and measure the specific angular momentum of material lost from the binary in disc winds. By incorporating our results within a long-term evolution model, we measure the long-term stability of mass transfer in these binaries. We find that only binaries containing helium white dwarfs (WDs) with masses less than a critical mass of MWD, crit = 0.2 M⊙ undergo stable mass transfer and evolve into ultracompact X-ray binaries. Systems with higher mass WDs experience unstable mass transfer, which leads to tidal disruption of the WD. Our low critical mass compared to the standard jet-only model of mass-loss arises from the efficient removal of angular momentum in the mechanical disc winds, which develop at highly super-Eddington mass-transfer rates. We find that the eccentricities expected for WD-NS binaries when they come into contact do not affect the loss of angular momentum, and can only affect the long-term evolution if they change on shorter time-scales than the mass-transfer rate. Our results are broadly consistent with the observed numbers of both ultracompact X-ray binaries and radio pulsars with WD companions. The observed calcium-rich gap transients are consistent with the merger rate of unstable systems with higher mass WDs.

Binary black hole mergers from globular clusters: Masses, merger rates, and the impact of stellar evolution

NASA Astrophysics Data System (ADS)

Rodriguez, Carl L.; Chatterjee, Sourav; Rasio, Frederic A.

2016-04-01

The recent discovery of GW150914, the binary black hole merger detected by Advanced LIGO, has the potential to revolutionize observational astrophysics. But to fully utilize this new window into the Universe, we must compare these new observations to detailed models of binary black hole formation throughout cosmic time. Expanding upon our previous work [C. L. Rodriguez, M. Morscher, B. Pattabiraman, S. Chatterjee, C.-J. Haster, and F. A. Rasio, Phys. Rev. Lett. 115, 051101 (2015).], we study merging binary black holes formed in globular clusters using our Monte Carlo approach to stellar dynamics. We have created a new set of 52 cluster models with different masses, metallicities, and radii to fully characterize the binary black hole merger rate. These models include all the relevant dynamical processes (such as two-body relaxation, strong encounters, and three-body binary formation) and agree well with detailed direct N -body simulations. In addition, we have enhanced our stellar evolution algorithms with updated metallicity-dependent stellar wind and supernova prescriptions, allowing us to compare our results directly to the most recent population synthesis predictions for merger rates from isolated binary evolution. We explore the relationship between a cluster's global properties and the population of binary black holes that it produces. In particular, we derive a numerically calibrated relationship between the merger times of ejected black hole binaries and a cluster's mass and radius. With our improved treatment of stellar evolution, we find that globular clusters can produce a significant population of massive black hole binaries that merge in the local Universe. We explore the masses and mass ratios of these binaries as a function of redshift, and find a merger rate of ˜5 Gpc-3yr-1 in the local Universe, with 80% of sources having total masses from 32 M⊙ to 64 M⊙. Under standard assumptions, approximately one out of every seven binary black hole mergers in the local Universe will have originated in a globular cluster, but we also explore the sensitivity of this result to different assumptions for binary stellar evolution. If black holes were born with significant natal kicks, comparable to those of neutron stars, then the merger rate of binary black holes from globular clusters would be comparable to that from the field, with approximately 1 /2 of mergers originating in clusters. Finally we point out that population synthesis results for the field may also be modified by dynamical interactions of binaries taking place in dense star clusters which, unlike globular clusters, dissolved before the present day.

Thermodynamic models for vapor-liquid equilibria of nitrogen + oxygen + carbon dioxide at low temperatures

NASA Astrophysics Data System (ADS)

Vrabec, Jadran; Kedia, Gaurav Kumar; Buchhauser, Ulrich; Meyer-Pittroff, Roland; Hasse, Hans

2009-02-01

For the design and optimization of CO 2 recovery from alcoholic fermentation processes by distillation, models for vapor-liquid equilibria (VLE) are needed. Two such thermodynamic models, the Peng-Robinson equation of state (EOS) and a model based on Henry's law constants, are proposed for the ternary mixture N 2 + O 2 + CO 2. Pure substance parameters of the Peng-Robinson EOS are taken from the literature, whereas the binary parameters of the Van der Waals one-fluid mixing rule are adjusted to experimental binary VLE data. The Peng-Robinson EOS describes both binary and ternary experimental data well, except at high pressures approaching the critical region. A molecular model is validated by simulation using binary and ternary experimental VLE data. On the basis of this model, the Henry's law constants of N 2 and O 2 in CO 2 are predicted by molecular simulation. An easy-to-use thermodynamic model, based on those Henry's law constants, is developed to reliably describe the VLE in the CO 2-rich region.

A Unidimensional Item Response Model for Unfolding Responses from a Graded Disagree-Agree Response Scale.

ERIC Educational Resources Information Center

Roberts, James S.; Laughlin, James E.

1996-01-01

A parametric item response theory model for unfolding binary or graded responses is developed. The graded unfolding model (GUM) is a generalization of the hyperbolic cosine model for binary data of D. Andrich and G. Luo (1993). Applicability of the GUM to attitude testing is illustrated with real data. (SLD)

Least Squares Distance Method of Cognitive Validation and Analysis for Binary Items Using Their Item Response Theory Parameters

ERIC Educational Resources Information Center

Dimitrov, Dimiter M.

2007-01-01

The validation of cognitive attributes required for correct answers on binary test items or tasks has been addressed in previous research through the integration of cognitive psychology and psychometric models using parametric or nonparametric item response theory, latent class modeling, and Bayesian modeling. All previous models, each with their…

KOI-3278: a self-lensing binary star system.

PubMed

Kruse, Ethan; Agol, Eric

2014-04-18

Over 40% of Sun-like stars are bound in binary or multistar systems. Stellar remnants in edge-on binary systems can gravitationally magnify their companions, as predicted 40 years ago. By using data from the Kepler spacecraft, we report the detection of such a "self-lensing" system, in which a 5-hour pulse of 0.1% amplitude occurs every orbital period. The white dwarf stellar remnant and its Sun-like companion orbit one another every 88.18 days, a long period for a white dwarf-eclipsing binary. By modeling the pulse as gravitational magnification (microlensing) along with Kepler's laws and stellar models, we constrain the mass of the white dwarf to be ~63% of the mass of our Sun. Further study of this system, and any others discovered like it, will help to constrain the physics of white dwarfs and binary star evolution.

The Eclipsing Central Stars of the Planetary Nebulae Lo 16 and PHR J1040-5417

NASA Astrophysics Data System (ADS)

Hillwig, Todd C.; Frew, David; Jones, David; Crispo, Danielle

2017-01-01

Binary central stars of planetary nebula are a valuable tool in understanding common envelope evolution. In these cases both the resulting close binary system and the expanding envelope (the planetary nebula) can be studied directly. In order to compare observed systems with common envelope evolution models we need to determine precise physical parameters of the binaries and the nebulae. Eclipsing central stars provide us with the best opportunity to determine high precision values for mass, radius, and temperature of the component stars in these close binaries. We present photometry and spectroscopy for two of these eclipsing systems; the central stars of Lo 16 and PHR 1040-5417. Using light curves and radial velocity curves along with binary modeling we provide physical parameters for the stars in both of these systems.

Population of Nuclei Via 7Li-Induced Binary Reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clark, Rodney M.; Phair, Larry W.; Descovich, M.

2005-08-08

The authors have investigated the population of nuclei formed in binary reactions involving {sup 7}Li beams on targets of {sup 160}Gd and {sup 184}W. The {sup 7}Li + {sup 184}W data were taken in the first experiment using the LIBERACE Ge-array in combination with the STARS Si {Delta}E-E telescope system at the 88-Inch Cyclotron of the Lawrence Berkeley National Laboratory. By using the Wilczynski binary transfer model, in combination with a standard evaporation model, they are able to reproduce the experimental results. This is a useful method for predicting the population of neutron-rich heavy nuclei formed in binary reactions involvingmore » beams of weakly bound nuclei formed in binary reactions involving beams of weakly bound nuclei and will be of use in future spectroscopic studies.« less

Calculating Mass Diffusion in High-Pressure Binary Fluids

NASA Technical Reports Server (NTRS)

Bellan, Josette; Harstad, Kenneth

2004-01-01

A comprehensive mathematical model of mass diffusion has been developed for binary fluids at high pressures, including critical and supercritical pressures. Heretofore, diverse expressions, valid for limited parameter ranges, have been used to correlate high-pressure binary mass-diffusion-coefficient data. This model will likely be especially useful in the computational simulation and analysis of combustion phenomena in diesel engines, gas turbines, and liquid rocket engines, wherein mass diffusion at high pressure plays a major role.

Coevolution of Binaries and Circumbinary Gaseous Disks

NASA Astrophysics Data System (ADS)

Fleming, David; Quinn, Thomas R.

2018-04-01

The recent discoveries of circumbinary planets by Kepler raise questions for contemporary planet formation models. Understanding how these planets form requires characterizing their formation environment, the circumbinary protoplanetary disk, and how the disk and binary interact. The central binary excites resonances in the surrounding protoplanetary disk that drive evolution in both the binary orbital elements and in the disk. To probe how these interactions impact both binary eccentricity and disk structure evolution, we ran N-body smooth particle hydrodynamics (SPH) simulations of gaseous protoplanetary disks surrounding binaries based on Kepler 38 for 10^4 binary orbital periods for several initial binary eccentricities. We find that nearly circular binaries weakly couple to the disk via a parametric instability and excite disk eccentricity growth. Eccentric binaries strongly couple to the disk causing eccentricity growth for both the disk and binary. Disks around sufficiently eccentric binaries strongly couple to the disk and develop an m = 1 spiral wave launched from the 1:3 eccentric outer Lindblad resonance (EOLR). This wave corresponds to an alignment of gas particle longitude of periastrons. We find that in all simulations, the binary semi-major axis decays due to dissipation from the viscous disk.

Electrospun Polymer Blend Nanofibers for Tunable Drug Delivery: The Role of Transformative Phase Separation on Controlling the Release Rate.

PubMed

Tipduangta, Pratchaya; Belton, Peter; Fábián, László; Wang, Li Ying; Tang, Huiru; Eddleston, Mark; Qi, Sheng

2016-01-04

Electrospun fibrous materials have a wide range of biomedical applications, many of them involving the use of polymers as matrices for incorporation of therapeutic agents. The use of polymer blends improves the tuneability of the physicochemical and mechanical properties of the drug loaded fibers. This also benefits the development of controlled drug release formulations, for which the release rate can be modified by altering the ratio of the polymers in the blend. However, to realize these benefits, a clear understanding of the phase behavior of the processed polymer blend is essential. This study reports an in depth investigation of the impact of the electrospinning process on the phase separation of a model partially miscible polymer blend, PVP K90 and HPMCAS, in comparison to other conventional solvent evaporation based processes including film casting and spin coating. The nanoscale stretching and ultrafast solvent removal of electrospinning lead to an enhanced apparent miscibility between the polymers, with the same blends showing micronscale phase separation when processed using film casting and spin coating. Nanoscale phase separation in electrospun blend fibers was confirmed in the dry state. Rapid, layered, macroscale phase separation of the two polymers occurred during the wetting of the fibers. This led to a biphasic drug release profile from the fibers, with a burst release from PVP-rich phases and a slower, more continuous release from HPMCAS-rich phases. It was noted that the model drug, paracetamol, had more favorable partitioning into the PVP-rich phase, which is likely to be a result of greater hydrogen bonding between PVP and paracetamol. This led to higher drug contents in the PVP-rich phases than the HPMCAS-rich phases. By alternating the proportions of the PVP and HPMCAS, the drug release rate can be modulated.

Notes: Water Flow and Chemical Retardation in Soils: A Simple Effective Laboratory Demonstration.

ERIC Educational Resources Information Center

Bowman, R. S.; And Others

1988-01-01

Describes a laboratory demonstration that illustrates principles of miscible displacement and chemical retardation in soils. Discusses how the experimental apparatus can be constructed from readily available materials. (TW)

Silicate and Carbonatite Melts in the Mantle: Adding CO2 to the pMELTS Thermodynamic Model of Silicate Phase Equilibria

NASA Astrophysics Data System (ADS)

Antoshechkina, P. M.; Shorttle, O.

2016-12-01

The current rhyolite-MELTS algorithm includes a mixed H2O-CO2 vapor phase, and a self-consistent speciation model for CO2 and CaCO3 in the silicate liquid (Ghiorso & Gualda 2012; 2015). Although intended primarily to model crustal differentiation and degassing, GG15 captures much of the experimentally-observed melting behavior of CO2-rich mafic lithologies, including generation of small-degree carbonatite melts, a miscibility gap between carbonatite and silicate liquids at low P and a smooth transition to a single carbonated-silicate melt at high P (e.g. Dasgupta et al. 2007). However, solid and liquid carbonate phases were not used in calibration of GG15, and it is suitable only for P < 3 GPa. We present a preliminary model, based on pMELTS (Ghiorso et al. 2002), for melting of nominally-anhydrous carbonated peridotite and pyroxenite. In Antoshechkina et al. (2015; and references therein) we developed a scheme for calibration of molar volumes that directly interfaces with a MySQL database, adapted from LEPR (Hirschmann et al. 2008). Here, we further extend our database, e.g. to include multiple carbonate phases, and combine the calibration scheme with the libalphaMELTS interface to the rhyolite-MELTS, pMELTS, and H2O-CO2 fluid thermodynamic models (see magmasource.caltech.edu/alphamelts). We use a Monte-Carlo type calibration approach to fit the observed phases and compositions, though stop short of a fully Bayesian formulation. The CO2-fluid experimental database has been updated to include more recent and higher P studies, adding approximately 40 pure fluid plus liquid constraints that conform to the selection criteria used in GG15. To further expand the database, we plan to use some or all of: solid carbonate-bearing experiments; coexisting silicate and carbonatite liquids; phase-present, and phase-absent constraints. As a first approximation, we include four carbonate phases: pure calcite and aragonite, and binary solutions for dolomite-ankerite and magnesite-siderite. Following GG15, we have adopted the CO2 fluid model of Duan & Zhang (2006) and added CO2 and CaCO3 species to the pMELTS liquid model. A key question that we hope to address during calibration is whether a Na2CO3 liquid species is justified instead of, or in addition to, CaCO3 for the range over which pMELTS is calibrated (1 < P < 4 GPa).

Binary logistic regression-Instrument for assessing museum indoor air impact on exhibits.

PubMed

Bucur, Elena; Danet, Andrei Florin; Lehr, Carol Blaziu; Lehr, Elena; Nita-Lazar, Mihai

2017-04-01

This paper presents a new way to assess the environmental impact on historical artifacts using binary logistic regression. The prediction of the impact on the exhibits during certain pollution scenarios (environmental impact) was calculated by a mathematical model based on the binary logistic regression; it allows the identification of those environmental parameters from a multitude of possible parameters with a significant impact on exhibitions and ranks them according to their severity effect. Air quality (NO 2 , SO 2 , O 3 and PM 2.5 ) and microclimate parameters (temperature, humidity) monitoring data from a case study conducted within exhibition and storage spaces of the Romanian National Aviation Museum Bucharest have been used for developing and validating the binary logistic regression method and the mathematical model. The logistic regression analysis was used on 794 data combinations (715 to develop of the model and 79 to validate it) by a Statistical Package for Social Sciences (SPSS 20.0). The results from the binary logistic regression analysis demonstrated that from six parameters taken into consideration, four of them present a significant effect upon exhibits in the following order: O 3 >PM 2.5 >NO 2 >humidity followed at a significant distance by the effects of SO 2 and temperature. The mathematical model, developed in this study, correctly predicted 95.1 % of the cumulated effect of the environmental parameters upon the exhibits. Moreover, this model could also be used in the decisional process regarding the preventive preservation measures that should be implemented within the exhibition space. The paper presents a new way to assess the environmental impact on historical artifacts using binary logistic regression. The mathematical model developed on the environmental parameters analyzed by the binary logistic regression method could be useful in a decision-making process establishing the best measures for pollution reduction and preventive preservation of exhibits.

Adiabatic Mass Loss Model in Binary Stars

NASA Astrophysics Data System (ADS)

Ge, H. W.

2012-07-01

Rapid mass transfer process in the interacting binary systems is very complicated. It relates to two basic problems in the binary star evolution, i.e., the dynamically unstable Roche-lobe overflow and the common envelope evolution. Both of the problems are very important and difficult to be modeled. In this PhD thesis, we focus on the rapid mass loss process of the donor in interacting binary systems. The application to the criterion of dynamically unstable mass transfer and the common envelope evolution are also included. Our results based on the adiabatic mass loss model could be used to improve the binary evolution theory, the binary population synthetic method, and other related aspects. We build up the adiabatic mass loss model. In this model, two approximations are included. The first one is that the energy generation and heat flow through the stellar interior can be neglected, hence the restructuring is adiabatic. The second one is that he stellar interior remains in hydrostatic equilibrium. We model this response by constructing model sequences, beginning with a donor star filling its Roche lobe at an arbitrary point in its evolution, holding its specific entropy and composition profiles fixed. These approximations are validated by the comparison with the time-dependent binary mass transfer calculations and the polytropic model for low mass zero-age main-sequence stars. In the dynamical time scale mass transfer, the adiabatic response of the donor star drives it to expand beyond its Roche lobe, leading to runaway mass transfer and the formation of a common envelope with its companion star. For donor stars with surface convection zones of any significant depth, this runaway condition is encountered early in mass transfer, if at all; but for main sequence stars with radiative envelopes, it may be encountered after a prolonged phase of thermal time scale mass transfer, so-called delayed dynamical instability. We identify the critical binary mass ratio for the onset of dynamical time scale mass transfer; if the ratio of donor to accretor masses exceeds this critical value, the dynamical time scale mass transfer ensues. The grid of criterion for all stars can be used to be the basic input as the binary population synthetic method, which will be improved absolutely. In common envelope evolution, the dissipation of orbital energy of the binary provides the energy to eject the common envelope; the energy budget for this process essentially consists of the initial orbital energy of the binary and the initial binding energies of the binary components. We emphasize that, because stellar core and envelope contribute mutually to each other's gravitational potential energy, proper evaluation of the total energy of a star requires integration over the entire stellar interior, not the ejected envelope alone as commonly assumed. We show that the change in total energy of the donor star, as a function of its remaining mass along an adiabatic mass-loss sequence, can be calculated. This change in total energy of the donor star, combined with the requirement that both remnant donor and its companion star fit within their respective Roche lobes, then circumscribes energetically possible survivors of common envelope evolution. It is the first time that we can calculate the accurate total energy of the donor star in common envelope evolution, while the results with the old method are inconsistent with observations.

The Impact of Sample Size and Other Factors When Estimating Multilevel Logistic Models

ERIC Educational Resources Information Center

Schoeneberger, Jason A.

