Probing Interfacial Processes on Graphene Surface by Mass Detection

Science.gov (United States)

Kakenov, Nurbek; Kocabas, Coskun

2013-03-01

In this work we studied the mass density of graphene, probed interfacial processes on graphene surface and examined the formation of graphene oxide by mass detection. The graphene layers were synthesized by chemical vapor deposition method on copper foils and transfer-printed on a quartz crystal microbalance (QCM). The mass density of single layer graphene was measured by investigating the mechanical resonance of the QCM. Moreover, we extended the developed technique to probe the binding dynamics of proteins on the surface of graphene, were able to obtain nonspecific binding constant of BSA protein of graphene surface in aqueous solution. The time trace of resonance signal showed that the BSA molecules rapidly saturated by filling the available binding sites on graphene surface. Furthermore, we monitored oxidation of graphene surface under oxygen plasma by tracing the changes of interfacial mass of the graphene controlled by the shifts in Raman spectra. Three regimes were observed the formation of graphene oxide which increases the interfacial mass, the release of carbon dioxide and the removal of small graphene/graphene oxide flakes. Scientific and Technological Research Council of Turkey (TUBITAK) grant no. 110T304, 109T209, Marie Curie International Reintegration Grant (IRG) grant no 256458, Turkish Academy of Science (TUBA-Gebip).

Molecular dynamics study of interfacial thermal transport between silicene and substrates.

Science.gov (United States)

Zhang, Jingchao; Hong, Yang; Tong, Zhen; Xiao, Zhihuai; Bao, Hua; Yue, Yanan

2015-10-07

In this work, the interfacial thermal transport across silicene and various substrates, i.e., crystalline silicon (c-Si), amorphous silicon (a-Si), crystalline silica (c-SiO2) and amorphous silica (a-SiO2) are explored by classical molecular dynamics (MD) simulations. A transient pulsed heating technique is applied in this work to characterize the interfacial thermal resistance in all hybrid systems. It is reported that the interfacial thermal resistances between silicene and all substrates decrease nearly 40% with temperature from 100 K to 400 K, which is due to the enhanced phonon couplings from the anharmonicity effect. Analysis of phonon power spectra of all systems is performed to interpret simulation results. Contradictory to the traditional thought that amorphous structures tend to have poor thermal transport capabilities due to the disordered atomic configurations, it is calculated that amorphous silicon and silica substrates facilitate the interfacial thermal transport compared with their crystalline structures. Besides, the coupling effect from substrates can improve the interface thermal transport up to 43.5% for coupling strengths χ from 1.0 to 2.0. Our results provide fundamental knowledge and rational guidelines for the design and development of the next-generation silicene-based nanoelectronics and thermal interface materials.

Interfacial stability with mass and heat transfer

International Nuclear Information System (INIS)

Hsieh, D.Y.

1977-07-01

A simplified formulation is presented to deal with interfacial stability problems with mass and heat transfer. For Rayleigh-Taylor stability problems of a liquid-vapor system, it was found that the effect of mass and heat transfer tends to enhance the stability of the system when the vapor is hotter than the liquid, although the classical stability criterion is still valid. For Kelvin-Holmholtz stability problems, however, the classical stability criterion was found to be modified substantially due to the effect of mass and heat transfer

One-group interfacial area transport in vertical air-water bubbly flow

International Nuclear Information System (INIS)

Wu, Q.; Kim, S.; Ishii, M.; Beus, S.G.

1997-01-01

In the two-fluid model for two-phase flows, interfacial area concentration is one of the most important closure relations that should be obtained from careful mechanistic modeling. The objective of this study is to develop a one-group interfacial area transport equation together with the modeling of the source and sink terms due to bubble breakage and coalescence. For bubble coalescence, two mechanisms are considered to be dominant in vertical two-phase bubbly flow. These are the random collisions between bubbles due to turbulence in the flow field, and the wake entrainment process due to the relative motion of the bubbles in the wake region of a seeding bubble. For bubble breakup, the impact of turbulent eddies is considered. These phenomena are modeled individually, resulting in a one-group interfacial area concentration transport equation with certain parameters to be determined from experimental data. Compared to the measured axial distribution of the interfacial area concentration under various flow conditions, these parameters are obtained for the reduced one-group, one-dimensional transport equation. The results indicate that the proposed models for bubble breakup and coalescence are appropriate

Electromigration-induced drift in damascene and plasma-etched Al(Cu). II. Mass transport mechanisms in bamboo interconnects

Science.gov (United States)

Proost, Joris; Maex, Karen; Delacy, Luc

2000-01-01

We have discussed electromigration (EM)-induced drift in polycrystalline damascene versus reactive ion etched (RIE) Al(Cu) in part I. For polycrystalline Al(Cu), mass transport is well documented to occur through sequential stages : an incubation period (attributed to Cu depletion beyond a critical length) followed by the Al drift stage. In this work, the drift behavior of bamboo RIE and damascene Al(Cu) is analyzed. Using Blech-type test structures, mass transport in RIE lines was shown to proceed both by lattice and interfacial diffusion. The dominating mechanism depends on the Cu distribution in the line, as was evidenced by comparing as-patterned (lattice EM) and RTP-annealed (interface EM) samples. The interfacial EM only occurs at metallic interfaces. In that case, Cu alloying was observed to retard Al interfacial mass transport, giving rise to an incubation time. Although the activation energy for the incubation time was found similar to the one controlling Al lattice drift, for which no incubation time was observed, lattice EM is preferred over interfacial EM because it is insensitive to enhancing geometrical effects upon scaling. When comparing interfacial electromigration in RIE with bamboo damascene Al(Cu), with the incubation time rate controlling for both, the higher EM threshold observed for damascene was shown to be insufficient to compensate for its significantly increased Cu depletion rate, contrary to the case of polycrystalline Al(Cu) interconnects. Two factors were demonstrated to contribute. First, there are more metallic interfaces, intrinsically related to the use of wetting or barrier layers in recessed features. Second, specific to this study, the additional formation of TiAl3 at the trench sidewalls further enhanced the Cu depletion rate, and reduced the rate-controlling incubation time. A separate drift study on RIE via-type test structures indicated that it is very difficult to suppress interfacial mass transport in favor of lattice EM

Interfacial transport characteristics in a gas-liquid or an immiscible liquid-liquid stratified flow

International Nuclear Information System (INIS)

Inoue, A.; Aoki, S.; Aritomi, M.; Kozawa, Y.

1982-01-01

This paper is a review for an interfacial transport characteristics of mass, momentum and energy in a gas-liquid or a immiscible liquid-liquid stratified flow with wavy interface which have been studied in our division. In the experiment, a characteristic of wave motion and its effect to the turbulence near the interface as well as overall flow characteristics like pressure drop, position of the interface were investigated in an air-water, an air-mercury and a water-liquid metal stratified flow. On the other hand, several models based on the mixing length model and a two-equation model of turbulence, with special interfacial boundary conditions in which the wavy surface was regarded as a rough surface correspond to the wavy height, a source of turbulent energy equal to the wave energy and a damped-turbulence due to the surface tension, were proposed to predict the flow characteristics and the interfacial heat transfer in a fully developed and an undeveloped stratified flow and examined by the experimental data. (author)

Modified two-fluid model for the two-group interfacial area transport equation

International Nuclear Information System (INIS)

Sun Xiaodong; Ishii, Mamoru; Kelly, Joseph M.