2016-01-01

The design of research studies utilizing binary multilevel models must necessarily incorporate knowledge of multiple factors, including estimation method, variance component size, or number of predictors, in addition to sample sizes. This Monte Carlo study examined the performance of random effect binary outcome multilevel models under varying…

Currency Arbitrage Detection Using a Binary Integer Programming Model

ERIC Educational Resources Information Center

Soon, Wanmei; Ye, Heng-Qing

2011-01-01

In this article, we examine the use of a new binary integer programming (BIP) model to detect arbitrage opportunities in currency exchanges. This model showcases an excellent application of mathematics to the real world. The concepts involved are easily accessible to undergraduate students with basic knowledge in Operations Research. Through this…

The Binary System Laboratory Activities Based on Students Mental Model

NASA Astrophysics Data System (ADS)

Albaiti, A.; Liliasari, S.; Sumarna, O.; Martoprawiro, M. A.

2017-09-01

Generic science skills (GSS) are required to develop student conception in learning binary system. The aim of this research was to know the improvement of students GSS through the binary system labotoratory activities based on their mental model using hypothetical-deductive learning cycle. It was a mixed methods embedded experimental model research design. This research involved 15 students of a university in Papua, Indonesia. Essay test of 7 items was used to analyze the improvement of students GSS. Each items was designed to interconnect macroscopic, sub-microscopic and symbolic levels. Students worksheet was used to explore students mental model during investigation in laboratory. The increase of students GSS could be seen in their N-Gain of each GSS indicators. The results were then analyzed descriptively. Students mental model and GSS have been improved from this study. They were interconnect macroscopic and symbolic levels to explain binary systems phenomena. Furthermore, they reconstructed their mental model with interconnecting the three levels of representation in Physical Chemistry. It necessary to integrate the Physical Chemistry Laboratory into a Physical Chemistry course for effectiveness and efficiency.

A GDP-driven model for the binary and weighted structure of the International Trade Network

NASA Astrophysics Data System (ADS)

Almog, Assaf; Squartini, Tiziano; Garlaschelli, Diego

2015-01-01

Recent events such as the global financial crisis have renewed the interest in the topic of economic networks. One of the main channels of shock propagation among countries is the International Trade Network (ITN). Two important models for the ITN structure, the classical gravity model of trade (more popular among economists) and the fitness model (more popular among networks scientists), are both limited to the characterization of only one representation of the ITN. The gravity model satisfactorily predicts the volume of trade between connected countries, but cannot reproduce the missing links (i.e. the topology). On the other hand, the fitness model can successfully replicate the topology of the ITN, but cannot predict the volumes. This paper tries to make an important step forward in the unification of those two frameworks, by proposing a new gross domestic product (GDP) driven model which can simultaneously reproduce the binary and the weighted properties of the ITN. Specifically, we adopt a maximum-entropy approach where both the degree and the strength of each node are preserved. We then identify strong nonlinear relationships between the GDP and the parameters of the model. This ultimately results in a weighted generalization of the fitness model of trade, where the GDP plays the role of a ‘macroeconomic fitness’ shaping the binary and the weighted structure of the ITN simultaneously. Our model mathematically explains an important asymmetry in the role of binary and weighted network properties, namely the fact that binary properties can be inferred without the knowledge of weighted ones, while the opposite is not true.

Self-Supervised Video Hashing With Hierarchical Binary Auto-Encoder.

PubMed

Song, Jingkuan; Zhang, Hanwang; Li, Xiangpeng; Gao, Lianli; Wang, Meng; Hong, Richang

2018-07-01

Existing video hash functions are built on three isolated stages: frame pooling, relaxed learning, and binarization, which have not adequately explored the temporal order of video frames in a joint binary optimization model, resulting in severe information loss. In this paper, we propose a novel unsupervised video hashing framework dubbed self-supervised video hashing (SSVH), which is able to capture the temporal nature of videos in an end-to-end learning to hash fashion. We specifically address two central problems: 1) how to design an encoder-decoder architecture to generate binary codes for videos and 2) how to equip the binary codes with the ability of accurate video retrieval. We design a hierarchical binary auto-encoder to model the temporal dependencies in videos with multiple granularities, and embed the videos into binary codes with less computations than the stacked architecture. Then, we encourage the binary codes to simultaneously reconstruct the visual content and neighborhood structure of the videos. Experiments on two real-world data sets show that our SSVH method can significantly outperform the state-of-the-art methods and achieve the current best performance on the task of unsupervised video retrieval.

Self-Supervised Video Hashing With Hierarchical Binary Auto-Encoder

NASA Astrophysics Data System (ADS)

Song, Jingkuan; Zhang, Hanwang; Li, Xiangpeng; Gao, Lianli; Wang, Meng; Hong, Richang

2018-07-01

Existing video hash functions are built on three isolated stages: frame pooling, relaxed learning, and binarization, which have not adequately explored the temporal order of video frames in a joint binary optimization model, resulting in severe information loss. In this paper, we propose a novel unsupervised video hashing framework dubbed Self-Supervised Video Hashing (SSVH), that is able to capture the temporal nature of videos in an end-to-end learning-to-hash fashion. We specifically address two central problems: 1) how to design an encoder-decoder architecture to generate binary codes for videos; and 2) how to equip the binary codes with the ability of accurate video retrieval. We design a hierarchical binary autoencoder to model the temporal dependencies in videos with multiple granularities, and embed the videos into binary codes with less computations than the stacked architecture. Then, we encourage the binary codes to simultaneously reconstruct the visual content and neighborhood structure of the videos. Experiments on two real-world datasets (FCVID and YFCC) show that our SSVH method can significantly outperform the state-of-the-art methods and achieve the currently best performance on the task of unsupervised video retrieval.

Dynamical evolution of a fictitious population of binary Neptune Trojans

NASA Astrophysics Data System (ADS)

Brunini, Adrián

2018-03-01

We present numerical simulations of the evolution of a synthetic population of Binary Neptune Trojans, under the influence of the solar perturbations and tidal friction (the so-called Kozai cycles and tidal friction evolution). Our model includes the dynamical influence of the four giant planets on the heliocentric orbit of the binary centre of mass. In this paper, we explore the evolution of initially tight binaries around the Neptune L4 Lagrange point. We found that the variation of the heliocentric orbital elements due to the libration around the Lagrange point introduces significant changes in the orbital evolution of the binaries. Collisional processes would not play a significant role in the dynamical evolution of Neptune Trojans. After 4.5 × 109 yr of evolution, ˜50 per cent of the synthetic systems end up separated as single objects, most of them with slow diurnal rotation rate. The final orbital distribution of the surviving binary systems is statistically similar to the one found for Kuiper Belt Binaries when collisional evolution is not included in the model. Systems composed by a primary and a small satellite are more fragile than the ones composed by components of similar sizes.

A globally accurate theory for a class of binary mixture models

NASA Astrophysics Data System (ADS)

Dickman, Adriana G.; Stell, G.

The self-consistent Ornstein-Zernike approximation results for the 3D Ising model are used to obtain phase diagrams for binary mixtures described by decorated models, yielding the plait point, binodals, and closed-loop coexistence curves for the models proposed by Widom, Clark, Neece, and Wheeler. The results are in good agreement with series expansions and experiments.

Theoretical studies of binaries in astrophysics

NASA Astrophysics Data System (ADS)

Dischler, Johann Sebastian

This thesis introduces and summarizes four papers dealing with computer simulations of astrophysical processes involving binaries. The first part gives the rational and theoretical background to these papers. In paper I and II a statistical approach to studying eclipsing binaries is described. By using population synthesis models for binaries the probabilities for eclipses are calculated for different luminosity classes of binaries. These are compared with Hipparcos data and they agree well if one uses a standard input distribution for the orbit sizes. If one uses a random pairing model, where both companions are independently picked from an IMF, one finds too feclipsing binaries by an order of magnitude. In paper III we investigate a possible scenario for the origin of the stars observed close to the centre of our galaxy, called S stars. We propose that a cluster falls radially cowards the central black hole. The binaries within the cluster can then, if they have small impact parameters, be broken up by the black hole's tidal held and one of the components of the binary will be captured by the black hole. Paper IV investigates how the onset of mass transfer in eccentric binaries depends on the eccentricity. To do this we have developed a new two-phase SPH scheme where very light particles are at tire outer edge of our simulated star. This enables us to get a much better resolution of the very small mass that is transferred in close binaries. Our simulations show that the minimum required distance between the stars to have mass transfer decreases with the eccentricity.

Coupled Modeling of Flow, Transport, and Deformation during Hydrodynamically Unstable Displacement in Fractured Rocks

NASA Astrophysics Data System (ADS)

Jha, B.; Juanes, R.

2015-12-01

Coupled processes of flow, transport, and deformation are important during production of hydrocarbons from oil and gas reservoirs. Effective design and implementation of enhanced recovery techniques such as miscible gas flooding and hydraulic fracturing requires modeling and simulation of these coupled proceses in geologic porous media. We develop a computational framework to model the coupled processes of flow, transport, and deformation in heterogeneous fractured rock. We show that the hydrocarbon recovery efficiency during unstable displacement of a more viscous oil with a less viscous fluid in a fractured medium depends on the mechanical state of the medium, which evolves due to permeability alteration within and around fractures. We show that fully accounting for the coupling between the physical processes results in estimates of the recovery efficiency in agreement with observations in field and lab experiments.

Stability of binaries. Part 1: Rigid binaries

NASA Astrophysics Data System (ADS)

Sharma, Ishan

2015-09-01

We consider the stability of binary asteroids whose members are possibly granular aggregates held together by self-gravity alone. A binary is said to be stable whenever each member is orbitally and structurally stable to both orbital and structural perturbations. To this end, we extend the stability test for rotating granular aggregates introduced by Sharma (Sharma, I. [2012]. J. Fluid Mech., 708, 71-99; Sharma, I. [2013]. Icarus, 223, 367-382; Sharma, I. [2014]. Icarus, 229, 278-294) to the case of binary systems comprised of rubble members. In part I, we specialize to the case of a binary with rigid members subjected to full three-dimensional perturbations. Finally, we employ the stability test to critically appraise shape models of four suspected binary systems, viz., 216 Kleopatra, 25143 Itokawa, 624 Hektor and 90 Antiope.

Comparison of the binary logistic and skewed logistic (Scobit) models of injury severity in motor vehicle collisions.

PubMed

Tay, Richard

2016-03-01

The binary logistic model has been extensively used to analyze traffic collision and injury data where the outcome of interest has two categories. However, the assumption of a symmetric distribution may not be a desirable property in some cases, especially when there is a significant imbalance in the two categories of outcome. This study compares the standard binary logistic model with the skewed logistic model in two cases in which the symmetry assumption is violated in one but not the other case. The differences in the estimates, and thus the marginal effects obtained, are significant when the assumption of symmetry is violated. Copyright © 2015 Elsevier Ltd. All rights reserved.

Estimation of the Viscosities of Liquid Sn-Based Binary Lead-Free Solder Alloys

NASA Astrophysics Data System (ADS)

Wu, Min; Li, Jinquan

2018-01-01

The viscosity of a binary Sn-based lead-free solder alloy was calculated by combining the predicted model with the Miedema model. The viscosity factor was proposed and the relationship between the viscosity and surface tension was analyzed as well. The investigation result shows that the viscosity of Sn-based lead-free solders predicted from the predicted model shows excellent agreement with the reported values. The viscosity factor is determined by three physical parameters: atomic volume, electronic density, and electro-negativity. In addition, the apparent correlation between the surface tension and viscosity of the binary Sn-based Pb-free solder was obtained based on the predicted model.

Vapour phase growth and characterization of II-VI mixed crystals

NASA Astrophysics Data System (ADS)

Reddy, D. R.; Reddy, B. K.

1992-02-01

All II-VI semiconductors with melting temperatures well above 1000 degree(s)C and with appreciable congruent vaporization well below their melting temperatures leave little scope for any growth technique except for the slow but efficient vaporphase growth method. Theoretical flaw in diffusion models of vapor phase growth was corrected by Factor and Garrett by incorporating the flow velocity term which otherwise would lead to segregation of constituents. An additional degree of freedom arising from the presence of two components was well utilized to finely control the stoichiometry in binaries. In mixed II-VI systems the components are either three or four, depending on whether the system is a ternary or a quaternary. The added degrees of freedom make it very difficult to control stoichiometry. However, Igaki et al. demonstrated the feasibility of control of stoichiometry in CdSxSe1-x. In this paper, a self-sealing vaporphase growth technique used for both ternary and quaternary system is described. The systems studied are CdSxSe1-x, (ZnSe)x(CdTe)1-x and (ZnTe)x(CdSe)1-x. Results on growth mechanism, miscibility, structure, band gap variation, conductivity type variation with 'x' and transport properties are presented in a comparative way and discussed. CdSxSe1-x system in the entire 'X' has the same crystal structure and type of conductivity. The second system has the same zincblend structure but the type of conductivity is very sensitive to thermal treatment. In the last system both structure and types of conductivity are different. The discontinuities in properties associated with this divergent end compound are presented and discussed. Among the physical properties/parameters studied crystal structure, bandgap and nature of conductivity are tailorable, and magnitudes of conductivity and dielectric properties are very difficult to control in the crystals grown by this vapor phase method.

Binary Lenses in OGLE-III EWS Database. Seasons 2002-2003

NASA Astrophysics Data System (ADS)

Jaroszynski, M.; Udalski, A.; Kubiak, M.; Szymanski, M.; Pietrzynski, G.; Soszynski, I.; Zebrun, K.; Szewczyk, O.; Wyrzykowski, L.

2004-06-01

We present 15 binary lens candidates from OGLE-III Early Warning System database for seasons 2002-2003. We also found 15 events interpreted as single mass lensing of double sources. The candidates were selected by visual light curves inspection. Examining the models of binary lenses of this and our previous study (10 caustic crossing events of OGLE-II seasons 1997--1999) we find one case of extreme mass ratio binary (q approx 0.005) and the rest in the range 0.1

Testing Ultracool Models with Precise Luminosities and Masses

NASA Astrophysics Data System (ADS)

Dupuy, Trent; Cushing, Michael; Liu, Michael; Burningham, Ben; Leggett, Sandy; Albert, Loic; Delorme, Philippe

2011-05-01

After years of patient orbital monitoring, there is a growing sample of brown dwarfs with well-determined dynamical masses, representing the gold standard for testing substellar models. A key element of our model tests to date has been the use of integrated-light photometry to provide accurate total luminosity measurements for these binaries. However, some of the ultracool binaries with the most promising orbit motion for yielding dynamical in the masses lack the mid-infrared photometry needed to constrain their SEDs. This is especially crucial for the latest type binaries (spectral types >T5) that will probe the coldest temperature regimes previously untested with dynamical masses. We propose to use IRAC to obtain the needed mid-infrared photometry for a sample of binaries that are part of our ongoing orbital monitoring program with Keck laser guide star adaptive optics. The observational effort needed to characterize these binaries' luminosities using Spitzer is much less daunting in than the years of orbital monitoring needed to measure precise dynamical masses, but it is equally vital for robust tests of theory.

Einstein observations of selected close binaries and shell stars

NASA Technical Reports Server (NTRS)

Guinan, E. F.; Koch, R. H.; Plavec, M. J.

1984-01-01

Several evolved close binaries and shell stars were observed with the IPC aboard the HEAO 2 Einstein Observatory. No eclipsing target was detected, and only two of the shell binaries were detected. It is argued that there is no substantial difference in L(X) for eclipsing and non-eclipsing binaries. The close binary and shell star CX Dra was detected as a moderately strong source, and the best interpretation is that the X-ray flux arises primarily from the corona of the cool member of the binary at about the level of Algol-like or RS CVn-type sources. The residual visible-band light curve of this binary has been modeled so as to conform as well as possible with this interpretation. HD 51480 was detected as a weak source. Substantial background information from IUE and ground scanner measurements are given for this binary. The positions and flux values of several accidentally detected sources are given.

Mapping quantitative trait loci for binary trait in the F2:3 design.

PubMed

Zhu, Chengsong; Zhang, Yuan-Ming; Guo, Zhigang

2008-12-01

In the analysis of inheritance of quantitative traits with low heritability, an F(2:3) design that genotypes plants in F(2) and phenotypes plants in F(2:3) progeny is often used in plant genetics. Although statistical approaches for mapping quantitative trait loci (QTL) in the F(2:3) design have been well developed, those for binary traits of biological interest and economic importance are seldom addressed. In this study, an attempt was made to map binary trait loci (BTL) in the F(2:3) design. The fundamental idea was: the F(2) plants were genotyped, all phenotypic values of each F(2:3) progeny were measured for binary trait, and these binary trait values and the marker genotype informations were used to detect BTL under the penetrance and liability models. The proposed method was verified by a series of Monte-Carlo simulation experiments. These results showed that maximum likelihood approaches under the penetrance and liability models provide accurate estimates for the effects and the locations of BTL with high statistical power, even under of low heritability. Moreover, the penetrance model is as efficient as the liability model, and the F(2:3) design is more efficient than classical F(2) design, even though only a single progeny is collected from each F(2:3) family. With the maximum likelihood approaches under the penetrance and the liability models developed in this study, we can map binary traits as we can do for quantitative trait in the F(2:3) design.

Creating Drug Solubilization Compartments via Phase Separation in Multicomponent Buccal Patches Prepared by Direct Hot Melt Extrusion-Injection Molding.

PubMed

Alhijjaj, Muqdad; Bouman, Jacob; Wellner, Nikolaus; Belton, Peter; Qi, Sheng

2015-12-07

Creating in situ phase separation in solid dispersion based formulations to allow enhanced functionality of the dosage form, such as improving dissolution of poorly soluble model drug as well as being mucoadhesive, can significantly maximize the in vitro and in vivo performance of the dosage form. This formulation strategy can benefit a wide range of solid dosage forms for oral and alternative routes of delivery. This study using buccal patches as an example created separated phases in situ of the buccal patches by selecting the excipients with different miscibility with each other and the model drug. The quaternary dispersion based buccal patches containing PEG, PEO, Tween 80, and felodipine were prepared by direct hot melt extrusion-injection molding (HME-IM). The partial miscibility between Tween 80 and semicrystalline PEG-PEO led to the phase separation after extrusion. The Tween phases acted as drug solubilization compartments, and the PEG-PEO phase had the primary function of providing mucoadhesion and carrier controlled dissolution. As felodipine was preferably solubilized in the amorphous regions of PEG-PEO, the high crystallinity of PEG-PEO resulted in an overall low drug solubilizing capacity. Tween 80 was added to improve the solubilization capacity of the system as the model drug showed good solubility in Tween. Increasing the drug loading led to the supersaturation of drug in Tween compartments and crystalline drug dispersed in PEG-PEO phases. The spatial distribution of these phase-separated compartments was mapped using X-ray micro-CT, which revealed that the domain size and heterogeneity of the phase separation increased with increasing the drug loading. The outcome of this study provides new insights into the applicability of in situ formed phase separation as a formulation strategy for the delivery of poorly soluble drugs and demonstrated the basic principle of excipient selection for such technology.