2003-01-01

This paper presents a modified two-fluid model that is ready to be applied in the approach of the two-group interfacial area transport equation. The two-group interfacial area transport equation was developed to provide a mechanistic constitutive relation for the interfacial area concentration in the two-fluid model. In the two-group transport equation, bubbles are categorized into two groups: spherical/distorted bubbles as Group 1 while cap/slug/churn-turbulent bubbles as Group 2. Therefore, this transport equation can be employed in the flow regimes spanning from bubbly, cap bubbly, slug to churn-turbulent flows. However, the introduction of the two groups of bubbles requires two gas velocity fields. Yet it is not practical to solve two momentum equations for the gas phase alone. In the current modified two-fluid model, a simplified approach is proposed. The momentum equation for the averaged velocity of both Group-1 and Group-2 bubbles is retained. By doing so, the velocity difference between Group-1 and Group-2 bubbles needs to be determined. This may be made either based on simplified momentum equations for both Group-1 and Group-2 bubbles or by a modified drift-flux model

Interfacial transport phenomena and stability in liquid-metal/water systems: scaling considerations

International Nuclear Information System (INIS)

Abdulla, S.; Liu, X.; Anderson, M.; Bonazza, R.; Corradini, M.; Cho, D.

2001-01-01

One concept being considered for steam generation in innovative nuclear reactor applications, involves water coming into direct contact with a circulating molten metal. The vigorous agitation of the two fluids, the direct liquid-liquid contact and the consequent large interfacial area give rise to very high heat transfer coefficients and rapid steam generation. For an optimum design of such direct contact heat exchange and vaporization systems, detailed knowledge is necessary of the various flow regimes, interfacial transport phenomena, heat transfer and operational stability. In this paper we describe current results from the first year of this research that studies the transport phenomena involved with the injection of water into molten metals (e.g., lead alloys). In particular, this work discusses scaling considerations related to direct contact heat exchange, our experimental plans for investigation and a test plan for the important experimental parameters; i.e., the water and liquid metal mass flow rates, the liquid metal pool temperature and the ambient pressure of the direct contact heat exchanger. Past experimental work and initial scaling results suggest that our experiments can directly represent the proper liquid metal pool temperature and the water subcooling. The experimental variation in water and liquid metal flow rates and system pressure (1-10 bar), although smaller than the current conceptual system designs, is sufficient to verify the expected scale effects to demonstrate the phenomena. (authors)

Characteristics of Gas-liquid Mass Transfer and Interfacial Area in a Bubble Column

International Nuclear Information System (INIS)

Lim, Dae Ho; Yoo, Dong Jun; Kang, Yong

2015-01-01

Characteristics of gas-liquid mass transfer and interfacial area were investigated in a bubble column of diameter and height of 0.102 m and 2.5 m, respectively. Effects of gas and liquid velocities on the volumetric gas-liquid mass transfer coefficient (k L a), interfacial area (a) and liquid side true mass transfer coefficient (k L ) were examined. The interfacial area and volumetric gas-liquid mass transfer coefficient were determined directly by adopting the simultaneous physical desorption of O 2 and chemical absorption of CO 2 in the column. The values of k L a and a increased with increasing gas velocity but decreased with increasing liquid velocity in the bubble column which was operated in the churn turbulent flow regime. The value of k L increased with increasing gas velocity but did not change considerably with increasing liquid velocity. The liquid side mass transfer was found to be related closely to the liquid circulation as well as the effective contacting frequency between the bubbles and liquid phases

Characteristics of Gas-liquid Mass Transfer and Interfacial Area in a Bubble Column

Energy Technology Data Exchange (ETDEWEB)

Lim, Dae Ho; Yoo, Dong Jun; Kang, Yong [Chungnam National University, Daejeon (Korea, Republic of)

2015-02-15

Characteristics of gas-liquid mass transfer and interfacial area were investigated in a bubble column of diameter and height of 0.102 m and 2.5 m, respectively. Effects of gas and liquid velocities on the volumetric gas-liquid mass transfer coefficient (k{sub L}a), interfacial area (a) and liquid side true mass transfer coefficient (k{sub L}) were examined. The interfacial area and volumetric gas-liquid mass transfer coefficient were determined directly by adopting the simultaneous physical desorption of O{sub 2} and chemical absorption of CO{sub 2} in the column. The values of k{sub L}a and a increased with increasing gas velocity but decreased with increasing liquid velocity in the bubble column which was operated in the churn turbulent flow regime. The value of k{sub L} increased with increasing gas velocity but did not change considerably with increasing liquid velocity. The liquid side mass transfer was found to be related closely to the liquid circulation as well as the effective contacting frequency between the bubbles and liquid phases.

Development of two-group interfacial area transport equation for confined flow-2. Model evaluation

International Nuclear Information System (INIS)

Sun, Xiaodong; Kim, Seungjin; Ishii, Mamoru; Beus, Stephen G.

2003-01-01

The bubble interaction mechanisms have been analytically modeled in the first paper of this series to provide mechanistic constitutive relations for the two-group interfacial area transport equation (IATE), which was proposed to dynamically solve the interfacial area concentration in the two-fluid model. This paper presents the evaluation approach and results of the two-group IATE based on available experimental data obtained in confined flow, namely, 11 data sets in or near bubbly flow and 13 sets in cap-turbulent and churn-turbulent flow. The two-group IATE is evaluated in steady state, one-dimensional form. Also, since the experiments were performed under adiabatic, air-water two-phase flow conditions, the phase change effect is omitted in the evaluation. To account for the inter-group bubble transport, the void fraction transport equation for Group-2 bubbles is also used to predict the void fraction for Group-2 bubbles. Agreement between the data and the model predictions is reasonably good and the average relative difference for the total interfacial area concentration between the 24 data sets and predictions is within 7%. The model evaluation demonstrates the capability of the two-group IATE focused on the current confined flow to predict the interfacial area concentration over a wide range of flow regimes. (author)

Interfacial Phonon Transport Through Si/Ge Multilayer Film Using Monte Carlo Scheme With Spectral Transmissivity

Directory of Open Access Journals (Sweden)

Xin Ran

2018-05-01

Full Text Available The knowledge of interfacial phonon transport accounting for detailed phonon spectral properties is desired because of its importance for design of nanoscale energy systems. In this work, we investigate the interfacial phonon transport through Si/Ge multilayer films using an efficient Monte Carlo scheme with spectral transmissivity, which is validated for cross-plane phonon transport through both Si/Ge single-layer and Si/Ge bi-layer thin films by comparing with the discrete-ordinates solution. Different thermal boundary conductances between even the same material pair are declared at different interfaces within the multilayer system. Furthermore, the thermal boundary conductances at different interfaces show different trends with varying total system size, with the variation slope, very different as well. The results are much different from those in the bi-layer thin film or periodic superlattice. These unusual behaviors can be attributed to the combined interfacial local non-equilibrium effect and constraint effect from other interfaces.

Modeling strategy of the source and sink terms in the two-group interfacial area transport equation

International Nuclear Information System (INIS)

Ishii, Mamoru; Sun Xiaodong; Kim, Seungjin

2003-01-01

This paper presents the general strategy for modeling the source and sink terms in the two-group interfacial area transport equation. The two-group transport equation is applicable in bubbly, cap bubbly, slug, and churn-turbulent flow regimes to predict the change of the interfacial area concentration. This dynamic approach has an advantage of flow regime-independence over the conventional empirical correlation approach for the interfacial area concentration in the applications with the two-fluid model. In the two-group interfacial area transport equation, bubbles are categorized into two groups: spherical/distorted bubbles as Group 1 and cap/slug/churn-turbulent bubbles as Group 2. Thus, two sets of equations are used to describe the generation and destruction rates of bubble number density, void fraction, and interfacial area concentration for the two groups of bubbles due to bubble expansion and compression, coalescence and disintegration, and phase change. Based upon a detailed literature review of the research on the bubble interactions, five major bubble interaction mechanisms are identified for the gas-liquid two-phase flow of interest. A systematic integral approach, in which the significant variations of bubble volume and shape are accounted for, is suggested for the modeling of two-group bubble interactions. To obtain analytical forms for the various bubble interactions, a simplification is made for the bubble number density distribution function

Investigation of one-dimensional interfacial area transport for vertical upward air–water two-phase flow in an annular channel at elevated pressures

International Nuclear Information System (INIS)

Ozar, B.; Brooks, C.S.; Euh, D.J.; Hibiki, T.; Ishii, M.

2013-01-01

Highlights: • Interfacial area transport equation (IATE) for a rectangular duct is modified for an annulus. • IATE predicts interfacial area transport in bubbly-to-churn flow. • Scalability of IATE to elevated pressure conditions is validated. • Detailed 1D interfacial area transport data are presented. • Detailed interfacial area transport mechanisms are discussed. -- Abstract: The interfacial area transport of vertical, upward, air–water two-phase flows in an annular channel has been investigated at different system pressures. The inner and outer diameters of the annular channel were 19.1 mm and 38.1 mm, respectively. Twenty three inlet flow conditions were selected, which covered bubbly, cap-bubbly, and churn-turbulent flows. These flow conditions also overlapped with twelve conditions of a previous study for comparison. The local flow parameters, such as void fractions, interfacial area concentrations (IAC), and bubble interface velocities, were measured at nine radial positions for the three axial locations and converted into area-averaged parameters. The axial evolutions of local flow structure were interpreted in terms of bubble coalescence, breakup, expansion of the gas-phase due to pressure drop and system pressure. An assessment of interfacial area transport equation (IATE) was made and compared with the experimental data. A discussion of the comparison between model prediction and the experimental results were made

Investigation of one-dimensional interfacial area transport for vertical upward air–water two-phase flow in an annular channel at elevated pressures

Energy Technology Data Exchange (ETDEWEB)

Ozar, B., E-mail: ozar@fauske.com [School of Nuclear Engineering, Purdue University, 400 Central Drive, West Lafayette, IN 47907-2017 (United States); Brooks, C.S. [School of Nuclear Engineering, Purdue University, 400 Central Drive, West Lafayette, IN 47907-2017 (United States); Euh, D.J. [Korea Atomic Energy Research Institute, 150 Deokjin, Yuseong, Daejeon 305-353 (Korea, Republic of); Hibiki, T.; Ishii, M. [School of Nuclear Engineering, Purdue University, 400 Central Drive, West Lafayette, IN 47907-2017 (United States)

2013-10-15

Highlights: • Interfacial area transport equation (IATE) for a rectangular duct is modified for an annulus. • IATE predicts interfacial area transport in bubbly-to-churn flow. • Scalability of IATE to elevated pressure conditions is validated. • Detailed 1D interfacial area transport data are presented. • Detailed interfacial area transport mechanisms are discussed. -- Abstract: The interfacial area transport of vertical, upward, air–water two-phase flows in an annular channel has been investigated at different system pressures. The inner and outer diameters of the annular channel were 19.1 mm and 38.1 mm, respectively. Twenty three inlet flow conditions were selected, which covered bubbly, cap-bubbly, and churn-turbulent flows. These flow conditions also overlapped with twelve conditions of a previous study for comparison. The local flow parameters, such as void fractions, interfacial area concentrations (IAC), and bubble interface velocities, were measured at nine radial positions for the three axial locations and converted into area-averaged parameters. The axial evolutions of local flow structure were interpreted in terms of bubble coalescence, breakup, expansion of the gas-phase due to pressure drop and system pressure. An assessment of interfacial area transport equation (IATE) was made and compared with the experimental data. A discussion of the comparison between model prediction and the experimental results were made.

A modified two-fluid model for the application of two-group interfacial area transport equation

International Nuclear Information System (INIS)

Sun, X.; Ishii, M.; Kelly, J.

2003-01-01

This paper presents the modified two-fluid model that is ready to be applied in the approach of the two-group interfacial area transport equation. The two-group interfacial area transport equation was developed to provide a mechanistic constitutive relation for the interfacial area concentration in the two-fluid model. In the two-group transport equation, bubbles are categorized into two groups: spherical/distorted bubbles as Group 1 while cap/slug/churn-turbulent bubbles as Group 2. Therefore, this transport equation can be employed in the flow regimes spanning from bubbly, cap bubbly, slug to churn-turbulent flows. However, the introduction of the two groups of bubbles requires two gas velocity fields. Yet it is not desirable to solve two momentum equations for the gas phase alone. In the current modified two-fluid model, a simplified approach is proposed. The momentum equation for the averaged velocity of both Group-1 and Group-2 bubbles is retained. By doing so, the velocity difference between Group-1 and Group-2 bubbles needs to be determined. This may be made either based on simplified momentum equations for both Group-1 and Group-2 bubbles or by a modified drift-flux model

The effect of interfacial layers on charge transport in organic solar cell

Energy Technology Data Exchange (ETDEWEB)

Mbuyise, Xolani G.; Tonui, Patrick; Mola, Genene Tessema, E-mail: mola@ukzn.ac.za

2016-09-01

The effect of interfacial buffer layers in organic photovoltaic cell (OPV) whose active layer is composed of poly(3 hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) blend was studied. The electrical properties of OPV devices produced with and without interfacial layers are compared and discussed in terms of measured parameters of the cells. The charge transport properties showed significant difference on the mobility and activation factor between the two types of device structures. The life time measurements in the unprotected conditions are also presented and discussed.

Implementation of a new interfacial mass and energy transfer model in RETRAN-3D

International Nuclear Information System (INIS)

Macian, R.; Cebulh, P.; Coddington, P.; Paulsen, M.

1999-01-01

The RETRAN-3D MOD002.0 best estimate code includes a five-equation flow field model developed to deal with situations in which thermodynamic non-equilibrium phenomena are important. Several applications of this model to depressurization and pressurization transients showed serious convergence problems. An analysis of the causes for the numerical instabilities identified the models for interfacial heat and mass transfer as the source of the problems. A new interfacial mass and energy transfer model has thus been developed and implemented in RETRAN-3D. The heat transfer for each phase is equal to the product of the interfacial area density, a heat transfer coefficient and the temperature difference between the interface at saturation and the bulk temperature of the respective phase. However, in the context of RETRAN-3D, the vapor remains saturated in a two-phase volume, and no vapor heat transfer is thus calculated. The values of interfacial area density and heat transfer coefficient are obtained based on correlations appropriate for different flow regimes. A flow regime map, based on the work of Taitel and Dukler, with void fraction and mixture mass flux as map coordinates, is used to identify the flow regime present in a given volume. The new model has performed well when assessed against data from four experimental facilities covering depressurization, condensation and steady state void distribution. The results also demonstrate the viability of the approach followed to develop the new model for a five-equation based code. (author)

Experimental and analytical study of interfacial area transport phenomena in a vertical two-phase flow

International Nuclear Information System (INIS)

Huh, Byung-Gil; Euh, Dong-Jin; Yun, Byong-Jo; Youn, Young-Jung; Yoon, Han-Yeong; Song, Chul-Hwa

2005-03-01

The number density transport equations for various bubble groups are used to predict the void fraction and the interfacial area concentration. As the closure relations for number density transport equation, the coalescence due to random collisions and the breakup due to the impact of turbulent eddies is modified based on the previous studies and the bubble expansion term due to the pressure reduction is considered. Also, the coalescence due to a wake entrainment is modeled newly to apply to the number density transport equation. In order to predict the local experimental data, the code is developed that the two-fluid model is coupled systematically with the number density transport equation for each bubble group. As for the results of the numerical analysis, the void fraction and interfacial area concentration are predicted well by the developed code and models although some deviations exist in the values between the prediction and experiment, especially, for the high void fraction conditions

Experimental and analytical study of interfacial area transport phenomena in a vertical two-phase flow

Energy Technology Data Exchange (ETDEWEB)

Huh, Byung-Gil; Euh, Dong-Jin; Yun, Byong-Jo; Youn, Young-Jung; Yoon, Han-Yeong; Song, Chul-Hwa

2005-03-01

The number density transport equations for various bubble groups are used to predict the void fraction and the interfacial area concentration. As the closure relations for number density transport equation, the coalescence due to random collisions and the breakup due to the impact of turbulent eddies is modified based on the previous studies and the bubble expansion term due to the pressure reduction is considered. Also, the coalescence due to a wake entrainment is modeled newly to apply to the number density transport equation. In order to predict the local experimental data, the code is developed that the two-fluid model is coupled systematically with the number density transport equation for each bubble group. As for the results of the numerical analysis, the void fraction and interfacial area concentration are predicted well by the developed code and models although some deviations exist in the values between the prediction and experiment, especially, for the high void fraction conditions.