Miscibility and Speciation in the Water/carbon Dioxide System

NASA Astrophysics Data System (ADS)

Abramson, E.; Bollengier, O.; Brown, J. M.

2017-12-01

We have been exploring fluid-fluid solubilities and speciation in mixed systems of CO2-H2O. Fluid-fluid immiscibility extends to the highest pressures and temperatures yet explored (7 GPa, 700K). In this region, commonly used COH fluid models agree neither with the data nor among themselves. The range of immiscibility is extended by addition of NaCl, but miscibility limits determined in preliminary experiments are not as expected from extrapolation of lower pressure (<0.2 GPa) results. For majority-water systems (XCO2<0.5) an abrupt increase of solubility with pressure is linked to an observed change in speciation as CO2(aq) reacts with water. The identity of the newly formed species is, as of the writing of this abstract, unknown, but presumed to be either H2CO3 or HCO3-. A reasonable match between the observed equilibria and an application of HKF theory suggests that the new species is, indeed, HCO3-, but with a Raman frequency shifted from that found in the dilute aqueous solution. Application of HKF theory to the CO2(f)-CO2(aq) equilibrium suffers from an incompatibility of the usual formulation of the theory with known molar volumes of CO2(f) at higher pressures. On the basis of these studies we conclude that models of CO2-H2O fluids must take into account major changes in speciation, and that simple equations-of-state, of a few fitted parameters, will not afford an adequate description of such fluids. "First principles" models, tested against real data, seem more likely to yield the desired results. This statement extends as well to the calculation of the dielectric constants of these mixed fluids, the basis of ionic solution chemistry. Further, semi-empirical formulations of solution thermodynamics, which function well at pressures of kbars, ought to be re-worked for use over larger pressure ranges.

Individual and binary toxicity of anatase and rutile nanoparticles towards Ceriodaphnia dubia.

PubMed

Iswarya, V; Bhuvaneshwari, M; Chandrasekaran, N; Mukherjee, Amitava

2016-09-01

Increasing usage of engineered nanoparticles, especially Titanium dioxide (TiO2) in various commercial products has necessitated their toxicity evaluation and risk assessment, especially in the aquatic ecosystem. In the present study, a comprehensive toxicity assessment of anatase and rutile NPs (individual as well as a binary mixture) has been carried out in a freshwater matrix on Ceriodaphnia dubia under different irradiation conditions viz., visible and UV-A. Anatase and rutile NPs produced an LC50 of about 37.04 and 48mg/L, respectively, under visible irradiation. However, lesser LC50 values of about 22.56 (anatase) and 23.76 (rutile) mg/L were noted under UV-A irradiation. A toxic unit (TU) approach was followed to determine the concentrations of binary mixtures of anatase and rutile. The binary mixture resulted in an antagonistic and additive effect under visible and UV-A irradiation, respectively. Among the two different modeling approaches used in the study, Marking-Dawson model was noted to be a more appropriate model than Abbott model for the toxicity evaluation of binary mixtures. The agglomeration of NPs played a significant role in the induction of antagonistic and additive effects by the mixture based on the irradiation applied. TEM and zeta potential analysis confirmed the surface interactions between anatase and rutile NPs in the mixture. Maximum uptake was noticed at 0.25 total TU of the binary mixture under visible irradiation and 1 TU of anatase NPs for UV-A irradiation. Individual NPs showed highest uptake under UV-A than visible irradiation. In contrast, binary mixture showed a difference in the uptake pattern based on the type of irradiation exposed. Copyright © 2016 Elsevier B.V. All rights reserved.

Asymmetric Planetary Nebulae VI: the conference summary

NASA Astrophysics Data System (ADS)

De Marco, O.

2014-04-01

The Asymmetric Planetary Nebulae conference series, now in its sixth edition, aims to resolve the shaping mechanism of PN. Eighty percent of PN have non spherical shapes and during this conference the last nails in the coffin of single stars models for non spherical PN have been put. Binary theories abound but observational tests are lagging. The highlight of APN6 has been the arrival of ALMA which allowed us to measure magnetic fields on AGB stars systematically. AGB star halos, with their spiral patterns are now connected to PPN and PN halos. New models give us hope that binary parameters may be decoded from these images. In the post-AGB and pre-PN evolutionary phase the naked post-AGB stars present us with an increasingly curious puzzle as complexity is added to the phenomenologies of objects in transition between the AGB and the central star regimes. Binary central stars continue to be detected, including the first detection of longer period binaries, however a binary fraction is still at large. Hydro models of binary interactions still fail to give us results, if we make an exception for the wider types of binary interactions. More promise is shown by analytical considerations and models driven by simpler, 1D simulations such as those carried out with the code MESA. Large community efforts have given us more homogeneous datasets which will yield results for years to come. Examples are the ChanPlaN and HerPlaNe collaborations that have been working with the Chandra and Herschel space telescopes, respectively. Finally, the new kid in town is the intermediate-luminosity optical transient, a new class of events that may have contributed to forming several peculiar PN and pre-PN.

TEMPORAL CORRELATION OF CLASSIFICATIONS IN REMOTE SENSING

EPA Science Inventory

A bivariate binary model is developed for estimating the change in land cover from satellite images obtained at two different times. The binary classifications of a pixel at the two times are modeled as potentially correlated random variables, conditional on the true states of th...

Quick probabilistic binary image matching: changing the rules of the game

NASA Astrophysics Data System (ADS)

Mustafa, Adnan A. Y.

2016-09-01

A Probabilistic Matching Model for Binary Images (PMMBI) is presented that predicts the probability of matching binary images with any level of similarity. The model relates the number of mappings, the amount of similarity between the images and the detection confidence. We show the advantage of using a probabilistic approach to matching in similarity space as opposed to a linear search in size space. With PMMBI a complete model is available to predict the quick detection of dissimilar binary images. Furthermore, the similarity between the images can be measured to a good degree if the images are highly similar. PMMBI shows that only a few pixels need to be compared to detect dissimilarity between images, as low as two pixels in some cases. PMMBI is image size invariant; images of any size can be matched at the same quick speed. Near-duplicate images can also be detected without much difficulty. We present tests on real images that show the prediction accuracy of the model.

Modeling X-ray and gamma-ray emission in the intrabinary shock of pulsar binaries

NASA Astrophysics Data System (ADS)

An, H.

2017-10-01

We present broadband SED and light curve, and a wind interaction model for the gamma-ray binary 1FGL J1018.6-5856 (J1018) which exhibits double peaks in the X-ray light curve. Assuming that the X-ray to low-energy gamma-ray emission is produced by synchrotron radiation and high-energy gamma rays by inverse Compton scattering in the intrabinary shock (IBS), we model the broadband SED and light curve of J1018 using a two-component model having slow electrons in the shock and fast bulk-accelerated electrons at the skin of the shock. The model explains the broadband SED and light curve of J1018 qualitatively well. In particular, modeling the synchrotron emission constrains the orbital geometry. We discuss potential use of the model for other pulsar binaries.

Towards a Fundamental Understanding of Short Period Eclipsing Binary Systems Using Kepler Data

NASA Astrophysics Data System (ADS)

Prsa, Andrej

Kepler's ultra-high precision photometry is revolutionizing stellar astrophysics. We are seeing intrinsic phenomena on an unprecedented scale, and interpreting them is both a challenge and an exciting privilege. Eclipsing binary stars are of particular significance for stellar astrophysics because precise modeling leads to fundamental parameters of the orbiting components: masses, radii, temperatures and luminosities to better than 1-2%. On top of that, eclipsing binaries are ideal physical laboratories for studying other physical phenomena, such as asteroseismic properties, chromospheric activity, proximity effects, mass transfer in close binaries, etc. Because of the eclipses, the basic geometry is well constrained, but a follow-up spectroscopy is required to get the dynamical masses and the absolute scale of the system. A conjunction of Kepler photometry and ground- based spectroscopy is a treasure trove for eclipsing binary star astrophysics. This proposal focuses on a carefully selected set of 100 short period eclipsing binary stars. The fundamental goal of the project is to study the intrinsic astrophysical effects typical of short period binaries in great detail, utilizing Kepler photometry and follow-up spectroscopy to devise a robust and consistent set of modeling results. The complementing spectroscopy is being secured from 3 approved and fully funded programs: the NOAO 4-m echelle spectroscopy at Kitt Peak (30 nights; PI Prsa), the 10- m Hobby-Eberly Telescope high-resolution spectroscopy (PI Mahadevan), and the 2.5-m Sloan Digital Sky Survey III spectroscopy (PI Mahadevan). The targets are prioritized by the projected scientific yield. Short period detached binaries host low-mass (K- and M- type) components for which the mass-radius relationship is sparsely populated and still poorly understood, as the radii appear up to 20% larger than predicted by the population models. We demonstrate the spectroscopic detection viability in the secondary-to-primary light ratio regime of ~1-2% for the circumbinary host system Kepler-16. Semi-detached binaries are ideal targets to study the dynamical processes such as mass flow and accretion, and the associated thermal processes such as intensity variation due to distortion of the lobe-filling component and material inflow collisions with accretion disks. Overcontact binaries are very abundant, yet their evolution and radiative properties are poorly understood and conflicting theories exist to explain their population frequency and structure. In addition, we will measure eclipse timing variations for all program binaries that attest to the presence of perturbing third bodies (stellar and substellar!) or dynamical interaction between the components. By a dedicated, detailed, manual modeling of these sets of targets, we will be able to use Kepler's ultra-high precision photometry to a rewarding scientific end. Thanks to the unprecedented quality of Kepler data, this will be a highly focused effort that maximizes the scientific yield and the reliability of the results. Our team has ample experience dealing with Kepler data (PI Prsa serves as chair of the Eclipsing Binary Working Group in the Kepler Science Team), spectroscopic follow-up (Co-Is Mahadevan and Bender both have experience with radial velocity instrumentation and large spectroscopic surveys), and eclipsing binary modeling (PI Prsa and Co-I Devinney both have a long record of theoretical and computational development of modeling tools). The bulk of funding we are requesting is for two postdoctoral research fellows to conduct this work at 0.5 FTE/year each, for the total of 2 years.

Water and hydrogen are immiscible in Earth's mantle.

PubMed

Bali, Enikő; Audétat, Andreas; Keppler, Hans

2013-03-14

In the deep, chemically reducing parts of Earth's mantle, hydrous fluids contain significant amounts of molecular hydrogen (H2). Thermodynamic models of fluids in Earth's mantle so far have always assumed that molecular hydrogen and water are completely miscible. Here we show experimental evidence that water and hydrogen can coexist as two separate, immiscible phases. Immiscibility between water and hydrogen may be the cause of the formation of enigmatic, ultra-reducing domains in the mantle that contain moissanite (SiC) and other phases indicative of extremely reducing conditions. Moreover, the immiscibility between water and hydrogen may provide a mechanism for the rapid oxidation of Earth's upper mantle immediately following core formation.

ROTATING STARS AND THE FORMATION OF BIPOLAR PLANETARY NEBULAE. II. TIDAL SPIN-UP

DOE Office of Scientific and Technical Information (OSTI.GOV)

García-Segura, G.; Villaver, E.; Manchado, A.

We present new binary stellar evolution models that include the effects of tidal forces, rotation, and magnetic torques with the goal of testing planetary nebulae (PNs) shaping via binary interaction. We explore whether tidal interaction with a companion can spin-up the asymptotic giant brach (AGB) envelope. To do so, we have selected binary systems with main-sequence masses of 2.5 M {sub ⊙} and 0.8 M {sub ⊙} and evolve them allowing initial separations of 5, 6, 7, and 8 au. The binary stellar evolution models have been computed all the way to the PNs formation phase or until Roche lobemore » overflow (RLOF) is reached, whatever happens first. We show that with initial separations of 7 and 8 au, the binary avoids entering into RLOF, and the AGB star reaches moderate rotational velocities at the surface (∼3.5 and ∼2 km s{sup −1}, respectively) during the inter-pulse phases, but after the thermal pulses it drops to a final rotational velocity of only ∼0.03 km s{sup −1}. For the closest binary separations explored, 5 and 6 au, the AGB star reaches rotational velocities of ∼6 and ∼4 km s{sup −1}, respectively, when the RLOF is initiated. We conclude that the detached binary models that avoid entering the RLOF phase during the AGB will not shape bipolar PNs, since the acquired angular momentum is lost via the wind during the last two thermal pulses. This study rules out tidal spin-up in non-contact binaries as a sufficient condition to form bipolar PNs.« less

On the Binary Nature of Massive Blue Hypergiants: High-resolution X-Ray Spectroscopy Suggests That Cyg OB2 12 is a Colliding Wind Binary

NASA Astrophysics Data System (ADS)

Oskinova, L. M.; Huenemoerder, D. P.; Hamann, W.-R.; Shenar, T.; Sander, A. A. C.; Ignace, R.; Todt, H.; Hainich, R.

2017-08-01

The blue hypergiant Cyg OB2 12 (B3Ia+) is a representative member of the class of very massive stars in a poorly understood evolutionary stage. We obtained its high-resolution X-ray spectrum using the Chandra observatory. PoWR model atmospheres were calculated to provide realistic wind opacities and to establish the wind density structure. We find that collisional de-excitation is the dominant mechanism depopulating the metastable upper levels of the forbidden lines of the He-like ions Si xiv and Mg xii. Comparison between the model and observations reveals that X-ray emission is produced in a dense plasma, which could reside only at the photosphere or in a colliding wind zone between binary components. The observed X-ray spectra are well-fitted by thermal plasma models, with average temperatures in excess of 10 MK. The wind speed in Cyg OB2 12 is not high enough to power such high temperatures, but the collision of two winds in a binary system can be sufficient. We used archival data to investigate the X-ray properties of other blue hypergiants. In general, stars of this class are not detected as X-ray sources. We suggest that our new Chandra observations of Cyg OB2 12 can be best explained if Cyg OB2 12 is a colliding wind binary possessing a late O-type companion. This makes Cyg OB2 12 only the second binary system among the 16 known Galactic hypergiants. This low binary fraction indicates that the blue hypergiants are likely products of massive binary evolution during which they either accreted a significant amount of mass or already merged with their companions.

Error-analysis and comparison to analytical models of numerical waveforms produced by the NRAR Collaboration

NASA Astrophysics Data System (ADS)

Hinder, Ian; Buonanno, Alessandra; Boyle, Michael; Etienne, Zachariah B.; Healy, James; Johnson-McDaniel, Nathan K.; Nagar, Alessandro; Nakano, Hiroyuki; Pan, Yi; Pfeiffer, Harald P.; Pürrer, Michael; Reisswig, Christian; Scheel, Mark A.; Schnetter, Erik; Sperhake, Ulrich; Szilágyi, Bela; Tichy, Wolfgang; Wardell, Barry; Zenginoğlu, Anıl; Alic, Daniela; Bernuzzi, Sebastiano; Bode, Tanja; Brügmann, Bernd; Buchman, Luisa T.; Campanelli, Manuela; Chu, Tony; Damour, Thibault; Grigsby, Jason D.; Hannam, Mark; Haas, Roland; Hemberger, Daniel A.; Husa, Sascha; Kidder, Lawrence E.; Laguna, Pablo; London, Lionel; Lovelace, Geoffrey; Lousto, Carlos O.; Marronetti, Pedro; Matzner, Richard A.; Mösta, Philipp; Mroué, Abdul; Müller, Doreen; Mundim, Bruno C.; Nerozzi, Andrea; Paschalidis, Vasileios; Pollney, Denis; Reifenberger, George; Rezzolla, Luciano; Shapiro, Stuart L.; Shoemaker, Deirdre; Taracchini, Andrea; Taylor, Nicholas W.; Teukolsky, Saul A.; Thierfelder, Marcus; Witek, Helvi; Zlochower, Yosef

2013-01-01

The Numerical-Relativity-Analytical-Relativity (NRAR) collaboration is a joint effort between members of the numerical relativity, analytical relativity and gravitational-wave data analysis communities. The goal of the NRAR collaboration is to produce numerical-relativity simulations of compact binaries and use them to develop accurate analytical templates for the LIGO/Virgo Collaboration to use in detecting gravitational-wave signals and extracting astrophysical information from them. We describe the results of the first stage of the NRAR project, which focused on producing an initial set of numerical waveforms from binary black holes with moderate mass ratios and spins, as well as one non-spinning binary configuration which has a mass ratio of 10. All of the numerical waveforms are analysed in a uniform and consistent manner, with numerical errors evaluated using an analysis code created by members of the NRAR collaboration. We compare previously-calibrated, non-precessing analytical waveforms, notably the effective-one-body (EOB) and phenomenological template families, to the newly-produced numerical waveforms. We find that when the binary's total mass is ˜100-200M⊙, current EOB and phenomenological models of spinning, non-precessing binary waveforms have overlaps above 99% (for advanced LIGO) with all of the non-precessing-binary numerical waveforms with mass ratios ⩽4, when maximizing over binary parameters. This implies that the loss of event rate due to modelling error is below 3%. Moreover, the non-spinning EOB waveforms previously calibrated to five non-spinning waveforms with mass ratio smaller than 6 have overlaps above 99.7% with the numerical waveform with a mass ratio of 10, without even maximizing on the binary parameters.

On the Binary Nature of Massive Blue Hypergiants: High-resolution X-Ray Spectroscopy Suggests That Cyg OB2 12 is a Colliding Wind Binary

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oskinova, L. M.; Hamann, W.-R.; Shenar, T.