Reduction of benzene and naphthalene mass transfer from crude oils by aging-induced interfacial films.

Science.gov (United States)

Ghoshal, Subhasis; Pasion, Catherine; Alshafie, Mohammed

2004-04-01

Semi-rigid films or skins form at the interface of crude oil and water as a result of the accumulation of asphaltene and resin fractions when the water-immiscible crude oil is contacted with water for a period of time or "aged". The time varying patterns of area-independent mass transfer coefficients of two compounds, benzene and naphthalene, for dissolution from crude oil and gasoline were determined. Aqueous concentrations of the compounds were measured in the eluent from flow-through reactors, where a nondispersed oil phase and constant oil-water interfacial area were maintained. For Brent Blend crude oil and for gasoline amended with asphaltenes and resins, a rapid decrease in both benzene and naphthalene mass transfer coefficients over the first few days of aging was observed. The mass transfer coefficients of the two target solutes were reduced by up to 80% over 35 d although the equilibrium partition coefficients were unchanged. Aging of gasoline, which has negligible amounts of asphaltene and resin, did not result in a change in the solute mass transfer coefficients. The study demonstrates that formation of crude oil-water interfacial films comprised of asphaltenes and resins contribute to time-dependent decreases in rates of release of environmentally relevant solutes from crude oils and may contribute to the persistence of such solutes at crude oil-contaminated sites. It is estimated that the interfacial film has an extremely low film mass transfer coefficient in the range of 10(-6) cm/min.

Mass-transport limitation to in-cloud reaction rates: Implications of new accommodation coefficient measurements

International Nuclear Information System (INIS)

Schwartz, S.E.

1988-10-01

Although it has been recognized for some time that the rate of reactive uptake of gases in cloudwater can depend on the value of the mass-accommodation coefficient (α) describing interfacial mass transport (MT), definitive evaluation of such rates is only now becoming possible with the availability of measurements of α for gases of atmospheric interest at air-water interfaces. Examination of MT limitation to the rate of in-cloud aqueous-phase oxidation of SO 2 by O 3 and H 2 O 2 shows that despite the low value of α/sub O3/ (5 /times/ 10/sup /minus/4/), interfacial MT of this species is not limiting under essentially all conditions of interest; the high values of α for SO 2 (≥ 0.2) and H 2 O 2 (≥ 0.08) indicate no interfacial MT limitation for these species also. Although gas- and aqueous-phase MT can be limiting under certain extremes of conditions, treating the system as under chemical kinetic control is generally an excellent approximation. Interfacial MT limitation also is found not to hinder the rate of H 2 O 2 formation by aqueous-phase disproportionation of HO 2 . Finally, the rapid uptake of N 2 O 5 by cloud droplets implies that the yield of aqueous HNO 3 from in-cloud gas-phase oxidation of NO 2 by O 3 can be substantial even under daytime conditions. This report consists of copies of viewgraphs prepared for this presentation

Measurement of local interfacial area concentration in boiling loop

International Nuclear Information System (INIS)

Kyoung, Ho Kang; Byong, Jo Yun; Goon, Cherl Park

1995-01-01

An accurate prediction of two-phase flow is essential to many energy systems, including nuclear reactors. To model the two-phase flow, detailed information on the internal flow structure is required. The void fraction and interfacial area concentration are important fundamental parameters characterizing the internal structure of two-phase flow. The interfacial area concentration is defined as the available interfacial area per unit volume of the two-phase mixture in calculations of the interfacial transport of mass, momentum, and energy. Although a number of studies have been made in this area, the interfacial area concentration in two-phase flow has not been sufficiently investigated either experimentally or analytically. Most existing models for interfacial area concentration are limited to area-averaged interfacial area concentration in a flow channel. And the studies on local interfacial area concentration are limited to the case of air-water two-phase flow. However, the internal flow structure of steam-water two-phase flow having various bubble sizes could be quite different from that of air-water two-phase flow, the reliability of which weak in practical applications. In this study, the local interfacial area concentration steam-water two-phase flow has been investigated experimentally in a circular boiling tube having a heating rod in the center, and for the low flow with liquid superficial velocity <1 m/s

Impact of Interfacial Water Transport in PEMFCs on Cell Performance

International Nuclear Information System (INIS)

Kotaka, Toshikazu; Tabuchi, Yuichiro; Pasaogullari, Ugur; Wang, Chao-Yang

2014-01-01

Coupled cell performance evaluation, liquid water visualization by neutron radiography (NRG) and numerical modeling based on multiphase mixture (M2) model were performed with three types of GDMs: Micro Porous Layer (MPL) free; Carbon Paper (CP) with MPL; and CP free to investigate interfacial liquid water transport phenomena in PEMFCs and its effect on cell performance. The visualized results of MPL free GDM with different wettability of bi-polar plates (BPPs) showed hydrophilic BPP improved liquid water transport at the interface between CP and channel. Numerical modeling results indicated that this difference with BPP wettability was caused by the liquid water coverage difference on CP surface. Thus, controlling liquid water coverage is the one of the key strategies for improving cell performance. Additionally, liquid water distributions across the cell for three types of GDMs were compared and significant difference in liquid water content at the interface between Catalyst Layer (CL) and GDM was observed. Numerical modeling suggests this difference is influenced by the gap at the interface and that the MPL could minimize this effect. The CP free cell (i.e. only MPL) showed the best performance and the lowest liquid water content. There were multiple impacts of interfacial liquid water transport both at CL-GDM and GDM-channel interfaces. High hydrophobicity and fine structure of MPLs contributed to enhanced liquid water transport at GDM-channel interface and as a result reduced the liquid water coverage. At the same time, MPL improves contact at the CL-GDM interface in the same manner as seen in CP with MPL case. Thus, the CP free concept showed the best performance. It is suggested that the design of the interface between each component of the PEMFC has a great impact on cell performance and plays a significant role in achievement of high current density operation and cost reduction in FCEVs

Prediction of interfacial area transport in a scaled 8×8 BWR rod bundle

Energy Technology Data Exchange (ETDEWEB)

Yang, X.; Schlegel, J.P.; Liu, Y.; Paranjape, S.; Hibiki, T.; Ishii, M. [School of Nuclear Engineering, Purdue University, 400 Central Dr., West Lafayette, IN 47907-2017 (United States); Bajorek, S.; Ireland, A. [U.S. Nuclear Regulatory Commission, Washington, DC 20555-0001 (United States)

2016-12-15

In the two-fluid model, it is important to give an accurate prediction for the interfacial area concentration. In order to achieve this goal, the interfacial area transport equation has been developed. This study focuses on the benchmark of IATE performance in a rod bundle geometry. A set of interfacial area concentration source and sink term models are proposed for a rod bundle geometry based on the confined channel IATE model. This model was selected as a basis because of the relative similarity of the two geometries. Benchmarking of the new model with interfacial area concentration data in an 8×8 rod bundle test section which has been scaled from an actual BWR fuel bundle is performed. The model shows good agreement in bubbly and cap-bubbly flows, which are similar in many types of geometries, while it shows some discrepancy in churn-turbulent flow regime. This discrepancy may be due to the geometrical differences between the actual rod bundle test facility and the facility used to collect the data which benchmarked the original source and sink models.