The blue hypergiant Cyg OB2 12 (B3Ia{sup +}) is a representative member of the class of very massive stars in a poorly understood evolutionary stage. We obtained its high-resolution X-ray spectrum using the Chandra observatory. PoWR model atmospheres were calculated to provide realistic wind opacities and to establish the wind density structure. We find that collisional de-excitation is the dominant mechanism depopulating the metastable upper levels of the forbidden lines of the He-like ions Si xiv and Mg xii. Comparison between the model and observations reveals that X-ray emission is produced in a dense plasma, which could reside only atmore » the photosphere or in a colliding wind zone between binary components. The observed X-ray spectra are well-fitted by thermal plasma models, with average temperatures in excess of 10 MK. The wind speed in Cyg OB2 12 is not high enough to power such high temperatures, but the collision of two winds in a binary system can be sufficient. We used archival data to investigate the X-ray properties of other blue hypergiants. In general, stars of this class are not detected as X-ray sources. We suggest that our new Chandra observations of Cyg OB2 12 can be best explained if Cyg OB2 12 is a colliding wind binary possessing a late O-type companion. This makes Cyg OB2 12 only the second binary system among the 16 known Galactic hypergiants. This low binary fraction indicates that the blue hypergiants are likely products of massive binary evolution during which they either accreted a significant amount of mass or already merged with their companions.« less

On hydrodynamic phase field models for binary fluid mixtures

NASA Astrophysics Data System (ADS)

Yang, Xiaogang; Gong, Yuezheng; Li, Jun; Zhao, Jia; Wang, Qi

2018-05-01

Two classes of thermodynamically consistent hydrodynamic phase field models have been developed for binary fluid mixtures of incompressible viscous fluids of possibly different densities and viscosities. One is quasi-incompressible, while the other is incompressible. For the same binary fluid mixture of two incompressible viscous fluid components, which one is more appropriate? To answer this question, we conduct a comparative study in this paper. First, we visit their derivation, conservation and energy dissipation properties and show that the quasi-incompressible model conserves both mass and linear momentum, while the incompressible one does not. We then show that the quasi-incompressible model is sensitive to the density deviation of the fluid components, while the incompressible model is not in a linear stability analysis. Second, we conduct a numerical investigation on coarsening or coalescent dynamics of protuberances using the two models. We find that they can predict quite different transient dynamics depending on the initial conditions and the density difference although they predict essentially the same quasi-steady results in some cases. This study thus cast a doubt on the applicability of the incompressible model to describe dynamics of binary mixtures of two incompressible viscous fluids especially when the two fluid components have a large density deviation.

Predicting the occurrence of wildfires with binary structured additive regression models.

PubMed

Ríos-Pena, Laura; Kneib, Thomas; Cadarso-Suárez, Carmen; Marey-Pérez, Manuel

2017-02-01

Wildfires are one of the main environmental problems facing societies today, and in the case of Galicia (north-west Spain), they are the main cause of forest destruction. This paper used binary structured additive regression (STAR) for modelling the occurrence of wildfires in Galicia. Binary STAR models are a recent contribution to the classical logistic regression and binary generalized additive models. Their main advantage lies in their flexibility for modelling non-linear effects, while simultaneously incorporating spatial and temporal variables directly, thereby making it possible to reveal possible relationships among the variables considered. The results showed that the occurrence of wildfires depends on many covariates which display variable behaviour across space and time, and which largely determine the likelihood of ignition of a fire. The joint possibility of working on spatial scales with a resolution of 1 × 1 km cells and mapping predictions in a colour range makes STAR models a useful tool for plotting and predicting wildfire occurrence. Lastly, it will facilitate the development of fire behaviour models, which can be invaluable when it comes to drawing up fire-prevention and firefighting plans. Copyright © 2016 Elsevier Ltd. All rights reserved.

Accommodating Binary and Count Variables in Mediation: A Case for Conditional Indirect Effects

ERIC Educational Resources Information Center

Geldhof, G. John; Anthony, Katherine P.; Selig, James P.; Mendez-Luck, Carolyn A.

2018-01-01

The existence of several accessible sources has led to a proliferation of mediation models in the applied research literature. Most of these sources assume endogenous variables (e.g., M, and Y) have normally distributed residuals, precluding models of binary and/or count data. Although a growing body of literature has expanded mediation models to…

Memory-Based Simple Heuristics as Attribute Substitution: Competitive Tests of Binary Choice Inference Models

ERIC Educational Resources Information Center

Honda, Hidehito; Matsuka, Toshihiko; Ueda, Kazuhiro

2017-01-01

Some researchers on binary choice inference have argued that people make inferences based on simple heuristics, such as recognition, fluency, or familiarity. Others have argued that people make inferences based on available knowledge. To examine the boundary between heuristic and knowledge usage, we examine binary choice inference processes in…

The formation of Kuiper-belt binaries through exchange reactions.

PubMed

Funato, Yoko; Makino, Junichiro; Hut, Piet; Kokubo, Eiichiro; Kinoshita, Daisuke

2004-02-05

Recent observations have revealed that an unexpectedly high fraction--a few per cent--of the trans-Neptunian objects (TNOs) that inhabit the Kuiper belt are binaries. The components have roughly equal masses, with very eccentric orbits that are wider than a hundred times the radius of the primary. Standard theories of binary asteroid formation tend to produce close binaries with circular orbits, so two models have been proposed to explain the unique characteristics of the TNOs. Both models, however, require extreme assumptions regarding the size distribution of the TNOs. Here we report a mechanism that is capable of producing binary TNOs with the observed properties during the early stages of their formation and growth. The only required assumption is that the TNOs were initially formed through gravitational instabilities in the protoplanetary dust disk. The basis of the mechanism is an exchange reaction in which a binary whose primary component is much more massive than the secondary interacts with a third body, whose mass is comparable to that of the primary. The low-mass secondary component is ejected and replaced by the third body in a wide but eccentric orbit.

Options for refractive index and viscosity matching to study variable density flows

NASA Astrophysics Data System (ADS)

Clément, Simon A.; Guillemain, Anaïs; McCleney, Amy B.; Bardet, Philippe M.

2018-02-01

Variable density flows are often studied by mixing two miscible aqueous solutions of different densities. To perform optical diagnostics in such environments, the refractive index of the fluids must be matched, which can be achieved by carefully choosing the two solutes and the concentration of the solutions. To separate the effects of buoyancy forces and viscosity variations, it is desirable to match the viscosity of the two solutions in addition to their refractive index. In this manuscript, several pairs of index matched fluids are compared in terms of viscosity matching, monetary cost, and practical use. Two fluid pairs are studied in detail, with two aqueous solutions (binary solutions of water and a salt or alcohol) mixed into a ternary solution. In each case: an aqueous solution of isopropanol mixed with an aqueous solution of sodium chloride (NaCl) and an aqueous solution of glycerol mixed with an aqueous solution of sodium sulfate (Na_2SO_4). The first fluid pair allows reaching high-density differences at low cost, but brings a large difference in dynamic viscosity. The second allows matching dynamic viscosity and refractive index simultaneously, at reasonable cost. For each of these four solutes, the density, kinematic viscosity, and refractive index are measured versus concentration and temperature, as well as wavelength for the refractive index. To investigate non-linear effects when two index-matched, binary solutions are mixed, the ternary solutions formed are also analyzed. Results show that density and refractive index follow a linear variation with concentration. However, the viscosity of the isopropanol and NaCl pair deviates from the linear law and has to be considered. Empirical correlations and their coefficients are given to create index-matched fluids at a chosen temperature and wavelength. Finally, the effectiveness of the refractive index matching is illustrated with particle image velocimetry measurements performed for a buoyant jet in a linearly stratified environment. The creation of the index-matched solutions and linear stratification in a large-scale experimental facility are detailed, as well as the practical challenges to obtain precise refractive index matching.

Assessing Shape Characteristics of Jupiter Trojans in the Kepler Campaign 6 Field

NASA Astrophysics Data System (ADS)

Sharkey, Benjamin; Ryan, Erin L.; Woodward, Charles E.

2017-10-01

We report estimates of spin pole orientations and body-centric axis ratios of nine Jupiter Trojan asteroids through convex shape models derived from Kepler K2 photometry. Our sample contains single-component as well as candidate binary systems (identified through lightcurve features). Photometric baselines on the targets covered 7 to 93 full rotation periods. By incorporating a bias against highly elongated physical shapes, spin vector orientations of single-component systems were constrained to several discrete regions. Single-component convex models failed to converge on two binary candidates while two others demonstrated pronounced tapering that may be consistent with concavities of contact binaries. Further work to create two-component models is likely necessary to constrain the candidate binary targets. We find that Kepler K2 photometry provides robust datasets capable of providing detailed information on physical shape parameters of Jupiter Trojans.

Both size-frequency distribution and sub-populations of the main-belt asteroid population are consistent with YORP-induced rotational fission

NASA Astrophysics Data System (ADS)

Jacobson, S.; Scheeres, D.; Rossi, A.; Marzari, F.; Davis, D.

2014-07-01

From the results of a comprehensive asteroid-population-evolution model, we conclude that the YORP-induced rotational-fission hypothesis has strong repercussions for the small size end of the main-belt asteroid size-frequency distribution and is consistent with observed asteroid-population statistics and with the observed sub-populations of binary asteroids, asteroid pairs and contact binaries. The foundation of this model is the asteroid-rotation model of Marzari et al. (2011) and Rossi et al. (2009), which incorporates both the YORP effect and collisional evolution. This work adds to that model the rotational fission hypothesis (i.e. when the rotation rate exceeds a critical value, erosion and binary formation occur; Scheeres 2007) and binary-asteroid evolution (Jacobson & Scheeres, 2011). The YORP-effect timescale for large asteroids with diameters D > ˜ 6 km is longer than the collision timescale in the main belt, thus the frequency of large asteroids is determined by a collisional equilibrium (e.g. Bottke 2005), but for small asteroids with diameters D < ˜ 6 km, the asteroid-population evolution model confirms that YORP-induced rotational fission destroys small asteroids more frequently than collisions. Therefore, the frequency of these small asteroids is determined by an equilibrium between the creation of new asteroids out of the impact debris of larger asteroids and the destruction of these asteroids by YORP-induced rotational fission. By introducing a new source of destruction that varies strongly with size, YORP-induced rotational fission alters the slope of the size-frequency distribution. Using the outputs of the asteroid-population evolution model and a 1-D collision evolution model, we can generate this new size-frequency distribution and it matches the change in slope observed by the SKADS survey (Gladman 2009). This agreement is achieved with both an accretional power-law or a truncated ''Asteroids were Born Big'' size-frequency distribution (Weidenschilling 2010, Morbidelli 2009). The binary-asteroid evolution model is highly constrained by the modeling done in Jacobson & Scheeres, and therefore the asteroid-population evolution model has only two significant free parameters: the ratio of low-to-high-mass-ratio binaries formed after rotational fission events and the mean strength of the binary YORP (BYORP) effect. Using this model, we successfully reproduce the observed small-asteroid sub-populations, which orthogonally constrain the two free parameters. We find the outcome of rotational fission most likely produces an initial mass-ratio fraction that is four to eight times as likely to produce high-mass-ratio systems as low-mass-ratio systems, which is consistent with rotational fission creating binary systems in a flat distribution with respect to mass ratio. We also find that the mean of the log-normal BYORP coefficient distribution B ≈ 10^{-2}.

Formation of polymeric toroidal-spiral particles.

PubMed

Sharma, Vishal; Szymusiak, Magdalena; Shen, Hao; Nitsche, Ludwig C; Liu, Ying

2012-01-10

Compared to spherical matrices, particles with well-defined internal structure provide large surface to volume ratio and predictable release kinetics for the encapsulated payloads. We describe self-assembly of polymeric particles, whereby competitive kinetics of viscous sedimentation, diffusion, and cross-linking yield a controllable toroidal-spiral (T-S) structure. Precursor polymeric droplets are splashed through the surface of a less dense, miscible solution, after which viscous forces entrain the surrounding bulk solution into the sedimenting polymer drop to form T-S channels. The intricate structure forms because low interfacial tension between the two miscible solutions is dominated by viscous forces. The biocompatible polymer, poly(ethylene glycol) diacrylate (PEG-DA), is used to demonstrate the solidification of the T-S shapes at various configurational stages by UV-triggered cross-linking. The dimensions of the channels are controlled by Weber number during impact on the surface, and Reynolds number and viscosity ratio during subsequent sedimentation. We anticipate applications of the T-S particle in drug delivery, wherein diffusion through these T-S channels and the polymer matrix would offer parallel release pathways for molecules of different sizes. Polyphosphate, as a model macromolecule, is entrained in T-S particles during their formation. The in vitro release kinetics of polyphosphate from the T-S particles with various channel length and width is reported. In addition, self-assembly of T-S particles occurs in a single step under benign conditions for delicate macromolecules, and appears conducive to scaleup.

Dipeptide-based polyphosphazene and polyester blends for bone tissue engineering.

PubMed

Deng, Meng; Nair, Lakshmi S; Nukavarapu, Syam P; Jiang, Tao; Kanner, William A; Li, Xudong; Kumbar, Sangamesh G; Weikel, Arlin L; Krogman, Nicholas R; Allcock, Harry R; Laurencin, Cato T

2010-06-01

Polyphosphazene-polyester blends are attractive materials for bone tissue engineering applications due to their controllable degradation pattern with non-toxic and neutral pH degradation products. In our ongoing quest for an ideal completely miscible polyphosphazene-polyester blend system, we report synthesis and characterization of a mixed-substituent biodegradable polyphosphazene poly[(glycine ethyl glycinato)(1)(phenyl phenoxy)(1)phosphazene] (PNGEG/PhPh) and its blends with a polyester. Two dipeptide-based blends namely 25:75 (Matrix1) and 50:50 (Matrix2) were produced at two different weight ratios of PNGEG/PhPh to poly(lactic acid-glycolic acid) (PLAGA). Blend miscibility was confirmed by differential scanning calorimetry, Fourier transform infrared spectroscopy, and scanning electron microscopy. Both blends resulted in higher tensile modulus and strength than the polyester. The blends showed a degradation rate in the order of Matrix2

Modelling the growth kinetics of Kocuria marina DAGII as a function of single and binary substrate during batch production of β-Cryptoxanthin.

PubMed

Mitra, Ruchira; Chaudhuri, Surabhi; Dutta, Debjani

2017-01-01

In the present investigation, growth kinetics of Kocuria marina DAGII during batch production of β-Cryptoxanthin (β-CRX) was studied by considering the effect of glucose and maltose as a single and binary substrate. The importance of mixed substrate over single substrate has been emphasised in the present study. Different mathematical models namely, the Logistic model for cell growth, the Logistic mass balance equation for substrate consumption and the Luedeking-Piret model for β-CRX production were successfully implemented. Model-based analyses for the single substrate experiments suggested that the concentrations of glucose and maltose higher than 7.5 and 10.0 g/L, respectively, inhibited the growth and β-CRX production by K. marina DAGII. The Han and Levenspiel model and the Luong product inhibition model accurately described the cell growth in glucose and maltose substrate systems with a R 2 value of 0.9989 and 0.9998, respectively. The effect of glucose and maltose as binary substrate was further investigated. The binary substrate kinetics was well described using the sum-kinetics with interaction parameters model. The results of production kinetics revealed that the presence of binary substrate in the cultivation medium increased the biomass and β-CRX yield significantly. This study is a first time detailed investigation on kinetic behaviours of K. marina DAGII during β-CRX production. The parameters obtained in the study might be helpful for developing strategies for commercial production of β-CRX by K. marina DAGII.

Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR FT-IR) Mapping Coupled with Multivariate Curve Resolution (MCR) for Studying the Miscibility of Chlorobutyl Rubber/Polyamide-12 Blends.

PubMed

Tang, Yongjiao; Jing, Nan; Zhang, Pudun

2015-11-01

A series of chlorobutyl rubber/polyamide-12 (CIIR/PA-12) blends compatibilized by different amounts of maleic anhydride (MAH) grafted polypropylene (PP-g-MAH) were investigated by attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR) mapping. Multivariate curve resolution (MCR) was used to process the FT-IR images. Both the spectra of pure components in the blends and their concentration distributions in a micro-region were acquired. Our results demonstrated that the blend with 15 parts per hundred rubber PP-g-MAH showed the best miscibility. An amide interphase and an imide interphase were inferred by analyzing the spectra of MCR component 3 of the blends with and without PP-g-MAH, respectively. Correspondingly, two different compatibilizing mechanisms were proposed for these blends.

Initial temperatures effect on the mixing efficiency and flow modes in T-shaped micromixer

NASA Astrophysics Data System (ADS)

Lobasov, A. S.; Shebeleva, A. A.

2017-09-01

Flow patterns and mixing of liquids with different initial temperatures in T-shaped micromixers are numerically investigated on the Reynolds number range from 1 to 250. The temperature of the one of mixing media was set equal to 20°C, while the temperature of the another mixing media was varied from 10°C to 50°C its effect on the flow structure and the mixing was studied. The dependences of the mixing efficiency and the pressure difference in this mixer on the difference in initial temperatures of miscible fluids and the Reynolds number were obtained. It was shown that the presence of a difference in initial temperatures of miscible fluids leads to a shift of flow regimes and the flow and mixing of two fluids with different initial temperatures can be considered as self-similar pattern with regard to the reduced Reynolds number.

Miscible viscous fingering involving production of gel by chemical reactions

NASA Astrophysics Data System (ADS)

Nagatsu, Yuichiro; Hoshino, Kenichi

2015-11-01

We have experimentally investigated miscible viscous fingering with chemical reactions producing gel. Here, two systems were employed. In one system, sodium polyacrylate (SPA) solution and aluminum ion (Al3 +) solution were used as the more and less viscous liquids, respectively. In another system, SPA solution and ferric ion (Fe3 +) solution were used as the more and less viscous liquids, respectively. In the case of Al3 +, displacement efficiency was smaller than that in the non-reactive case, whereas in the case of Fe3 +, the displacement efficiency was larger. We consider that the difference in change of the patterns in the two systems will be caused by the difference in the properties of the gels. Therefore, we have measured the rheological properties of the gels by means of a rheometer. We discuss relationship between the VF patterns and the rheological measurement.

Density profiles around A+B→C reaction-diffusion fronts in partially miscible systems: A general classification.

PubMed

Loodts, V; Trevelyan, P M J; Rongy, L; De Wit, A

2016-10-01

Various spatial density profiles can develop in partially miscible stratifications when a phase A dissolves with a finite solubility into a host phase containing a dissolved reactant B. We investigate theoretically the impact of an A+B→C reaction on such density profiles in the host phase and classify them in a parameter space spanned by the ratios of relative contributions to density and diffusion coefficients of the chemical species. While the density profile is either monotonically increasing or decreasing in the nonreactive case, reactions combined with differential diffusivity can create eight different types of density profiles featuring up to two extrema in density, at the reaction front or below it. We use this framework to predict various possible hydrodynamic instability scenarios inducing buoyancy-driven convection around such reaction fronts when they propagate parallel to the gravity field.

Electro-optical properties of low viscosity driven holographic polymer dispersed liquid crystals

NASA Astrophysics Data System (ADS)

Moon, K. R.; Bae, S. Y.; Kim, B. K.

2015-04-01

Relative diffraction efficiency (RDE), operating voltage, and response times are most important performance characteristics of holographic polymer dispersed liquid crystals (HPDLC). Two types of triallyl isocyanurate (TI) having different structures were incorporated into the conventional transmission grating of HPDLC. Premix viscosity decreased by 13-18% with up to 3% TI, beyond which it increased. TI eliminated induction period and augmented initial grating formation rate at all contents. Saturation RDE increased over 200% while threshold voltage and rise time decreased to about half and 2/3, respectively up to 3% TI, beyond which the tendencies were reversed. Among the two TIs, low viscosity monomer (TA) showed high RDE, while high miscibility monomer (TE) low characteristic voltages and short response times. It is concluded that grating formation is largely favored by low viscosity, while interface tensions and electro-optical performances by miscibility at similar viscosities.

Miscibility and crystallization behavior of poly (3-hydroxybutyrate) and poly (ethylene glycol) blends studied by positron annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Abdel-Hady, E. E.; Abdel-Hamed, M. O.; Hammam, A. M.

2011-01-01

Positron annihilation Lifetime (PAL) spectroscopy has been used to study the effect of PEG concentrations on the free volume properties of PHB. The data revealed that the ortho-positronium (o-Ps) lifetime τPs increases with 20% increase in concentration, decrease as the concentration increases to 40%, then rapid increase at 50% concentration of PEG. The o-Ps intensity, I3, shows a linear dependence as the concentration increases with a discontinuity at 20% concentration of PEG. Furthermore, the results presented and discussed in this work show that the PHB and PEG are miscible up to 40% of PEG but greater than 40%, the blend is immiscible. In addition, the mechanical properties of PHB are well improved by the addition of PEG with a low concentration up to 20%, while at higher concentration the blend becomes waxy.

Confinement effects on the miscibility of block copolymer blends.

PubMed

Spencer, Russell K W; Matsen, Mark W

2016-04-01

Thin films of long and short symmetric AB diblock copolymers are examined using self-consistent field theory (SCFT). We focus on hard confining walls with a preference for the A component, such that the lamellar domains orient parallel to the film with an even number ν of monolayers. For neat melts, confinement causes the lamellar period, D, to deviate from its bulk value, Db, in order to be commensurate with the film thickness, i.e., L = νD/2. For blends, however, the melt also has the option of macrophase separating into ν(l) large and ν((s)) small monolayers so as to provide a better fit, where L = ν(l)D(l)/2 + ν(s)D((s))/2. In addition to performing full SCFT calculations of the entire film, we develop a semi-analytical calculation for the coexistence of thick and thin monolayers that helps explain the complicated interplay between miscibility and commensurability.

Polymer collapse in miscible good solvents is a generic phenomenon driven by preferential adsorption

PubMed Central

Mukherji, Debashish; Marques, Carlos M.; Kremer, Kurt

2014-01-01

Water and alcohol, such as methanol or ethanol, are miscible and, individually, good solvents for poly(N-isopropylacrylamide) (PNIPAm), but this polymer precipitates in water–alcohol mixtures. The intriguing behaviour of solvent mixtures that cannot dissolve a given polymer or a given protein, while the same macromolecule dissolves well in each of the cosolvents, is called cononsolvency. It is a widespread phenomenon, relevant for many formulation steps in the physicochemical and pharmaceutical industry, that is usually explained by invoking specific chemical details of the mixtures: as such, it has so far eluded any generic explanation. Here, by using a combination of simulations and theory, we present a simple and universal treatment that requires only the preferential interaction of one of the cosolvents with the polymer. The results show striking quantitative agreement with experiments and chemically specific simulations, opening a new perspective towards an operational understanding of macromolecular solubility. PMID:25216245

Buoyant miscible displacement flow of shear-thinning fluids: Experiments and Simulations

NASA Astrophysics Data System (ADS)

Ale Etrati Khosroshahi, Seyed Ali; Frigaard, Ian

2017-11-01

We study displacement flow of two miscible fluids with density and viscosity contrast in an inclined pipe. Our focus is mainly on displacements where transverse mixing is not significant and thus a two-layer, stratified flow develops. Our experiments are carried out in a long pipe, covering a wide range of flow-rates, inclination angles and viscosity ratios. Density and viscosity contrasts are achieved by adding Glycerol and Xanthan gum to water, respectively. At each angle, flow rate and viscosity ratio are varied and density contrast is fixed. We identify and map different flow regimes, instabilities and front dynamics based on Fr , Re / Frcosβ and viscosity ratio m. The problem is also studied numerically to get a better insight into the flow structure and shear-thinning effects. Numerical simulations are completed using OpenFOAM in both pipe and channel geometries and are compared against the experiments. Schlumberger, NSERC.

Effect of critical molecular weight of PEO in epoxy/EPO blends as characterized by advanced DSC and solid-state NMR

NASA Astrophysics Data System (ADS)

Wang, Xiaoliang; Lu, Shoudong; Sun, Pingchuan; Xue, Gi

2013-03-01

The differential scanning calorimetry (DSC) and solid state NMR have been used to systematically study the length scale of the miscibility and local dynamics of the epoxy resin/poly(ethylene oxide) (ER/PEO) blends with different PEO molecular weight. By DSC, we found that the diffusion behavior of PEO with different Mw is an important factor in controlling these behaviors upon curing. We further employed two-dimensional 13C-{1H}PISEMA NMR experiment to elucidate the possible weak interaction and detailed local dynamics in ER/PEO blends. The CH2O group of PEO forms hydrogen bond with hydroxyl proton of cured-ER ether group, and its local dynamics frozen by such interaction. Our finding indicates that molecular weight (Mw) of PEO is a crucial factor in controlling the miscibility, chain dynamics and hydrogen bonding interaction in these blends.

New immiscible refrigeration lubricant for HFCs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sunami, Motoshi; Takigawa, Katsuya; Suda, Satoshi

1995-12-31

This study examines the capability of a family of very low-viscosity alkylbenzenes (AB) used in high-side rotary compressors for HFCs. In the development of refrigeration lubricants for HFCs, miscibility is one of the most important problems to be solved. Therefore, PAG (polyalkylene glycols) and POE (polyol esters), which have good miscibility, have been applied in new HFC applications. However, it is difficult for these lubricants to maintain long-term durability in high-side rotary compressors. In friction tests under high HFC pressure, ABs with much lower viscosities than mineral oil maintained a much stronger oil film than the combination of mineral oil/R-12more » or POE/HFCs. These results were also proven by compressor durability tests. From the study of the solubility of ABs and HFCs, it is suggested that the total amount of refrigerant can be reduced because HFCs are barely soluble with ABs inside the high-side shell.« less

Miscible displacement of a non-Newtonian fluid in a capillary tube

NASA Astrophysics Data System (ADS)

Soori, Tejaswi; Ward, Thomas

2017-11-01

This talk focuses on experiments conducted to further our understanding of how to displace an aqueous polymer within a capillary tube (diameter < 1 mm) using a Newtonian fluid. Estimates of the residual film were measured as a function of Reynolds (Re), viscous Atwood (At) and Péclet (Pé) numbers. Aqueous polymers were prepared by mixing ϕ = 0.01-0.1% (wt/wt) Carboxymethyl Cellulose (CMC) in water. We measure the shear viscosity of the aqueous polymer over a broad range of shear rates and fit the data obtained to the Carreau fluid parameters. Separately we measure the average bulk diffusion coefficient of the aqueous polymer and water in water and aqueous polymer phases respectively. Previous studies on the immiscible displacement of polymers have shown residual film thickness to be dependent on the tube diameter. We will investigate if this is true when the two fluids are miscible in nature. American Chemical Society Petroleum Research Fund.

Ground-State Wave Function with Interactions between Different Species in M-Component Miscible Bose-Einstein Condensates

NASA Astrophysics Data System (ADS)

Kohno, Wataru; Kirikoshi, Akimitsu; Kita, Takafumi

2018-03-01

We construct a variational ground-state wave function of weakly interacting M-component Bose-Einstein condensates beyond the mean-field theory by incorporating the dynamical 3/2-body processes, where one of the two colliding particles drops into the condensate and vice versa. Our numerical results with various masses and particle numbers show that the 3/2-body processes between different particles make finite contributions to lowering the ground-state energy, implying that many-body correlation effects between different particles are essential even in the weak-coupling regime of the Bose-Einstein condensates. We also consider the stability condition for 2-component miscible states using the new ground-state wave function. Through this calculation, we obtain the relation UAB2/UAAUBB < 1 + α , where Uij is the effective contact potential between particles i and j and α is the correction, which originates from the 3/2- and 2-body processes.

Mutual gravitational potential, force, and torque of a homogeneous polyhedron and an extended body: an application to binary asteroids

NASA Astrophysics Data System (ADS)

Shi, Yu; Wang, Yue; Xu, Shijie

2017-11-01

Binary systems are quite common within the populations of near-Earth asteroids, main-belt asteroids, and Kuiper belt asteroids. The dynamics of binary systems, which can be modeled as the full two-body problem, is a fundamental problem for their evolution and the design of relevant space missions. This paper proposes a new shape-based model for the mutual gravitational potential of binary asteroids, differing from prior approaches such as inertia integrals, spherical harmonics, or symmetric trace-free tensors. One asteroid is modeled as a homogeneous polyhedron, while the other is modeled as an extended rigid body with arbitrary mass distribution. Since the potential of the polyhedron is precisely described in a closed form, the mutual gravitational potential can be formulated as a volume integral over the extended body. By using Taylor expansion, the mutual potential is then derived in terms of inertia integrals of the extended body, derivatives of the polyhedron's potential, and the relative location and orientation between the two bodies. The gravitational forces and torques acting on the two bodies described in the body-fixed frame of the polyhedron are derived in the form of a second-order expansion. The gravitational model is then used to simulate the evolution of the binary asteroid (66391) 1999 KW4, and compared with previous results in the literature.

PHYSICS OF ECLIPSING BINARIES. II. TOWARD THE INCREASED MODEL FIDELITY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prša, A.; Conroy, K. E.; Horvat, M.

The precision of photometric and spectroscopic observations has been systematically improved in the last decade, mostly thanks to space-borne photometric missions and ground-based spectrographs dedicated to finding exoplanets. The field of eclipsing binary stars strongly benefited from this development. Eclipsing binaries serve as critical tools for determining fundamental stellar properties (masses, radii, temperatures, and luminosities), yet the models are not capable of reproducing observed data well, either because of the missing physics or because of insufficient precision. This led to a predicament where radiative and dynamical effects, insofar buried in noise, started showing up routinely in the data, but weremore » not accounted for in the models. PHOEBE (PHysics Of Eclipsing BinariEs; http://phoebe-project.org) is an open source modeling code for computing theoretical light and radial velocity curves that addresses both problems by incorporating missing physics and by increasing the computational fidelity. In particular, we discuss triangulation as a superior surface discretization algorithm, meshing of rotating single stars, light travel time effects, advanced phase computation, volume conservation in eccentric orbits, and improved computation of local intensity across the stellar surfaces that includes the photon-weighted mode, the enhanced limb darkening treatment, the better reflection treatment, and Doppler boosting. Here we present the concepts on which PHOEBE is built and proofs of concept that demonstrate the increased model fidelity.« less

The Eclipsing Binary On-Line Atlas (EBOLA)

NASA Astrophysics Data System (ADS)

Bradstreet, D. H.; Steelman, D. P.; Sanders, S. J.; Hargis, J. R.

2004-05-01

In conjunction with the upcoming release of \\it Binary Maker 3.0, an extensive on-line database of eclipsing binaries is being made available. The purposes of the atlas are: \\begin {enumerate} Allow quick and easy access to information on published eclipsing binaries. Amass a consistent database of light and radial velocity curve solutions to aid in solving new systems. Provide invaluable querying capabilities on all of the parameters of the systems so that informative research can be quickly accomplished on a multitude of published results. Aid observers in establishing new observing programs based upon stars needing new light and/or radial velocity curves. Encourage workers to submit their published results so that others may have easy access to their work. Provide a vast but easily accessible storehouse of information on eclipsing binaries to accelerate the process of understanding analysis techniques and current work in the field. \\end {enumerate} The database will eventually consist of all published eclipsing binaries with light curve solutions. The following information and data will be supplied whenever available for each binary: original light curves in all bandpasses, original radial velocity observations, light curve parameters, RA and Dec, V-magnitudes, spectral types, color indices, periods, binary type, 3D representation of the system near quadrature, plots of the original light curves and synthetic models, plots of the radial velocity observations with theoretical models, and \\it Binary Maker 3.0 data files (parameter, light curve, radial velocity). The pertinent references for each star are also given with hyperlinks directly to the papers via the NASA Abstract website for downloading, if available. In addition the Atlas has extensive searching options so that workers can specifically search for binaries with specific characteristics. The website has more than 150 systems already uploaded. The URL for the site is http://ebola.eastern.edu/.

Binary encoding of multiplexed images in mixed noise.

PubMed

Lalush, David S

2008-09-01

Binary coding of multiplexed signals and images has been studied in the context of spectroscopy with models of either purely constant or purely proportional noise, and has been shown to result in improved noise performance under certain conditions. We consider the case of mixed noise in an imaging system consisting of multiple individually-controllable sources (X-ray or near-infrared, for example) shining on a single detector. We develop a mathematical model for the noise in such a system and show that the noise is dependent on the properties of the binary coding matrix and on the average number of sources used for each code. Each binary matrix has a characteristic linear relationship between the ratio of proportional-to-constant noise and the noise level in the decoded image. We introduce a criterion for noise level, which is minimized via a genetic algorithm search. The search procedure results in the discovery of matrices that outperform the Hadamard S-matrices at certain levels of mixed noise. Simulation of a seven-source radiography system demonstrates that the noise model predicts trends and rank order of performance in regions of nonuniform images and in a simple tomosynthesis reconstruction. We conclude that the model developed provides a simple framework for analysis, discovery, and optimization of binary coding patterns used in multiplexed imaging systems.

Binary Model for the Heartbeat Star System KIC 4142768

NASA Astrophysics Data System (ADS)

Manuel, Joseph; Hambleton, Kelly

2018-01-01

Heartbeat stars are a class of eccentric (e > 0.2) binary systems that undergo strong tidal forces. These tidal forces cause the shape of each star and the temperature across the stellar surfaces to change. This effect also generates variations in the light curve in the form of tidally-induced pulsations, which are theorized to have a significant effect on the circularization of eccentric orbits (Zahn, 1975). Using the binary modeling software PHOEBE (Prša & Zwitter 2005) on the Kepler photometric data and Keck radial velocity data for the eclipsing, heartbeat star KIC 4142768, we have determined the fundamental parameters including masses and radii. The frequency analysis of the residual data has surprisingly revealed approximately 29 pulsations with 8 being Delta Scuti pulsations, 10 being Gamma Doradus pulsations, and 11 being tidally-induced pulsations. After subtracting an initial binary model from the original, detrended photometric data, we analyzed the pulsation frequencies in the residual data. We then were able to disentangle the identified pulsations from the original data in order to conduct subsequent binary modeling. We plan to continue this study by applying asteroseismology to KIC 4142768. Through our continued investigation, we hope to extract information about the star’s internal structure and expect this will yield additional, interesting results.

Microstructure, mixing rules and interfacial behavior in high k barium titanate epoxy composite

NASA Astrophysics Data System (ADS)

Shi, Yitong (Thomas)

2001-07-01

In this thesis, we have demonstrated the importance of two issues in BaTiO3/epoxy composites. They are (1) the miscibility of a particle blend in organic vehicle, i.e. the capability of particles with different particle sizes to mix at the particle level, and (2) the ceramic/polymer interface as a role in determining the effective dielectric constant. The epoxy matrix between the BaTiO3 particles is not homogeneous and has to be modeled as a two-layer structure. The inhomogeneity causes not only failure of the existing mixing rules but also the particle size dependence of the effective dielectric constant. Since the interfacial behavior is determined by the materials chemistry, the effective dielectric properties experimentally demonstrate strong dependence on the materials selection and processing. If BaTiO3 particles in liquid epoxy resin has a bimodal particle size distribution, the smaller particles do not experimentally fit into the interstitial spaces between the larger spheres in an organic vehicle. ESEM observations indicated that the large particles separated from the small ones. Depending on the paste formula, the particle separation led to either a layer-like or cluster-like microstructure. The mixing free energy of blending smaller particles with larger particles explains the observed phenomena and suggests general criteria for particle miscibility. Whenever the mixing free energy is negative and the mixing free energy curve is convex, the particle blend remains in a random particle distribution. Otherwise, the particles separate into a larger-particle rich "phase" and a smaller-particle rich "phase". A random particle distribution may be the largest degree of mixing we can achieve in an organic vehicle. If there is no specific interaction between the small particles and the large particles, there is no thermodynamic driving force for small particles to fill preferentially into the interstitial spaces between the large spheres. The Hamaker constant H significantly influences the miscibility of a particle blend. An increase in Hamaker constant H causes not only greater driving force for a particle blend to separate but also a more narrowed convex shape---the mixing window. At a specific composition, a particle blend separates in one vehicle but may remain in a random distribution in another vehicle if the later vehicle has significantly reduced the Hamaker constant H.

The close binary frequency of Wolf-Rayet stars as a function of metallicity in M31 and M33

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neugent, Kathryn F.; Massey, Philip, E-mail: kneugent@lowell.edu, E-mail: phil.massey@lowell.edu

Massive star evolutionary models generally predict the correct ratio of WC-type and WN-type Wolf-Rayet stars at low metallicities, but underestimate the ratio at higher (solar and above) metallicities. One possible explanation for this failure is perhaps single-star models are not sufficient and Roche-lobe overflow in close binaries is necessary to produce the 'extra' WC stars at higher metallicities. However, this would require the frequency of close massive binaries to be metallicity dependent. Here we test this hypothesis by searching for close Wolf-Rayet binaries in the high metallicity environments of M31 and the center of M33 as well as in themore » lower metallicity environments of the middle and outer regions of M33. After identifying ∼100 Wolf-Rayet binaries based on radial velocity variations, we conclude that the close binary frequency of Wolf-Rayets is not metallicity dependent and thus other factors must be responsible for the overabundance of WC stars at high metallicities. However, our initial identifications and observations of these close binaries have already been put to good use as we are currently observing additional epochs for eventual orbit and mass determinations.« less

Exploring stellar evolution with gravitational-wave observations

NASA Astrophysics Data System (ADS)

Dvorkin, Irina; Uzan, Jean-Philippe; Vangioni, Elisabeth; Silk, Joseph

2018-05-01

Recent detections of gravitational waves from merging binary black holes opened new possibilities to study the evolution of massive stars and black hole formation. In particular, stellar evolution models may be constrained on the basis of the differences in the predicted distribution of black hole masses and redshifts. In this work we propose a framework that combines galaxy and stellar evolution models and use it to predict the detection rates of merging binary black holes for various stellar evolution models. We discuss the prospects of constraining the shape of the time delay distribution of merging binaries using just the observed distribution of chirp masses. Finally, we consider a generic model of primordial black hole formation and discuss the possibility of distinguishing it from stellar-origin black holes.