Interfacial Properties of Methylcelluloses: The Influence of Molar Mass

Directory of Open Access Journals (Sweden)

Pauline L. Nasatto

2014-12-01

Full Text Available The interfacial interactions of four methylcelluloses having the same average degree of substitution and distribution of methyl groups, but different molar masses, are studied at ambient temperature and at very low polymer concentrations. Firstly, the surface tension σ at the water/air interface is determined for the progressive addition of methylcellulose up to 100 mg/L; σ starts to decrease over 1 mg/L up to the critical aggregation concentration (CAC at 10 mg/L. The curves describing the influence of polymer concentration on σ are independent of the molar mass at equilibrium. Secondly, the adsorption of methylcellulose on silica particles is estimated from ζ-potential measurements. The data are interpreted in terms of an increase of the adsorbed layer thickness at the interface when the molar mass of methylcellulose increases. It is concluded that methylcellulose is adsorbed, forming trains and loops at the interface based on the equilibrium between surface free energy and solvent quality.

Interfacial area transport in two-phase flows in a scaled 8X8 rod bundle geometry at elevated pressures

International Nuclear Information System (INIS)

Yang, X; Schlegel, J.P.; Paranjape, S.; Liu, Y.; Chen, S.W.; Hibiki, T.; Ishii, M.

2011-01-01

To improve the prediction accuracy and robustness of the next-generation thermal-hydraulics system analysis code, analytical and experimental research has been undertaken to develop the Interfacial Area Transport Equation (IATE) in a scaled 8x8 rod bundle geometry at elevated pressure conditions. The experiments performed include local measurements of void fraction, interfacial area concentration, and gas velocity at several axial locations using the innovative four-sensor conductivity probe. The test conditions cover a wide range of flow regimes from bubbly, cap-bubbly, cap-turbulent to churn-turbulent at 100 kPa and 300 kPa pressure conditions and the obtained data indicates some spacer effects on the flow parameters. The bubble groups are classified into two groups (Group-1: spherical and distorted bubbles, Group-2: cap and churn turbulent bubbles) based on the bubble transport characteristics. The area-averaged interfacial area transport data have been compared to the prediction by the one-dimensional two-group IATE with mechanistically modeled IAC source and sink terms. The one-group IATE is able to predict the bubbly-flow interfacial area within ±15% error under two pressure conditions. The two-group IATE performance is also very promising in the cap-bubbly flow and churn-turbulent flow regimes, with average error of about ±20%. (author)

Interfacial area and interfacial transfer in two-phase systems. DOE final report

Energy Technology Data Exchange (ETDEWEB)

Ishii, Mamoru; Hibiki, T.; Revankar, S.T.; Kim, S.; Le Corre, J.M.

2002-07-01

In the two-fluid model, the field equations are expressed by the six conservation equations consisting of mass, momentum and energy equations for each phase. The existence of the interfacial transfer terms is one of the most important characteristics of the two-fluid model formulation. The interfacial transfer terms are strongly related to the interfacial area concentration and to the local transfer mechanisms such as the degree of turbulence near interfaces. This study focuses on the development of a closure relation for the interfacial area concentration. A brief summary of several problems of the current closure relation for the interfacial area concentration and a new concept to overcome the problem are given.

Interfacial area transport of vertical upward air-water two-phase flow in an annulus at elevated pressures

International Nuclear Information System (INIS)

Ozar, Basar; Hibiki, Takashi; Ishii, Mamoru; Euh, Dong-Jin

2009-01-01

The interfacial area transport of vertical, upward, air-water two-phase flows in an annular channel has been investigated at different system pressures. The inner and outer diameters of the annular channel were 19.1 mm and 38.1 mm, respectively. Twenty three inlet flow conditions were selected, which coverED bubbly, cap-slug, and churn-turbulent flows. These flow conditions also overlapped with twelve conditions of our previous study for comparison. The local flow parameters, such as void fractions, interfacial area concentrations (IAC), and bubble interface velocities, were measured at nine radial positions for the three axial locations (z/D h =52, 149 and 230) and converted into area-averaged parameters. The axial evolutions of local flow structure was interpreted in terms of bubble coalescence, breakup, expansion of the gas-phase due to pressure drop and system pressure. An assessment of interfacial area transport equation (IATE) was made and compared with the experimental data. A discussion of the comparison between model prediction and the experimental results were made. (author)

Interfacial heat transfer - State of the art

International Nuclear Information System (INIS)

Yadigaroglu, G.

1987-01-01

Interfacial heat exchanges control the interfacial mass exchange rate, depend on the interfacial area, and are tied to the prediction of thermal nonequilibrium. The nature of the problem usually requires the formulation of mechanistic laws and precludes the general use of universal correlations. This is partly due to the fact that the length scale controlling the interfacial exchanges varies widely from one situation to another and has a strong influence on the exchange coefficients. Within the framework of the ''two-fluid models'', the exchanges occurring at the interfaces are explicitly taken into consideration by the jump condition linking the volumetric mass exchange (evaporation) rate between the phases, to the interfacial energy transfer rates

Establishing a Quantitative Functional Relationship between Capillary Pressure Saturation and Interfacial Area

International Nuclear Information System (INIS)

Carlo Montemagno

2002-01-01

We propose to continue our collaborative research focused on advanced technologies for subsurface contamination problems. Our approach combines new multi-phase flow theory, novel laboratory experiments, and non-traditional computational simulators to investigate practical approaches to include interfacial areas in descriptions of subsurface contaminant transport and remediation. Because all inter-phase mass transfer occurs at fluid-fluid interfaces, and it is this inter-phase mass transfer that leads to the difficult, long-term ground-water contamination problems, it is critical to include interfacial behavior in the problem description. This is currently lacking in all standard models of complex ground-water contamination problems. In our earlier project, we developed tools appropriate for inclusion of interfacial areas under equilibrium conditions. These include advanced laboratory techniques and targeted computational experiments that validated certain key theoretical conjecture s. However, it has become clear that to include interfacial behavior fully into a description of the multi-phase flow and contamination problems, the fully dynamic case must be considered. Therefore, we need to develop both experimental and computational tools that can capture the dynamic nature of interfacial movements. Development and application of such tools will allow the theory to be evaluated, and will lead to significant improvements in our understanding of complex subsurface contamination problems, thereby allowing us to develop and evaluate improved remediation technologies

Decreased Charge Transport Barrier and Recombination of Organic Solar Cells by Constructing Interfacial Nanojunction with Annealing-Free ZnO and Al Layers.

Science.gov (United States)

Liu, Chunyu; Zhang, Dezhong; Li, Zhiqi; Zhang, Xinyuan; Guo, Wenbin; Zhang, Liu; Ruan, Shengping; Long, Yongbing

2017-07-05

To overcome drawbacks of the electron transport layer, such as complex surface defects and unmatched energy levels, we successfully employed a smart semiconductor-metal interfacial nanojunciton in organic solar cells by evaporating an ultrathin Al interlayer onto annealing-free ZnO electron transport layer, resulting in a high fill factor of 73.68% and power conversion efficiency of 9.81%. The construction of ZnO-Al nanojunction could effectively fill the surface defects of ZnO and reduce its work function because of the electron transfer from Al to ZnO by Fermi level equilibrium. The filling of surface defects decreased the interfacial carrier recombination in midgap trap states. The reduced surface work function of ZnO-Al remodulated the interfacial characteristics between ZnO and [6,6]-phenyl C71-butyric acid methyl ester (PC 71 BM), decreasing or even eliminating the interfacial barrier against the electron transport, which is beneficial to improve the electron extraction capacity. The filled surface defects and reduced interfacial barrier were realistically observed by photoluminescence measurements of ZnO film and the performance of electron injection devices, respectively. This work provides a simple and effective method to simultaneously solve the problems of surface defects and unmatched energy level for the annealing-free ZnO or other metal oxide semiconductors, paving a way for the future popularization in photovoltaic devices.