On Fitting Generalized Linear Mixed-effects Models for Binary Responses using Different Statistical Packages

PubMed Central

Zhang, Hui; Lu, Naiji; Feng, Changyong; Thurston, Sally W.; Xia, Yinglin; Tu, Xin M.

2011-01-01

Summary The generalized linear mixed-effects model (GLMM) is a popular paradigm to extend models for cross-sectional data to a longitudinal setting. When applied to modeling binary responses, different software packages and even different procedures within a package may give quite different results. In this report, we describe the statistical approaches that underlie these different procedures and discuss their strengths and weaknesses when applied to fit correlated binary responses. We then illustrate these considerations by applying these procedures implemented in some popular software packages to simulated and real study data. Our simulation results indicate a lack of reliability for most of the procedures considered, which carries significant implications for applying such popular software packages in practice. PMID:21671252

Molecular weight dependence of LB morphology of poly(n-hexyl isocyanate) (PHIC).

PubMed

Morioka, Takako; Shibata, Osamu; Kawaguchi, Masami

2010-12-07

The morphologies of Langmuir-Blodgett (LB) films of two fractionated poly(n-hexyl isocyanate) (PHIC) and those of their binary mixtures were observed by AFM, together with those of an unfractionated PHIC. The low molecular weight PHIC formed random packing of bundles consisting of rigid rods, while the high molecular weight PHIC formed random packing of bundles consisting of hairy rods. Bundle interpenetration was observed only for the latter in the semidilute regime. In the bilayer region, the area occupied by the PHIC bundles in the upper layer was obviously smaller for the high molecular weight PHIC than for the low molecular weight PHIC, suggesting that the bundles of high molecular weight PHIC more easily interpenetrate than those of low molecular weight PHIC. For the blended films composed of both low and high molecular weight PHICs, the characteristic morphologies of the respective PHIC samples were no longer present. Moreover, the morphologies of the blended films appeared to resemble each other at any molar fraction owing to the ideal miscibility of the low molecular weight and high molecular weight PHICs. The morphologies of the blended films were also similar to that of the unfractionated PHIC film in the dilute regime. In the semidilute regime, the blended films became rounded owing to an increase in bundles interpenetration between PHICs as compared to that in the dilute regime, whereas the morphology of unfractionated PHIC films remained unchanged as compared to that in the dilute regime.

Supertoughened renewable PLA reactive multiphase blends system: phase morphology and performance.

PubMed

Zhang, Kunyu; Nagarajan, Vidhya; Misra, Manjusri; Mohanty, Amar K

2014-08-13

Multiphase blends of poly(lactic acid) (PLA), ethylene-methyl acrylate-glycidyl methacrylate (EMA-GMA) terpolymer, and a series of renewable poly(ether-b-amide) elastomeric copolymer (PEBA) were fabricated through reactive melt blending in an effort to improve the toughness of the PLA. Supertoughened PLA blend showing impact strength of ∼500 J/m with partial break impact behavior was achieved at an optimized blending ratio of 70 wt % PLA, 20 wt % EMA-GMA, and 10 wt % PEBA. Miscibility and thermal behavior of the binary blends PLA/PEBA and PLA/EMA-GMA, and the multiphase blends were also investigated through differential scanning calorimetric (DSC) and dynamic mechanical analysis (DMA). Phase morphology and fracture surface morphology of the blends were studied through scanning electron microscopy (SEM) and atomic force microscopy (AFM) to understand the strong corelation between the morphology and its significant effect on imparting tremendous improvement in toughness. A unique "multiple stacked structure" with partial encapsulation of EMA-GMA and PEBA minor phases was observed for the PLA/EMA-GMA/PEBA (70/20/10) revealing the importance of particular blend composition in enhancing the toughness. Toughening mechanism behind the supertoughened PLA blends have been established by studying the impact fractured surface morphology at different zones of fracture. Synergistic effect of good interfacial adhesion and interfacial cavitations followed by massive shear yielding of the matrix was believed to contribute to the enormous toughening effect observed in these multiphase blends.

The modelling of heat, mass and solute transport in solidification systems

NASA Technical Reports Server (NTRS)

Voller, V. R.; Brent, A. D.; Prakash, C.

1989-01-01

The aim of this paper is to explore the range of possible one-phase models of binary alloy solidification. Starting from a general two-phase description, based on the two-fluid model, three limiting cases are identified which result in one-phase models of binary systems. Each of these models can be readily implemented in standard single phase flow numerical codes. Differences between predictions from these models are examined. In particular, the effects of the models on the predicted macro-segregation patterns are evaluated.

Modeling Spatial Relationships within a Fuzzy Framework.

ERIC Educational Resources Information Center

Petry, Frederick E.; Cobb, Maria A.

1998-01-01

Presents a model for representing and storing binary topological and directional relationships between 2-dimensional objects that is used to provide a basis for fuzzy querying capabilities. A data structure called an abstract spatial graph (ASG) is defined for the binary relationships that maintains all necessary information regarding topology and…

Using binary statistics in Taurus-Auriga to distinguish between brown dwarf formation processes

NASA Astrophysics Data System (ADS)

Marks, M.; Martín, E. L.; Béjar, V. J. S.; Lodieu, N.; Kroupa, P.; Manjavacas, E.; Thies, I.; Rebolo López, R.; Velasco, S.

2017-08-01

Context. One of the key questions of the star formation problem is whether brown dwarfs (BDs) form in the manner of stars directly from the gravitational collapse of a molecular cloud core (star-like) or whether BDs and some very low-mass stars (VLMSs) constitute a separate population that forms alongside stars comparable to the population of planets, for example through circumstellar disk (peripheral) fragmentation. Aims: For young stars in Taurus-Auriga the binary fraction has been shown to be large with little dependence on primary mass above ≈ 0.2 M⊙, while for BDs the binary fraction is < 10%. Here we investigate a case in which BDs in Taurus formed dominantly, but not exclusively, through peripheral fragmentation, which naturally results in small binary fractions. The decline of the binary frequency in the transition region between star-like formation and peripheral formation is modelled. Methods: We employed a dynamical population synthesis model in which stellar binary formation is universal with a large binary fraction close to unity. Peripheral objects form separately in circumstellar disks with a distinctive initial mass function (IMF), their own orbital parameter distributions for binaries, and small binary fractions, according to observations and expectations from smoothed particle hydrodynamics (SPH) and grid-based computations. A small amount of dynamical processing of the stellar component was accounted for as appropriate for the low-density Taurus-Auriga embedded clusters. Results: The binary fraction declines strongly in the transition region between star-like and peripheral formation, exhibiting characteristic features. The location of these features and the steepness of this trend depend on the mass limits for star-like and peripheral formation. Such a trend might be unique to low density regions, such as Taurus, which host binary populations that are largely unprocessed dynamically in which the binary fraction is large for stars down to M-dwarfs and small for BDs. Conclusions: The existence of a strong decline in the binary fraction - primary mass diagram will become verifiable in future surveys on BD and VLMS binarity in the Taurus-Auriga star-forming region. The binary fraction - primary mass diagram is a diagnostic of the (non-)continuity of star formation along the mass scale, the separateness of the stellar and BD populations, and the dominant formation channel for BDs and BD binaries in regions of low stellar density hosting dynamically unprocessed populations.

A Multidimensional Ideal Point Item Response Theory Model for Binary Data

ERIC Educational Resources Information Center

Maydeu-Olivares, Albert; Hernandez, Adolfo; McDonald, Roderick P.

2006-01-01

We introduce a multidimensional item response theory (IRT) model for binary data based on a proximity response mechanism. Under the model, a respondent at the mode of the item response function (IRF) endorses the item with probability one. The mode of the IRF is the ideal point, or in the multidimensional case, an ideal hyperplane. The model…

Synthesis and evaluation of novel siloxane-methacrylate monomers used as dentin adhesives

PubMed Central

Ge, Xueping; Ye, Qiang; Song, Linyong; Misra, Anil; Spencer, Paulette

2014-01-01

Objectives The objectives of this study were to synthesize two new siloxane-methacrylate (SM) monomers for application in dentin adhesives and to investigate the influence of different functionality of the siloxane-containing monomers on the adhesive photopolymerization, water sorption, and mechanical properties. Materials and method Two siloxane-methacrylate monomers (SM1 and SM2) with four and eight methacrylate groups were synthesized. Dentin adhesives containing BisGMA, HEMA and the siloxane-methacrylate monomers were photo-polymerized. The experimental adhesives were compared with the control adhesive (HEMA/BisGMA 45/55 w/w) and characterized with regard to degree of conversion (DC), water miscibility of the liquid resin, water sorption and dynamic mechanical analysis (DMA). Results The experimental adhesives exhibited improved water miscibility as compared to the control. When cured in the presence of 12 wt % water to simulate the wet environment of the mouth, the SM-containing adhesives showed DC comparable to the control. The experimental adhesives showed higher rubbery modulus than the control under dry conditions. Under wet conditions, the mechanical properties of the formulations containing SM monomer with increased functionality were comparable with the control, even with more water sorption. Significance The concentration and functionality of the newly synthesized siloxane-methacrylate monomers affected the water miscibility, water sorption and mechanical properties of the adhesives. The experimental adhesives show improved water compatibility compared with the control. The mechanical properties were enhanced with an increase of the functionality of the siloxane-containing monomers. The results provide critical structure/property relationships and important information for future development of durable, versatile siloxane-containing dentin adhesives. PMID:24993811

Synthesis and evaluation of novel siloxane-methacrylate monomers used as dentin adhesives.

PubMed

Ge, Xueping; Ye, Qiang; Song, Linyong; Misra, Anil; Spencer, Paulette

2014-09-01

The objectives of this study were to synthesize two new siloxane-methacrylate (SM) monomers for application in dentin adhesives and to investigate the influence of different functionality of the siloxane-containing monomers on the adhesive photopolymerization, water sorption, and mechanical properties. Two siloxane-methacrylate monomers (SM1 and SM2) with four and eight methacrylate groups were synthesized. Dentin adhesives containing BisGMA, HEMA and the siloxane-methacrylate monomers were photo-polymerized. The experimental adhesives were compared with the control adhesive (HEMA/BisGMA, 45/55, w/w) and characterized with regard to degree of conversion (DC), water miscibility of the liquid resin, water sorption and dynamic mechanical analysis (DMA). The experimental adhesives exhibited improved water miscibility as compared to the control. When cured in the presence of 12 wt% water to simulate the wet environment of the mouth, the SM-containing adhesives showed DC comparable to the control. The experimental adhesives showed higher rubbery modulus than the control under dry conditions. Under wet conditions, the mechanical properties of the formulations containing SM monomer with increased functionality were comparable with the control, even with more water sorption. The concentration and functionality of the newly synthesized siloxane-methacrylate monomers affected the water miscibility, water sorption and mechanical properties of the adhesives. The experimental adhesives show improved water compatibility compared with the control. The mechanical properties were enhanced with an increase of the functionality of the siloxane-containing monomers. The results provide critical structure/property relationships and important information for future development of durable, versatile siloxane-containing dentin adhesives. Published by Elsevier Ltd.

Physicochemical properties of film-coated melt-extruded pellets.

PubMed

Young, Chistopher R; Crowley, Michael; Dietzsch, Caroline; McGinity, James W

2007-02-01

The purpose of this study was to investigate the physicochemical properties of poly(ethylene oxide) (PEO) and guaifenesin containing beads prepared by a melt-extrusion process and film-coated with a methacrylic acid copolymer. Solubility parameter calculations, thermal gravimetric analysis (TGA), scanning electron microscopy (SEM), modulated differential scanning calorimetry (MDSC), X-ray powder diffraction (XRPD) and high performance liquid chromatography (HPLC) were used to determine drug/polymer miscibility and/or the thermal processibility of the systems. Powder blends of guaifenesin, PEO and functional excipients were processed using a melt-extrusion and spheronization technique and then film-coated in a fluidized bed apparatus. Solubility parameter calculations were used to predict miscibility between PEO and guaifenesin, and miscibility was confirmed by SEM and observation of a single melting point for extruded drug/polymer blends during MDSC investigations. The drug was stable following melt-extrusion as determined by TGA and HPLC; however, drug release rate from pellets decreased upon storage in sealed HDPE containers with silica desiccants at 40 degrees C/75% RH. The weight loss on drying, porosity and tortuosity determinations were not influenced by storage. Recrystallization of guaifenesin and PEO was confirmed by SEM and XRPD. Additionally, the pellets exhibited a change in adhesion behaviour during dissolution testing. The addition of ethylcellulose to the extruded powder blend decreased and stabilized the drug release rate from the thermally processed pellets. The current study also demonstrated film-coating to be an efficient process for providing melt-extruded beads with pH-dependent drug release properties that were stable upon storage at accelerated conditions.

Entropic depletion in colloidal suspensions and polymer liquids: Role of nanoparticle surface topography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Banerjee, Debapriya; Yang, Jian; Schweizer, Kenneth S.

2015-01-01

Here, we employ a hybrid Monte Carlo plus integral equation theory approach to study how dense fluids of small nanoparticles or polymer chains mediate entropic depletion interactions between topographically rough particles where all interaction potentials are hard core repulsion. The corrugated particle surfaces are composed of densely packed beads which present variable degrees of controlled topographic roughness and free volume associated with their geometric crevices. This pure entropy problem is characterized by competing ideal translational and (favorable and unfavorable) excess entropic contributions. Surface roughness generically reduces particle depletion aggregation relative to the smooth hard sphere case. However, the competition betweenmore » ideal and excess packing entropy effects in the bulk, near the particle surface and in the crevices, results in a non-monotonic variation of the particle-monomer packing correlation function as a function of the two dimensionless length scale ratios that quantify the effective surface roughness. As a result, the inter-particle potential of mean force (PMF), second virial coefficient, and spinodal miscibility volume fraction vary non-monotonically with the surface bead to monomer diameter and particle core to surface bead diameter ratios. A miscibility window is predicted corresponding to an optimum degree of surface roughness that completely destroys depletion attraction resulting in a repulsive PMF. Variation of the (dense) matrix packing fraction can enhance or suppress particle miscibility depending upon the amount of surface roughness. Connecting the monomers into polymer chains destabilizes the system via enhanced contact depletion attraction, but the non-monotonic variations with surface roughness metrics persist.« less

Development of a Physiologically Based Pharmacokinetic and Pharmacodynamic Model to Determine Dosimetry and Cholinesterase Inhibition for a Binary Mixture of Chlorpyrifos and Diazinon in the Rat

DOE Office of Scientific and Technical Information (OSTI.GOV)

Timchalk, Chuck; Poet, Torka S.

2008-05-01

Physiologically based pharmacokinetic/pharmacodynamic (PBPK/PD) models have been developed and validated for the organophosphorus (OP) insecticides chlorpyrifos (CPF) and diazinon (DZN). Based on similar pharmacokinetic and mode of action properties it is anticipated that these OPs could interact at a number of important metabolic steps including: CYP450 mediated activation/detoxification, and blood/tissue cholinesterase (ChE) binding/inhibition. We developed a binary PBPK/PD model for CPF, DZN and their metabolites based on previously published models for the individual insecticides. The metabolic interactions (CYP450) between CPF and DZN were evaluated in vitro and suggests that CPF is more substantially metabolized to its oxon metabolite than ismore » DZN. These data are consistent with their observed in vivo relative potency (CPF>DZN). Each insecticide inhibited the other’s in vitro metabolism in a concentration-dependent manner. The PBPK model code used to described the metabolism of CPF and DZN was modified to reflect the type of inhibition kinetics (i.e. competitive vs. non-competitive). The binary model was then evaluated against previously published rodent dosimetry and ChE inhibition data for the mixture. The PBPK/PD model simulations of the acute oral exposure to single- (15 mg/kg) vs. binary-mixtures (15+15 mg/kg) of CFP and DZN at this lower dose resulted in no differences in the predicted pharmacokinetics of either the parent OPs or their respective metabolites; whereas, a binary oral dose of CPF+DZN at 60+60 mg/kg did result in observable changes in the DZN pharmacokinetics. Cmax was more reasonably fit by modifying the absorption parameters. It is anticipated that at low environmentally relevant binary doses, most likely to be encountered in occupational or environmental related exposures, that the pharmacokinetics are expected to be linear, and ChE inhibition dose-additive.« less

Probing Ultracool Atmospheres and Substellar Interiors with Dynamical Masses

NASA Astrophysics Data System (ADS)

Dupuy, Trent

2010-09-01

After years of patient orbital monitoring, there is now a large sample of very low-mass stars and brown dwarfs with precise { 5%} dynamical masses. These binaries represent the gold standard for testing substellar theoretical models. Work to date has identified problems with the model-predicted broad-band colors, effective temperatures, and possibly even luminosity evolution with age. However, our ability to test models is currently limited by how well the individual components of these highly prized binaries are characterized. To solve this problem, we propose to use NICMOS and STIS to characterize this first large sample of ultracool binaries with well-determined dynamical masses. We will use NICMOS multi-band photometry to measure the SEDs of the binary components and thereby precisely estimate their spectral types and effective temperatures. We will use STIS to obtain resolved spectroscopy of the Li I doublet at 6708 A for a subset of three binaries whose masses lie very near the theoretical mass limit for lithium burning. The STIS data will provide the first ever resolved lithium measurements for brown dwarfs of known mass, enabling a direct probe of substellar interiors. Our proposed HST observations to characterize the components of these binaries is much less daunting in comparison to the years of orbital monitoring needed to yield dynamical masses, but these HST data are equally vital for robust tests of theory.

Constraining the Radiation and Plasma Environment of the Kepler Circumbinary Habitable-zone Planets

NASA Astrophysics Data System (ADS)

Zuluaga, Jorge I.; Mason, Paul A.; Cuartas-Restrepo, Pablo A.

2016-02-01

The discovery of many planets using the Kepler telescope includes 10 planets orbiting eight binary stars. Three binaries, Kepler-16, Kepler-47, and Kepler-453, have at least one planet in the circumbinary habitable zone (BHZ). We constrain the level of high-energy radiation and the plasma environment in the BHZ of these systems. With this aim, BHZ limits in these Kepler binaries are calculated as a function of time, and the habitability lifetimes are estimated for hypothetical terrestrial planets and/or moons within the BHZ. With the time-dependent BHZ limits established, a self-consistent model is developed describing the evolution of stellar activity and radiation properties as proxies for stellar aggression toward planetary atmospheres. Modeling binary stellar rotation evolution, including the effect of tidal interaction between stars in binaries, is key to establishing the environment around these systems. We find that Kepler-16 and its binary analogs provide a plasma environment favorable for the survival of atmospheres of putative Mars-sized planets and exomoons. Tides have modified the rotation of the stars in Kepler-47, making its radiation environment less harsh in comparison to the solar system. This is a good example of the mechanism first proposed by Mason et al. Kepler-453 has an environment similar to that of the solar system with slightly better than Earth radiation conditions at the inner edge of the BHZ. These results can be reproduced and even reparameterized as stellar evolution and binary tidal models progress, using our online tool http://bhmcalc.net.

CONSTRAINING THE RADIATION AND PLASMA ENVIRONMENT OF THE KEPLER CIRCUMBINARY HABITABLE-ZONE PLANETS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zuluaga, Jorge I.; Mason, Paul A.; Cuartas-Restrepo, Pablo A.

The discovery of many planets using the Kepler telescope includes 10 planets orbiting eight binary stars. Three binaries, Kepler-16, Kepler-47, and Kepler-453, have at least one planet in the circumbinary habitable zone (BHZ). We constrain the level of high-energy radiation and the plasma environment in the BHZ of these systems. With this aim, BHZ limits in these Kepler binaries are calculated as a function of time, and the habitability lifetimes are estimated for hypothetical terrestrial planets and/or moons within the BHZ. With the time-dependent BHZ limits established, a self-consistent model is developed describing the evolution of stellar activity and radiation propertiesmore » as proxies for stellar aggression toward planetary atmospheres. Modeling binary stellar rotation evolution, including the effect of tidal interaction between stars in binaries, is key to establishing the environment around these systems. We find that Kepler-16 and its binary analogs provide a plasma environment favorable for the survival of atmospheres of putative Mars-sized planets and exomoons. Tides have modified the rotation of the stars in Kepler-47, making its radiation environment less harsh in comparison to the solar system. This is a good example of the mechanism first proposed by Mason et al. Kepler-453 has an environment similar to that of the solar system with slightly better than Earth radiation conditions at the inner edge of the BHZ. These results can be reproduced and even reparameterized as stellar evolution and binary tidal models progress, using our online tool http://bhmcalc.net.« less

On the development and applications of automated searches for eclipsing binary stars

NASA Astrophysics Data System (ADS)

Devor, Jonathan

Eclipsing binary star systems provide the most accurate method of measuring both the masses and radii of stars. Moreover, they enable testing tidal synchronization and circularization theories, as well as constraining models of stellar structure and dynamics. With the recent availability of large-scale multi-epoch photometric datasets, we are able to study eclipsing binary stars en masse. In this thesis, we analyzed 185,445 light curves from ten TrES fields, and 218,699 light curves from the OGLE II bulge fields. In order to manage such large quantities of data, we developed a pipeline with which we systematically identified eclipsing binaries, solved for their geometric orientations, and then found their components' absolute properties. Following this analysis, we assembled catalogs of eclipsing binaries with their models, computed statistical distributions of their properties, and located rare cases for further follow-up. Of particular importance are low-mass eclipsing binaries, which are rare, yet critical for resolving the ongoing mass-radius discrepancy between theoretical models and observations. To this end, we have discovered over a dozen new low-mass eclipsing binary candidates, and spectroscopically confirmed the masses of five of them. One of these confirmed candidates, T-Lyr1-17236, is especially interesting because of its uniquely long orbital period. We examined T-Lyr1-17236 in detail and found that it is consistent with the magnetic disruption hypothesis for explaining the observed mass-radius discrepancy. Both the source code of our pipeline and the complete list of our candidates are freely available.

SALT HRS discovery of a long-period double-degenerate binary in the planetary nebula NGC 1360

NASA Astrophysics Data System (ADS)

Miszalski, B.; Manick, R.; Mikołajewska, J.; Iłkiewicz, K.; Kamath, D.; Van Winckel, H.

2018-01-01

Whether planetary nebulae (PNe) are predominantly the product of binary stellar evolution as some population synthesis models (PSM) suggest remains an open question. Around 50 short-period binary central stars (P ∼ 1 d) are known, but with only four with measured orbital periods over 10 d, our knowledge is severely incomplete. Here we report on the first discovery from a systematic Southern African Large Telescope (SALT) High Resolution Spectrograph (HRS) survey for long-period binary central stars. We find a 142 d orbital period from radial velocities of the central star of NGC 1360, HIP 16566. NGC 1360 appears to be the product of common-envelope (CE) evolution, with nebula features similar to post-CE PNe, albeit with an orbital period considerably longer than expected to be typical of post-CE PSM. The most striking feature is a newly identified ring of candidate low-ionization structures. Previous spatiokinematic modelling of the nebula gives a nebula inclination of 30° ± 10°, and assuming the binary nucleus is coplanar with the nebula, multiwavelength observations best fit a more massive, evolved white dwarf (WD) companion. A WD companion in a 142 d orbit is not the focus of many PSM, making NGC 1360 a valuable system with which to improve future PSM work. HIP 16566 is amongst many central stars in which large radial velocity variability was found by low-resolution surveys. The discovery of its binary nature may indicate long-period binaries may be more common than PSM models predict.

Complete waveform model for compact binaries on eccentric orbits

NASA Astrophysics Data System (ADS)

Huerta, E. A.; Kumar, Prayush; Agarwal, Bhanu; George, Daniel; Schive, Hsi-Yu; Pfeiffer, Harald P.; Haas, Roland; Ren, Wei; Chu, Tony; Boyle, Michael; Hemberger, Daniel A.; Kidder, Lawrence E.; Scheel, Mark A.; Szilagyi, Bela

2017-01-01

We present a time domain waveform model that describes the inspiral, merger and ringdown of compact binary systems whose components are nonspinning, and which evolve on orbits with low to moderate eccentricity. The inspiral evolution is described using third-order post-Newtonian equations both for the equations of motion of the binary, and its far-zone radiation field. This latter component also includes instantaneous, tails and tails-of-tails contributions, and a contribution due to nonlinear memory. This framework reduces to the post-Newtonian approximant TaylorT4 at third post-Newtonian order in the zero-eccentricity limit. To improve phase accuracy, we also incorporate higher-order post-Newtonian corrections for the energy flux of quasicircular binaries and gravitational self-force corrections to the binding energy of compact binaries. This enhanced prescription for the inspiral evolution is combined with a fully analytical prescription for the merger-ringdown evolution constructed using a catalog of numerical relativity simulations. We show that this inspiral-merger-ringdown waveform model reproduces the effective-one-body model of Ref. [Y. Pan et al., Phys. Rev. D 89, 061501 (2014)., 10.1103/PhysRevD.89.061501] for quasicircular black hole binaries with mass ratios between 1 to 15 in the zero-eccentricity limit over a wide range of the parameter space under consideration. Using a set of eccentric numerical relativity simulations, not used during calibration, we show that our new eccentric model reproduces the true features of eccentric compact binary coalescence throughout merger. We use this model to show that the gravitational-wave transients GW150914 and GW151226 can be effectively recovered with template banks of quasicircular, spin-aligned waveforms if the eccentricity e0 of these systems when they enter the aLIGO band at a gravitational-wave frequency of 14 Hz satisfies e0GW 150914≤0.15 and e0GW 151226≤0.1 . We also find that varying the spin combinations of the quasicircular, spin-aligned template waveforms does not improve the recovery of nonspinning, eccentric signals when e0≥0.1 . This suggests that these two signal manifolds are predominantly orthogonal.

Bayesian model-emulation of stochastic gravitational-wave spectra for probes of the final-parsec problem with pulsar-timing arrays

NASA Astrophysics Data System (ADS)

Taylor, Stephen R.; Simon, Joseph; Sampson, Laura

2017-01-01

The final parsec of supermassive black-hole binary evolution is subject to the complex interplay of stellar loss-cone scattering, circumbinary disk accretion, and gravitational-wave emission, with binary eccentricity affected by all of these. The strain spectrum of gravitational-waves in the pulsar-timing band thus encodes rich information about the binary population's response to these various environmental mechanisms. Current spectral models have heretofore followed basic analytic prescriptions, and attempt to investigate these final-parsec mechanisms in an indirect fashion. Here we describe a new technique to directly probe the environmental properties of supermassive black-hole binaries through "Bayesian model-emulation". We perform black-hole binary population synthesis simulations at a restricted set of environmental parameter combinations, compute the strain spectra from these, then train a Gaussian process to learn the shape of the spectrum at any point in parameter space. We describe this technique, demonstrate its efficacy with a program of simulated datasets, then illustrate its power by directly constraining final-parsec physics in a Bayesian analysis of the NANOGrav 5-year dataset. The technique is fast, flexible, and robust.

Bayesian model-emulation of stochastic gravitational-wave spectra for probes of the final-parsec problem with pulsar-timing arrays

NASA Astrophysics Data System (ADS)

Taylor, Stephen; Simon, Joseph; Sampson, Laura

2017-01-01

The final parsec of supermassive black-hole binary evolution is subject to the complex interplay of stellar loss-cone scattering, circumbinary disk accretion, and gravitational-wave emission, with binary eccentricity affected by all of these. The strain spectrum of gravitational-waves in the pulsar-timing band thus encodes rich information about the binary population's response to these various environmental mechanisms. Current spectral models have heretofore followed basic analytic prescriptions, and attempt to investigate these final-parsec mechanisms in an indirect fashion. Here we describe a new technique to directly probe the environmental properties of supermassive black-hole binaries through ``Bayesian model-emulation''. We perform black-hole binary population synthesis simulations at a restricted set of environmental parameter combinations, compute the strain spectra from these, then train a Gaussian process to learn the shape of spectrum at any point in parameter space. We describe this technique, demonstrate its efficacy with a program of simulated datasets, then illustrate its power by directly constraining final-parsec physics in a Bayesian analysis of the NANOGrav 5-year dataset. The technique is fast, flexible, and robust.

Discretization limits of multi-component lattice-Boltzmann methods and implications on the real porous media simulations

NASA Astrophysics Data System (ADS)

Herring, A. L.; Li, Z.; Middleton, J.; Varslot, T.; McClure, J. E.; Sheppard, A.

2017-12-01

Multicomponent lattice-Boltzmann (LB) modeling is widely applied to study two-phase flow in various porous media. However, the impact on LB modeling of the fundamental trade-off between image resolution and field of view has received relatively little attention. This is important since 3D images of geological samples rarely have both sufficient resolution to capture fine structure and sufficient field of view to capture a full representative elementary volume of the medium. To optimize the simulations, it is important to know the minimum number of grid points that LB methods require to deliver physically meaningful results, and allow for the sources of measurement uncertainty to be appropriately balanced. In this work, we study the behavior of the Shan-Chen (SC) and Rothman-Keller (RK) models when the phase interfacial radius of curvature and the feature size of the medium approach the discrete unit size of the computational grid. Both simple, small-scale test geometries and real porous media are considered. Models' behavior in the extreme discrete limit is classified ranging from gradual loss of accuracy to catastrophic numerical breakdown. Based on this study, we provide guidance for experimental data collection and how to apply the LBM to accurately resolve physics of interest for two-fluid flow in porous media. Resolution effects are particularly relevant to the study of low-porosity systems, including fractured materials, when the typical pore width may only be a few voxels across.Overall, we find that the shortcoming of the SC model predominantly arises from the strongly pressure-dependent miscibility of the fluid components, where small droplets with high interfacial curvature have an exaggerated tendency to dissolve into the surrounding fluid. For the RK model, the most significant shortcoming is unphysical flow of non-wetting phase through narrow channels and crevices (2 voxels across or smaller), which we observed both in simple capillary tube and realistic porous medium. This process generates unphysical non-wetting phase ganglia that are hard to distinguish from ganglia of physical origin (e.g. arising from snap-off). While both methods have advantages and shortcomings, the RK model with modern enhancements seems to exhibit fewer instabilities, and is more suitable for system of low miscibility.

Population of Nuclei Via 7Li-Induced Binary Reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clark, R M; Phair, L W; Descovich, M

2005-08-09

The authors have investigated the population of nuclei formed in binary reactions involving {sup 7}Li beams on targets of {sup 160}Gd and {sup 184}W. The {sup 7}Li + {sup 184}W data were taken in the first experiment using the LIBERACE Ge-array in combination with the STARS Si {Delta}E-E telescope system at the 88-Inch Cyclotron of the Lawrence Berkeley National Laboratory. By using the Wilczynski binary transfer model, in combination with a standard evaporation model, they are able to reproduce the experimental results. This is a useful method for predicting the population of neutron-rich heavy nuclei formed in binary reactions involvingmore » beams of weakly bound nuclei and will be of use in future spectroscopic studies.« less

Probing the Milky Way electron density using multi-messenger astronomy

NASA Astrophysics Data System (ADS)

Breivik, Katelyn; Larson, Shane

2015-04-01

Multi-messenger observations of ultra-compact binaries in both gravitational waves and electromagnetic radiation supply highly complementary information, providing new ways of characterizing the internal dynamics of these systems, as well as new probes of the galaxy itself. Electron density models, used in pulsar distance measurements via the electron dispersion measure, are currently not well constrained. Simultaneous radio and gravitational wave observations of pulsars in binaries provide a method of measuring the average electron density along the line of sight to the pulsar, thus giving a new method for constraining current electron density models. We present this method and assess its viability with simulations of the compact binary component of the Milky Way using the public domain binary evolution code, BSE. This work is supported by NASA Award NNX13AM10G.

Research in astrophysical processes

NASA Technical Reports Server (NTRS)

Ruderman, Malvin A.

1994-01-01

Work completed under this grant is summarized in the following areas:(1) radio pulsar turn on and evaporation of companions in very low mass x-ray binaries and in binary radio pulsar systems; (2) effects of magnetospheric pair production on the radiation from gamma-ray pulsars; (3) radiation transfer in the atmosphere of an illuminated companion star; (4) evaporation of millisecond pulsar companions;(5) formation of planets around pulsars; (6) gamma-ray bursts; (7) quasi-periodic oscillations in low mass x-ray binaries; (8) origin of high mass x-ray binaries, runaway OB stars, and the lower mass cutoff for core collapse supernovae; (9) dynamics of planetary atmospheres; (10) two point closure modeling of stationary, forced turbulence; (11) models for the general circulation of Saturn; and (12) compressible convection in stellar interiors.

A study of the kinetics and isotherms for Cr(VI) adsorption in a binary mixture of Cr(VI)-Ni(II) using hierarchical porous carbon obtained from pig bone.

PubMed

Li, Chengxian; Huang, Zhe; Huang, Bicheng; Liu, Changfeng; Li, Chengming; Huang, Yaqin

2014-01-01

Cr(VI) adsorption in a binary mixture Cr(VI)-Ni(II) using the hierarchical porous carbon prepared from pig bone (HPC) was investigated. The various factors affecting adsorption of Cr(VI) ions from aqueous solutions such as initial concentration, pH, temperature and contact time were analyzed. The results showed excellent efficiency of Cr(VI) adsorption by HPC. The kinetics and isotherms for Cr(VI) adsorption from a binary mixture Cr(VI)-Ni(II) by HPC were studied. The adsorption equilibrium described by the Langmuir isotherm model is better than that described by the Freundlich isotherm model for the binary mixture in this study. The maximum adsorption capacity was reliably found to be as high as 192.68 mg/g in the binary mixture at pH 2. On fitting the experimental data to both pseudo-first- and second-order equations, the regression analysis of the second-order equation gave a better R² value.

Isobaric vapor-liquid equilibria for binary systems α-phenylethylamine + toluene and α-phenylethylamine + cyclohexane at 100 kPa

NASA Astrophysics Data System (ADS)

Wu, Xiaoru; Gao, Yingyu; Ban, Chunlan; Huang, Qiang

2016-09-01

In this paper the results of the vapor-liquid equilibria study at 100 kPa are presented for two binary systems: α-phenylethylamine(1) + toluene (2) and (α-phenylethylamine(1) + cyclohexane(2)). The binary VLE data of the two systems were correlated by the Wilson, NRTL, and UNIQUAC models. For each binary system the deviations between the results of the correlations and the experimental data have been calculated. For the both binary systems the average relative deviations in temperature for the three models were lower than 0.99%. The average absolute deviations in vapour phase composition (mole fractions) and in temperature T were lower than 0.0271 and 1.93 K, respectively. Thermodynamic consistency has been tested for all vapor-liquid equilibrium data by the Herrington method. The values calculated by Wilson and NRTL equations satisfied the thermodynamics consistency test for the both two systems, while the values calculated by UNIQUAC equation didn't.

A stellar audit: the computation of encounter rates for 47 Tucanae and omega Centauri

NASA Astrophysics Data System (ADS)

Davies, Melvyn B.; Benz, Willy

1995-10-01

Using King-Mitchie models, we compute encounter rates between the various stellar species in the globular clusters omega Cen and 47 Tuc. We also compute event rates for encounters between single stars and a population of primordial binaries. Using these rates, and what we have learnt from hydrodynamical simulations of encounters performed earlier, we compute the production rates of objects such as low-mass X-ray binaries (LMXBs), smothered neutron stars and blue stragglers (massive main-sequence stars). If 10 per cent of the stars are contained in primordial binaries, the production rate of interesting objects from encounters involving these binaries is as large as that from encounters between single stars. For example, encounters involving binaries produce a significant number of blue stragglers in both globular cluster models. The number of smothered neutron stars may exceed the number of LMXBs by a factor of 5-20, which may help to explain why millisecond pulsars are observed to outnumber LMXBs in globular clusters.

Rényi entropy measure of noise-aided information transmission in a binary channel.

PubMed

Chapeau-Blondeau, François; Rousseau, David; Delahaies, Agnès

2010-05-01

This paper analyzes a binary channel by means of information measures based on the Rényi entropy. The analysis extends, and contains as a special case, the classic reference model of binary information transmission based on the Shannon entropy measure. The extended model is used to investigate further possibilities and properties of stochastic resonance or noise-aided information transmission. The results demonstrate that stochastic resonance occurs in the information channel and is registered by the Rényi entropy measures at any finite order, including the Shannon order. Furthermore, in definite conditions, when seeking the Rényi information measures that best exploit stochastic resonance, then nontrivial orders differing from the Shannon case usually emerge. In this way, through binary information transmission, stochastic resonance identifies optimal Rényi measures of information differing from the classic Shannon measure. A confrontation of the quantitative information measures with visual perception is also proposed in an experiment of noise-aided binary image transmission.

A Gamma-Ray Burst Model Via Compressional Heating of Binary Neutron Stars

NASA Astrophysics Data System (ADS)

Salmonson, J. D.; Wilson, J. R.; Mathews, G. J.