Computational analysis of interfacial attachment kinetics and transport phenomena during liquid phase epitaxy of mercury cadmium telluride

Energy Technology Data Exchange (ETDEWEB)

Rasin, Igal; Brandon, Simon [Dept. of Chemical Engineering, Technion, Haifa 32000 (Israel); Ben Dov, Anne; Grimberg, Ilana; Klin, Olga; Weiss, Eliezer [SCD-Semi-Conductor Devices, P.O. Box 2250/99, Haifa 31021 (Israel)

2010-07-01

Deposition of mercury cadmium telluride (MCT) thin films, on lattice matched cadmium zinc telluride substrates, is often achieved via Liquid Phase Epitaxy (LPE). The yield and quality of these films, required for the production of infrared detector devices, is to a large extent limited by lack of knowledge regarding details of physical phenomena underlying the deposition process. Improving the understanding of these phenomena and their impact on the quality of the resultant films is therefore an important goal which can be achieved through relevant computational and/or experimental studies. We present a combined computational and experimental effort aimed at elucidating physical phenomena underlying the LPE of MCT via a slider growth process. The focus of the presentation will be results generated by a time-dependent three-dimensional model of mass transport, fluid flow, and interfacial attachment kinetics, which we have developed and applied in the analysis of this LPE process. These results, combined with experimental analyses, lead to an improved understanding of the role of different transport and kinetic phenomena underlying this growth process.

Residual Stress Relaxation Induced by Mass Transport Through Interface of the Pd/SrTiO3

Directory of Open Access Journals (Sweden)

Nazarpour S

2010-01-01

Full Text Available Abstract Metal interconnections having a small cross-section and short length can be subjected to very large mass transport due to the passing of high current densities. As a result, nonlinear diffusion and electromigration effects which may result in device failure and electrical instabilities may be manifested. Various thicknesses of Pd were deposited over SrTiO3 substrate. Residual stress of the deposited film was evaluated by measuring the variation of d-spacing versus sin2ψ through conventional X-ray diffraction method. It has been found that the lattice misfit within film and substrate might be relaxed because of mass transport. Besides, the relation between residual intrinsic stress and oxygen diffusion through deposited film has been expressed. Consequently, appearance of oxide intermediate layer may adjust interfacial characteristics and suppress electrical conductivity by increasing electron scattering through metallic films.

Numerical simulations of air–water cap-bubbly flows using two-group interfacial area transport equation

International Nuclear Information System (INIS)

Wang, Xia; Sun, Xiaodong

2014-01-01

Highlights: • Two-group interfacial area transport equation was implemented into a three-field two-fluid model in Fluent. • Numerical model was developed for cap-bubbly flows in a narrow rectangular flow channel. • Numerical simulations were performed for cap-bubbly flows with uniform void inlets and with central peaked void inlets. • Code simulations showed a significant improve over the conventional two-fluid model. - Abstract: Knowledge of cap-bubbly flows is of great interest due to its role in understanding of the flow regime transition from bubbly to slug or churn-turbulent flows. One of the key characteristics of such flows is the existence of bubbles in different sizes and shapes associated with their distinctive dynamic natures. This important feature is, however, generally not well captured by many available two-phase flow modeling approaches. In this study, a modified two-fluid model, namely a three-field, two-fluid model, is proposed. In this model, bubbles are categorized into two groups, i.e., spherical/distorted bubbles as Group-1 while cap/churn-turbulent bubbles as Group-2. A two-group interfacial area transport equation (IATE) is implemented to describe dynamic changes of interfacial structure in each bubble group, resulting from intra- and inter-group interactions and phase changes due to evaporation and condensation. Attention is also paid to appropriate constitutive relations of the interfacial transfers due to mechanical and thermal non-equilibrium between the different fields. The proposed three-field, two-fluid model is used to predict the phase distributions of adiabatic air–water flows in a confined rectangular duct. Good agreement between the simulation results from the proposed model and relevant experimental data indicates that the proposed model is promising as an improved computational tool for two-phase cap-bubbly flow simulations in rectangular flow ducts

Establishing a Quantitative Functional Relationship between Capillary Pressure Saturation and Interfacial Area; FINAL

International Nuclear Information System (INIS)

Carlo Montemagno

2002-01-01

We propose to continue our collaborative research focused on advanced technologies for subsurface contamination problems. Our approach combines new multi-phase flow theory, novel laboratory experiments, and non-traditional computational simulators to investigate practical approaches to include interfacial areas in descriptions of subsurface contaminant transport and remediation. Because all inter-phase mass transfer occurs at fluid-fluid interfaces, and it is this inter-phase mass transfer that leads to the difficult, long-term ground-water contamination problems, it is critical to include interfacial behavior in the problem description. This is currently lacking in all standard models of complex ground-water contamination problems. In our earlier project, we developed tools appropriate for inclusion of interfacial areas under equilibrium conditions. These include advanced laboratory techniques and targeted computational experiments that validated certain key theoretical conjecture s. However, it has become clear that to include interfacial behavior fully into a description of the multi-phase flow and contamination problems, the fully dynamic case must be considered. Therefore, we need to develop both experimental and computational tools that can capture the dynamic nature of interfacial movements. Development and application of such tools will allow the theory to be evaluated, and will lead to significant improvements in our understanding of complex subsurface contamination problems, thereby allowing us to develop and evaluate improved remediation technologies

Fundamental study on interfacial area transport model (I) (contract research)

International Nuclear Information System (INIS)

Mishima, Kaichiro; Nakamura, Hideo

2001-03-01

Recently, improvement in the best-estimate (BE) code predictive capability is attempted by incorporating the interfacial area transport model (IATM) into a one-dimensional two-fluid model to represent gas-liquid two-phase flows in detail with less uncertainty in the flow predictions. Internationally, the nuclear regulatory commission (NRC) and Purdue University in the U.S.A. and CEA in France have promoted the renewal of their BE codes such as TRAC, RELAP5 and CATHARE, by introducing the IATM in cooperative manner. In Japan, JAERI is underway to develop a one-dimensional code based primarily on the IATM against the licensing procedures of next-generation nuclear reactors. The IATM has a possibility to correctly predict flow transient along flow path for such flows as developing flows, multi-dimensional flows, transitional flows, boiling flows, which are difficult to accurately predict by the two-fluid models employed in the current BE codes. The newly developed code with the IATM would dramatically improve the accuracy in the flow prediction. The model, however, is under development and needs great effort to overcome many difficulties with plenty of theoretical considerations based on much of data bases to be acquired further. This study attempts to measure interfacial area in air-water two-phase flows in a large-diameter tube to understand the characteristic of multi-dimensional flows that usually appear in large-diameter tube flows, and provide data bases, to contribute the development of the IATM. The results obtained by such institutes as Purdue University and CEA France were reviewed first. Clarified are the current status and problems of the IATM, basics and practical methods to measure the interfacial area using multi-sensor miniature local probes; metal needle electro-resistance probe and fiber-optic probe. It was found that the applicability of the IATM is limited mostly to a one-dimensional bubbly flow, and is far from satisfactory for multi

Interfacial structures in downward two-phase bubbly flow

International Nuclear Information System (INIS)

Paranjape, S.S.; Kim, S.; Ishii, M.; Kelly, J.

2003-01-01

Downward two-phase flow was studied considering its significance in view of Light Water Reactor Accidents (LWR) such as Loss of Heat Sink (LOHS) by feed water loss or secondary pipe break. The flow studied, was an adiabatic, air-water, co-current, vertically downward two-phase flow. The experimental test sections had internal hydraulic diameters of 25.4 mm and 50.8 mm. Flow regime map was obtained using the characteristic signals obtained from an impedance void meter, employing neural network based identification methodology to minimize the subjective judgment in determining the flow regimes. A four sensor conductivity probe was used to measure the local two phase flow parameters, which characterize the interfacial structures. The local time averaged two-phase flow parameters measured were: void fraction (α), interfacial area concentration (a i ), bubble velocity (v g ), and Sauter mean diameter (D Sm ). The flow conditions were from the bubbly flow regime. The local profiles of these parameters as well as their axial development revealed the nature of the interfacial structures and the bubble interaction mechanisms occurring in the flow. Furthermore, this study provided a good database for the development of the interfacial area transport equation, which dynamically models the changes in the interfacial area along the flow field. An interfacial area transport equation was developed for downward flow based on that developed for the upward flow, with certain modifications in the bubble interaction terms. The area averaged values of the interfacial area concentration were compared with those predicted by the interfacial area transport model. (author)

Development of two-group interfacial area transport equation for confined flow-1. Modeling of bubble interactions

International Nuclear Information System (INIS)

Sun, Xiaodong; Kim, Seungjin; Ishii, Mamoru; Beus, Stephen G.

2003-01-01

This paper presents the modeling of bubble interaction mechanisms in the two-group interfacial area transport equation (IATE) for confined gas-liquid two-phase flow. The transport equation is applicable to bubbly, cap-turbulent, and churn-turbulent flow regimes. In the two-group IATE, bubbles are categorized into two groups: spherical/distorted bubbles as Group 1 and cap/slug/churn-turbulent bubbles as Group 2. Thus, two sets of equations are used to describe the generation and destruction rates of bubble number density, void fraction, and interfacial area concentration for the two groups of bubbles due to bubble expansion and compression, coalescence and disintegration, and phase change. Five major bubble interaction mechanisms are identified for the gas-liquid two-phase flow of interest, and are analytically modeled as the source/sink terms for the transport equations based on certain assumptions for the confined flow. These models include both intra-group (within a certain group) and inter-group (between two groups) bubble interactions. The comparisons of the prediction by the one-dimensional two-group IATE with experimental data are presented in the second paper of this series. (author)

On the Bias in the Danckwerts’ Plot Method for the Determination of the Gas–Liquid Mass-Transfer Coefficient and Interfacial Area

Directory of Open Access Journals (Sweden)

German E. Cortes Garcia

2018-02-01

Full Text Available The Danckwerts’ plot method is a commonly used graphical technique to independently determine the interfacial area and mass-transfer coefficient in gas–liquid contactors. The method was derived in 1963 when computational capabilities were limited and intensified process equipment did not exist. A numerical analysis of the underlying assumptions of the method in this paper has shown a bias in the technique, especially for situations where mass-transfer rates are intensified, or where there is limited liquid holdup in the bulk compared to the film layers. In fact, systematic errors of up to 50% in the interfacial area, and as high as 90% in the mass-transfer coefficients, can be expected for modern, intensified gas–liquid contactors, even within the commonly accepted validity limits of a pseudo-first-order reaction and Hatta numbers in the range of 0.3 < Ha < 3. Given the current computational capabilities and the intensified mass-transfer rates in modern gas–liquid contactors, it is therefore imperative that the equations for reaction and diffusion in the liquid films are numerically solved and subsequently used to fit the interfacial area and mass-transfer coefficient to experimental data, which would traditionally be used in the graphical Danckwerts’ method.

Modeling and measurement of interfacial area concentration in two-phase flow

International Nuclear Information System (INIS)

Paranjape, Sidharth; Ishii, Mamoru; Hibiki, Takashi

2010-01-01

This paper presents experimental and modeling approaches in characterizing interfacial structures in gas-liquid two-phase flow. For the modeling of the interfacial structure characterization, the interfacial area transport equation proposed earlier has been studied to provide a dynamic and mechanistic prediction tool for two-phase flow analysis. A state-of-the-art four-sensor conductivity probe technique has been developed to obtain detailed local interfacial structure information in a wide range of flow regimes spanning from bubbly to churn-turbulent flows. Newly obtained interfacial area data in 8 x 8 rod-bundle test section are also presented. This paper also reviews available models of the interfacial area sink and source terms and existing databases. The interfacial area transport equation has been benchmarked using condensation bubbly flow data.

Interfacial Healing and Transport Phenomena Modeling ff Biopolymers

Science.gov (United States)

Lebron, Karla

This research focuses on the characterization of bioplastics joined using ultrasonic welding and modeling of temperature distributions and interfacial healing. Polylactic acid (PLA), which is typically derived from starch-rich crops such as corn, was studied. While the measurement of activation energy for interfacial healing at weld interfaces of PLA films has been reported, here, this information is used to predict the weld strength of rigid PLA samples welded by ultrasonics. A characterization of the mechanical properties was completed with a tensile test to determine the effects of amplitude, melt velocity and collapse distance on weld strength. From previous interfacial healing activation energy measurements based on an impulse welding method, it was also possible to predict weld strength. It was found that the most influential parameters were weld time, collapse distance and weld velocity. In general, the model predicted weld strength reasonably well with r2 values between 0.77 and 0.78.

Comparison of crude oil interfacial behavior

Energy Technology Data Exchange (ETDEWEB)

Beetge, J.H.; Panchev, N. [Champion Technologies Inc., Fresno, TX (United States)

2008-07-01

The bulk properties of crude oil are used to predict its behaviour with regards to treatment, transport and processing. Surface active components, such as asphaltenes, are often used to study or explain critical interfacial behaviour of crude oil. This study investigated the differences and similarities in the interfacial behaviour of the collective surface active component in various crude oils from different sources. The properties of interfaces between crude oil and water were compared using a Teclis drop shape tensiometer. A portion of a crude oil sample was diluted in toluene and contacted with water in a rising drop configuration. Dynamic surface tension and interfacial rheology was examined as a function of time from the early stages of interface formation. Sinusoidal oscillation of the drop volume allowed for the evaluation of visco-elastic behaviour of the crude oil/water interface as it developed with time. The Gibbs elastic modulus, as well as its elastic and viscose components were calculated from the drop shape. The interfacial behaviour was expressed in terms of concentration, oscillation frequency and interface age. It was concluded that knowledge of crude oil interfacial character could be of value in the treatment, transport and processing of crude oils because the its behaviour may play a significant role in crude oil production and processing.

Pore scale study of multiphase multicomponent reactive transport during CO2 dissolution trapping

Science.gov (United States)

Chen, Li; Wang, Mengyi; Kang, Qinjun; Tao, Wenquan

2018-06-01

Solubility trapping is crucial for permanent CO2 sequestration in deep saline aquifers. For the first time, a pore-scale numerical method is developed to investigate coupled scCO2-water two-phase flow, multicomponent (CO2(aq), H+, HCO3-, CO32- and OH-) mass transport, heterogeneous interfacial dissolution reaction, and homogeneous dissociation reactions. Pore-scale details of evolutions of multiphase distributions and concentration fields are presented and discussed. Time evolutions of several variables including averaged CO2(aq) concentration, scCO2 saturation, and pH value are analyzed. Specific interfacial length, an important variable which cannot be determined but is required by continuum models, is investigated in detail. Mass transport coefficient or efficient dissolution rate is also evaluated. The pore-scale results show strong non-equilibrium characteristics during solubility trapping due to non-uniform distributions of multiphase as well as slow mass transport process. Complicated coupling mechanisms between multiphase flow, mass transport and chemical reactions are also revealed. Finally, effects of wettability are also studied. The pore-scale studies provide deep understanding of non-linear non-equilibrium multiple physicochemical processes during CO2 solubility trapping processes, and also allow to quantitatively predict some important empirical relationships, such as saturation-interfacial surface area, for continuum models.

Incorporating interfacial phenomena in solidification models

Science.gov (United States)

Beckermann, Christoph; Wang, Chao Yang

1994-01-01

A general methodology is available for the incorporation of microscopic interfacial phenomena in macroscopic solidification models that include diffusion and convection. The method is derived from a formal averaging procedure and a multiphase approach, and relies on the presence of interfacial integrals in the macroscopic transport equations. In a wider engineering context, these techniques are not new, but their application in the analysis and modeling of solidification processes has largely been overlooked. This article describes the techniques and demonstrates their utility in two examples in which microscopic interfacial phenomena are of great importance.