1998-12-01

We present a model for gamma-ray bursts based on the compression of neutron stars in close binary systems. General relativistic (GR) simulations of close neutron star binaries have found compression of the neutron stars estimated to produce 1053 ergs of thermal neutrinos on a timescale of seconds. The hot neutron stars will emit neutrino pairs which will partially recombine to form 1051 to 1052 ergs of electron-positron (e^-e^+) pair plasma. GR hydrodynamic computational modeling of the e^-e^+ plasma flow and recombination yield a gamma-ray burst in good agreement with general characteristics (duration ~10 seconds, spectrum peak energy ~100 keV, total energy ~1051 ergs) of many observed gamma-ray bursts.

Experimental and Theoretical Investigations of Charged Phospholipid Bilayers.

NASA Astrophysics Data System (ADS)

Graham, Ian Stanley

1987-09-01

Lipid systems containing charged species are examined by both experiment and theory. Experimental studies of the mixing of phosphatidylcholine or phosphatidylethanolamine with phosphatidic acid show that calcium induces fast ( <=q1s) phase separation of these otherwise miscible systems, and that this can occur in an isolated bilayer. Ionogenic behaviour is theoretically investigated using a new electrolyte model which explicitly includes both the solvent and particle sizes, and a binding model which uses Guggenheim combinatorics to treat non 1-1 binding stoichiometries. This work predicts a reduced dielectric constant near charged surfaces and strong repulsive forces between closely spaced (<15A) surfaces. A reanalysis of data from charged monolayers experiments indicates (1) that the new electrolyte model describes double layer behaviour at high surface charge densities better than the traditional Derjaguin - Landau - Verwey - Overbeek (DLVO) theory, (2) that calcium and magnesium bind to phosphatidylserine monolayers with a 1-1 stoichiometry.

Discovery of a Highly Unequal-mass Binary T Dwarf with Keck Laser Guide Star Adaptive Optics: A Coevality Test of Substellar Theoretical Models and Effective Temperatures

NASA Astrophysics Data System (ADS)

Liu, Michael C.; Dupuy, Trent J.; Leggett, S. K.

2010-10-01

Highly unequal-mass ratio binaries are rare among field brown dwarfs, with the mass ratio distribution of the known census described by q (4.9±0.7). However, such systems enable a unique test of the joint accuracy of evolutionary and atmospheric models, under the constraint of coevality for the individual components (the "isochrone test"). We carry out this test using two of the most extreme field substellar binaries currently known, the T1 + T6 epsilon Ind Bab binary and a newly discovered 0farcs14 T2.0 + T7.5 binary, 2MASS J12095613-1004008AB, identified with Keck laser guide star adaptive optics. The latter is the most extreme tight binary resolved to date (q ≈ 0.5). Based on the locations of the binary components on the Hertzsprung-Russell (H-R) diagram, current models successfully indicate that these two systems are coeval, with internal age differences of log(age) = -0.8 ± 1.3(-1.0+1.2 -1.3) dex and 0.5+0.4 -0.3(0.3+0.3 -0.4) dex for 2MASS J1209-1004AB and epsilon Ind Bab, respectively, as inferred from the Lyon (Tucson) models. However, the total mass of epsilon Ind Bab derived from the H-R diagram (≈ 80 M Jup using the Lyon models) is strongly discrepant with the reported dynamical mass. This problem, which is independent of the assumed age of the epsilon Ind Bab system, can be explained by a ≈ 50-100 K systematic error in the model atmosphere fitting, indicating slightly warmer temperatures for both components; bringing the mass determinations from the H-R diagram and the visual orbit into consistency leads to an inferred age of ≈ 6 Gyr for epsilon Ind Bab, older than previously assumed. Overall, the two T dwarf binaries studied here, along with recent results from T dwarfs in age and mass benchmark systems, yield evidence for small (≈100 K) errors in the evolutionary models and/or model atmospheres, but not significantly larger. Future parallax, resolved spectroscopy, and dynamical mass measurements for 2MASS J1209-1004AB will enable a more stringent application of the isochrone test. Finally, the binary nature of this object reduces its utility as the primary T3 near-IR spectral typing standard; we suggest SDSS J1206+2813 as a replacement. Most of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation.

Formation and Evolution of X-ray Binaries

NASA Astrophysics Data System (ADS)

Shao, Y.

2017-07-01

X-ray binaries are a class of binary systems, in which the accretor is a compact star (i.e., black hole, neutron star, or white dwarf). They are one of the most important objects in the universe, which can be used to study not only binary evolution but also accretion disks and compact stars. Statistical investigations of these binaries help to understand the formation and evolution of galaxies, and sometimes provide useful constraints on the cosmological models. The goal of this thesis is to investigate the formation and evolution processes of X-ray binaries including Be/X-ray binaries, low-mass X-ray binaries (LMXBs), ultraluminous X-ray sources (ULXs), and cataclysmic variables. In Chapter 1 we give a brief review on the basic knowledge of the binary evolution. In Chapter 2 we discuss the formation of Be stars through binary interaction. In this chapter we investigate the formation of Be stars resulting from mass transfer in binaries in the Galaxy. Using binary evolution and population synthesis calculations, we find that in Be/neutron star binaries the Be stars have a lower limit of mass ˜ 8 M⊙ if they are formed by a stable (i.e., without the occurrence of common envelope evolution) and nonconservative mass transfer. We demonstrate that the isolated Be stars may originate from both mergers of two main-sequence stars and disrupted Be binaries during the supernova explosions of the primary stars, but mergers seem to play a much more important role. Finally the fraction of Be stars produced by binary interactions in all B type stars can be as high as ˜ 13%-30% , implying that most of Be stars may result from binary interaction. In Chapter 3 we show the evolution of intermediate- and low-mass X-ray binaries (I/LMXBs) and the formation of millisecond pulsars. Comparing the calculated results with the observations of binary radio pulsars, we report the following results: (1) The allowed parameter space for forming binary pulsars in the initial orbital period-donor mass plane increases with the increasing neutron star mass. This may help to explain why some millisecond pulsars with orbital periods longer than ˜ 60 d seem to have less massive white dwarfs than expected. Alternatively, some of these wide binary pulsars may be formed through mass transfer driven by planet/brown dwarf-involved common envelope evolution; (2) Some of the pulsars in compact binaries might have evolved from intermediate-mass X-ray binaries with an anomalous magnetic braking; (3) The equilibrium spin periods of neutron stars in low-mass X-ray binaries are in general shorter than the observed spin periods of binary pulsars by more than one order of magnitude, suggesting that either the simple equilibrium spin model does not apply, or there are other mechanisms/processes spinning down the neutron stars. In Chapter 4, angular momentum loss mechanisms in the cataclysmic variables below the period gap are presented. By considering several kinds of consequential angular momentum loss mechanisms, we find that neither isotropic wind from the white dwarf nor outflow from the L1 point can explain the extra angular momentum loss rate, while an ouflow from the L2 point or a circumbinary disk can effectively extract the angular momentum provided that ˜ 15%-45% of the transferred mass is lost from the binary. A more promising mechanism is a circumbinary disk exerting a gravitational torque on the binary. In this case the mass loss fraction can be as low as ≲ 10-3. In Chapter 5 we present a study on the population of ultraluminous X-ray sources with an accreting neutron star. Most ULXs are believed to be X-ray binary systems, but previous observational and theoretical studies tend to prefer a black hole rather than a neutron star accretor. The recent discovery of 1.37 s pulsations from the ULX M82 X-2 has established its nature as a magnetized neutron star. In this chapter we model the formation history of neutron star ULXs in an M82- or Milky Way-like galaxy, by use of both binary population synthesis and detailed binary evolution calculations. We find that the birthrate is around 10-4 yr-1 for the incipient X-ray binaries in both cases. We demonstrate the distribution of the ULX population in the donor mass - orbital period plane. Our results suggest that, compared with black hole X-ray binaries, neutron star X-ray binaries may significantly contribute to the ULX population, and high/intermediate-mass X-ray binaries dominate the neutron star ULX population in M82/Milky Way-like galaxies, respectively. In Chapter 6, the population of intermediate- and low-mass X-ray binaries in the Galaxy is explored. We investigate the formation and evolutionary sequences of Galactic intermediate- and low-mass X-ray binaries by combining binary population synthesis (BPS) and detailed stellar evolutionary calculations. Using an updated BPS code we compute the evolution of massive binaries that leads to the formation of incipient I/LMXBs, and present their distribution in the initial donor mass vs. initial orbital period diagram. We then follow the evolution of I/LMXBs until the formation of binary millisecond pulsars (BMSPs). We show that during the evolution of I/LMXBs they are likely to be observed as relatively compact binaries. The resultant BMSPs have orbital periods ranging from about 1 day to a few hundred days. These features are consistent with observations of LMXBs and BMSPs. We also confirm the discrepancies between theoretical predictions and observations mentioned in the literature, that is, the theoretical average mass transfer rates of LMXBs are considerably lower than observed, and the number of BMSPs with orbital periods ˜ 0.1-1 \\unit{d} is severely underestimated. Both imply that something is missing in the modeling of LMXBs, which is likely to be related to the mechanisms of the orbital angular momentum loss. Finally in Chapter 7 we summarize our results and give the prospects for the future work.

Expanding the catalog of binary black-hole simulations: aligned-spin configurations

NASA Astrophysics Data System (ADS)

Chu, Tony; Pfeiffer, Harald; Scheel, Mark; Szilagyi, Bela; SXS Collaboration

2015-04-01

A major goal of numerical relativity is to model the inspiral and merger of binary black holes through sufficiently accurate and long simulations, to enable the successful detection of gravitational waves. However, covering the full parameter space of binary configurations is a computationally daunting task. The SXS Collaboration has made important progress in this direction recently, with a catalog of 174 publicly available binary black-hole simulations [black-holes.org/waveforms]. Nevertheless, the parameter-space coverage remains sparse, even for non-precessing binaries. In this talk, I will describe an addition to the SXS catalog to improve its coverage, consisting of 95 new simulations of aligned-spin binaries with moderate mass ratios and dimensionless spins as high as 0.9. Some applications of these new simulations will also be mentioned.

Formation of a 'planet' by rapid evaporation of a pulsar's companion

NASA Technical Reports Server (NTRS)

Rasio, F. A.; Shapiro, S. L.; Teukolsky, S. A.

1992-01-01

A model based on the binary configuration of the PSR1829-10 pulsar (Bailes et al., 1991) is used to show that the formation of a binary pulsar with a planet-size companion, large original separation, and small eccentricity could result from the rapid evaporation of a much more massive binary companion by the pulsar's radiation. Such an evaporation process is known to be taking place in at least two other binary pulsars: PSR1957 + 20 (Fruchter et al., 1990; Ryba and Taylor, 1991) and PSR1744 - 24A (Lyne et al., 1990). It is shown here that, about one million years ago, the companion mass and binary separation could have been comparable to those currently observed in the eclipsing binary pulsar PSR1957 + 20.

A complete waveform model for compact binaries on eccentric orbits

NASA Astrophysics Data System (ADS)

George, Daniel; Huerta, Eliu; Kumar, Prayush; Agarwal, Bhanu; Schive, Hsi-Yu; Pfeiffer, Harald; Chu, Tony; Boyle, Michael; Hemberger, Daniel; Kidder, Lawrence; Scheel, Mark; Szilagyi, Bela

2017-01-01

We present a time domain waveform model that describes the inspiral, merger and ringdown of compact binary systems whose components are non-spinning, and which evolve on orbits with low to moderate eccentricity. We show that this inspiral-merger-ringdown waveform model reproduces the effective-one-body model for black hole binaries with mass-ratios between 1 to 15 in the zero eccentricity limit over a wide range of the parameter space under consideration. We use this model to show that the gravitational wave transients GW150914 and GW151226 can be effectively recovered with template banks of quasicircular, spin-aligned waveforms if the eccentricity e0 of these systems when they enter the aLIGO band at a gravitational wave frequency of 14 Hz satisfies e0GW 150914 <= 0 . 15 and e0GW 151226 <= 0 . 1 .

Constraining f(R) gravity in solar system, cosmology and binary pulsar systems

NASA Astrophysics Data System (ADS)

Liu, Tan; Zhang, Xing; Zhao, Wen

2018-02-01

The f (R) gravity can be cast into the form of a scalar-tensor theory, and scalar degree of freedom can be suppressed in high-density regions by the chameleon mechanism. In this article, for the general f (R) gravity, using a scalar-tensor representation with the chameleon mechanism, we calculate the parametrized post-Newtonian parameters γ and β, the effective gravitational constant Geff, and the effective cosmological constant Λeff. In addition, for the general f (R) gravity, we also calculate the rate of orbital period decay of the binary system due to gravitational radiation. Then we apply these results to specific f (R) models (Hu-Sawicki model, Tsujikawa model and Starobinsky model) and derive the constraints on the model parameters by combining the observations in solar system, cosmological scales and the binary systems.

surrkick: Black-hole kicks from numerical-relativity surrogate models

NASA Astrophysics Data System (ADS)

Gerosa, Davide; Hébert, François; Stein, Leo C.

2018-04-01

surrkick quickly and reliably extract recoils imparted to generic, precessing, black hole binaries. It uses a numerical-relativity surrogate model to obtain the gravitational waveform given a set of binary parameters, and from this waveform directly integrates the gravitational-wave linear momentum flux. This entirely bypasses the need of fitting formulae which are typically used to model black-hole recoils in astrophysical contexts.

DNS, LES and Stochastic Modeling of Turbulent Reacting Flows

DTIC Science & Technology

1994-03-01

NY, 1972. 3 [181 Miller , R. S., Frankel, S. H., Madnia, C. K., and Givi, P., Johnson-Edgeworth Trans- lation for Probability Modeling of Binary Mixing...Givi, " Modeling of Isotropic are also grateful to Richard Miller for many useful discussions. This Reacting Turbulence by a Hybrid Mapping-EDQNM...United State of America * Johnson-Edgeworth Translation for Probability Modeling of Binary Scalar Mixing in Turbulent Flows I R. S. MILLER , S. H

Binary Disassembly Block Coverage by Symbolic Execution vs. Recursive Descent

DTIC Science & Technology

2012-03-01

explores the effectiveness of symbolic execution on packed or obfuscated samples of the same binaries to generate a model-based evaluation of success...24 2.3.4.1 Packing . . . . . . . . . . . . . . . . . . . . . . . . . . 25 2.3.4.2 Techniques...inner workings of UPX (Universal Packer for eXecutables), a common packing tool, on a Windows binary. Image source: GFC08 . . . . . . . . . . . 25 3.1

Logic models to predict continuous outputs based on binary inputs with an application to personalized cancer therapy

PubMed Central

Knijnenburg, Theo A.; Klau, Gunnar W.; Iorio, Francesco; Garnett, Mathew J.; McDermott, Ultan; Shmulevich, Ilya; Wessels, Lodewyk F. A.

2016-01-01

Mining large datasets using machine learning approaches often leads to models that are hard to interpret and not amenable to the generation of hypotheses that can be experimentally tested. We present ‘Logic Optimization for Binary Input to Continuous Output’ (LOBICO), a computational approach that infers small and easily interpretable logic models of binary input features that explain a continuous output variable. Applying LOBICO to a large cancer cell line panel, we find that logic combinations of multiple mutations are more predictive of drug response than single gene predictors. Importantly, we show that the use of the continuous information leads to robust and more accurate logic models. LOBICO implements the ability to uncover logic models around predefined operating points in terms of sensitivity and specificity. As such, it represents an important step towards practical application of interpretable logic models. PMID:27876821

Logic models to predict continuous outputs based on binary inputs with an application to personalized cancer therapy.

PubMed

Knijnenburg, Theo A; Klau, Gunnar W; Iorio, Francesco; Garnett, Mathew J; McDermott, Ultan; Shmulevich, Ilya; Wessels, Lodewyk F A

2016-11-23

Mining large datasets using machine learning approaches often leads to models that are hard to interpret and not amenable to the generation of hypotheses that can be experimentally tested. We present 'Logic Optimization for Binary Input to Continuous Output' (LOBICO), a computational approach that infers small and easily interpretable logic models of binary input features that explain a continuous output variable. Applying LOBICO to a large cancer cell line panel, we find that logic combinations of multiple mutations are more predictive of drug response than single gene predictors. Importantly, we show that the use of the continuous information leads to robust and more accurate logic models. LOBICO implements the ability to uncover logic models around predefined operating points in terms of sensitivity and specificity. As such, it represents an important step towards practical application of interpretable logic models.

An instrumental variable random-coefficients model for binary outcomes

PubMed Central

Chesher, Andrew; Rosen, Adam M

2014-01-01

In this paper, we study a random-coefficients model for a binary outcome. We allow for the possibility that some or even all of the explanatory variables are arbitrarily correlated with the random coefficients, thus permitting endogeneity. We assume the existence of observed instrumental variables Z that are jointly independent with the random coefficients, although we place no structure on the joint determination of the endogenous variable X and instruments Z, as would be required for a control function approach. The model fits within the spectrum of generalized instrumental variable models, and we thus apply identification results from our previous studies of such models to the present context, demonstrating their use. Specifically, we characterize the identified set for the distribution of random coefficients in the binary response model with endogeneity via a collection of conditional moment inequalities, and we investigate the structure of these sets by way of numerical illustration. PMID:25798048

Many local pattern texture features: which is better for image-based multilabel human protein subcellular localization classification?

PubMed

Yang, Fan; Xu, Ying-Ying; Shen, Hong-Bin

2014-01-01

Human protein subcellular location prediction can provide critical knowledge for understanding a protein's function. Since significant progress has been made on digital microscopy, automated image-based protein subcellular location classification is urgently needed. In this paper, we aim to investigate more representative image features that can be effectively used for dealing with the multilabel subcellular image samples. We prepared a large multilabel immunohistochemistry (IHC) image benchmark from the Human Protein Atlas database and tested the performance of different local texture features, including completed local binary pattern, local tetra pattern, and the standard local binary pattern feature. According to our experimental results from binary relevance multilabel machine learning models, the completed local binary pattern, and local tetra pattern are more discriminative for describing IHC images when compared to the traditional local binary pattern descriptor. The combination of these two novel local pattern features and the conventional global texture features is also studied. The enhanced performance of final binary relevance classification model trained on the combined feature space demonstrates that different features are complementary to each other and thus capable of improving the accuracy of classification.

A Bayesian Approach for Nonlinear Structural Equation Models with Dichotomous Variables Using Logit and Probit Links

ERIC Educational Resources Information Center

Lee, Sik-Yum; Song, Xin-Yuan; Cai, Jing-Heng

2010-01-01

Analysis of ordered binary and unordered binary data has received considerable attention in social and psychological research. This article introduces a Bayesian approach, which has several nice features in practical applications, for analyzing nonlinear structural equation models with dichotomous data. We demonstrate how to use the software…