Development and validation of bubble breakup and coalescence constitutive models for the one-group interfacial area transport equation

International Nuclear Information System (INIS)

Pellacani, Filippo

2012-01-01

A local mechanistic model for bubble coalescence and breakup for the one-group interfacial area transport equation has been developed, in agreement and within the limits of the current understanding, based on an exhaustive survey of the theory and of the state of the art models for bubble dynamics simulation. The new model has been tested using the commercial 3D CFD code ANSYS CFX. Upward adiabatic turbulent air-water bubbly flow has been simulated and the results have been compared with the data obtained in the experimental facility PUMA. The range of the experimental data available spans between 0.5 to 2 m/s liquid velocity and 5 to 15 % volume fraction. For the implementation of the models, both the monodispersed and the interfacial area transport equation approaches have been used. The first one to perform a detailed analysis of the forces and models to reproduce the dynamic of the dispersed phase adequately and to be used in the next phases of the work. Also two different bubble induced turbulence models have been tested to consider the effect of the presence of the gas phase on the turbulence of the liquid phase. The interfacial area transport equation has been successfully implemented into the CFD code and the state of the art breakup and coalescence models have been used for simulation. The limitations of the actual theory have been shown and a new bubble interactions model has been developed. The simulations showed that a considerable improvement is achieved if compared to the state of the art closure models. Limits in the implementation derive from the actual understanding and formulation of the bubbly dynamics. A strong dependency on the interfacial non-drag force models and coefficients have been shown. More experimental and theory work needs to be done in this field to increase the prediction capability of the simulation tools regarding the distribution of the phases along the pipe radius.

Interfacial thermal conductance in multilayer graphene/phosphorene heterostructure

International Nuclear Information System (INIS)

Zhang, Ying-Yan; Pei, Qing-Xiang; Mai, Yiu-Wing; Lai, Siu-Kai

2016-01-01

Vertical integration of 2D materials has recently appeared as an effective method for the design of novel nano-scale devices. Using non-equilibrium molecular dynamics simulations, we study the interfacial thermal transport property of graphene/phosphorene heterostructures where phosphorene is sandwiched in between graphene. Various modulation techniques are thoroughly explored. We found that the interfacial thermal conductance at the interface of graphene and phosphorene can be enhanced significantly by using vacancy defects, hydrogenation and cross-plane compressive strain. By contrast, the reduction in the interfacial thermal conductance can be achieved by using cross-plane tensile strain. Our results provide important guidelines for manipulating the thermal transport in graphene/phosphorene based-nano-devices. (paper)

Implementation of a one-group interfacial area transport equation in a CFD code for the simulation of upward adiabatic bubbly flow

International Nuclear Information System (INIS)

Pellacani, F.; Macian, R.; Chiva, S.; Pena, C.

2011-01-01

In this paper upward, isothermal and turbulent bubbly flow in tubes is numerically modeled by using ANSYS CFX 12.1 with the aim of creating a basis for the reliable simulation of the flow along a vertical channel in a nuclear reactor as long term goal. Two approaches based on the mono-dispersed model and on the one-group Interfacial Area Transport Equation (IATE) model are used in order to maintain the computational effort as low as possible. This work represents the necessary step to implement a two-group interfacial area transport equation that will be able to dynamically represent the changes in interfacial structure in the transition region from bubbly to slug flow. The drag coefficient is calculated using the Grace model and the interfacial non-drag forces are also included. The Antal model is used for the calculation of the wall lubrication force coefficient. The lift force coefficient is obtained from the Tomiyama model. The turbulent dispersion force is taken into account and is modeled using the FAD (Favre averaged drag) approach, while the turbulence transfer is simulated with the Sato's model. The liquid velocity is in the range between 0.5 and 2 m/s and the average void fraction varies between 5 and 15%.The source and sink terms for break-up and coalescence needed for the calculation of the implemented Interfacial Area Density are those proposed by Yao and Morel. The model has been checked using experimental results by Mendez. Radial profile distributions of void fraction, interfacial area density and bubble mean diameter are shown at the axial position equivalent to z/D=56. The results obtained by the simulations have a good agreement with the experimental data but show also the need of a better study of the coalescence and breakup phenomena to develop more accurate interaction models. (author)

Interfacial transport processes and rheology

CERN Document Server

Brenner, Howard

1991-01-01

This textbook is designed to provide the theory, methods of measurement, and principal applications of the expanding field of interfacial hydrodynamics. It is intended to serve the research needs of both academic and industrial scientists, including chemical or mechanical engineers, material and surface scientists, physical chemists, chemical and biophysicists, rheologists, physiochemical hydrodynamicists, and applied mathematicians (especially those with interests in viscous fluid mechanics and continuum mechanics).As a textbook it provides materials for a one- or two-semester graduate-level

Minimizing performance degradation induced by interfacial recombination in perovskite solar cells through tailoring of the transport layer electronic properties

Directory of Open Access Journals (Sweden)

Liang Xu

2018-03-01

Full Text Available The performance of hybrid organic-inorganic metal halide perovskite solar cells is investigated using one-dimensional drift-diffusion device simulations. We study the effects of interfacial defect density, doping concentration, and electronic level positions of the charge transport layer (CTL. Choosing CTLs with a favorable band alignment, rather than passivating CTL-perovskite interfacial defects, is shown to be beneficial for maintaining high power-conversion efficiency, due to reduced minority carrier density arising from a favorable local electric field profile. Insights from this study provide theoretical guidance on practical selection of CTL materials for achieving high-performance perovskite solar cells.

State-of-the-art report on the theoretical modeling of interfacial area concentration

International Nuclear Information System (INIS)

Lee, Won Jae; Euh, Dong Jin

1998-03-01

Classical approaches based on experimental correlations and the mechanistic approaches based on the interfacial area concentration were reviewed. The study focuses on the state-of-the-art researches based on the mechanistic modeling of the interfacial area concentration. The investigation is performed by classifying the mechanistic modeling approaches into those using the number density transport equations supported with a simple algebraic relation for obtaining interfacial area concentration and those using the direct interfacial area transport equations. The modeling approaches are subdivided into one group and multi-group models. The state-of-the-art source terms of transport equations are also investigated for their applicability and limitations. (author). 62 refs., 6 tabs., 49 figs

Enhanced interfacial thermal transport in pnictogen tellurides metallized with a lead-free solder alloy

Energy Technology Data Exchange (ETDEWEB)

Devender,; Ramanath, Ganpati, E-mail: Ramanath@rpi.edu [Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States); Lofgreen, Kelly; Devasenathipathy, Shankar; Swan, Johanna; Mahajan, Ravi [Intel Corporation, Assembly Test and Technology Development, Chandler, Arizona 85226 (United States); Borca-Tasciuc, Theodorian [Department of Mechanical Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, New York 12180 (United States)

2015-11-15

Controlling thermal transport across metal–thermoelectric interfaces is essential for realizing high efficiency solid-state refrigeration and waste-heat harvesting power generation devices. Here, the authors report that pnictogen chalcogenides metallized with bilayers of Sn{sub 96.5}Ag{sub 3}Cu{sub 0.5} solder and Ni barrier exhibit tenfold higher interfacial thermal conductance Γ{sub c} than that obtained with In/Ni bilayer metallization. X-ray diffraction and x-ray spectroscopy indicate that reduced interdiffusion and diminution of interfacial SnTe formation due to Ni layer correlates with the higher Γ{sub c}. Finite element modeling of thermoelectric coolers metallized with Sn{sub 96.5}Ag{sub 3}Cu{sub 0.5}/Ni bilayers presages a temperature drop ΔT ∼ 22 K that is 40% higher than that obtained with In/Ni metallization. Our results underscore the importance of controlling chemical intermixing at solder–metal–thermoelectric interfaces to increase the effective figure of merit, and hence, the thermoelectric cooling efficiency. These findings should facilitate the design and development of lead-free metallization for pnictogen chalcogenide-based thermoelectrics.

Effects of interfacial Fe electronic structures on magnetic and electronic transport properties in oxide/NiFe/oxide heterostructures

International Nuclear Information System (INIS)

Liu, Qianqian; Chen, Xi; Zhang, Jing-Yan; Yang, Meiyin; Li, Xu-Jing; Jiang, Shao-Long; Liu, Yi-Wei; Cao, Yi; Wu, Zheng-Long; Feng, Chun; Ding, Lei; Yu, Guang-Hua

2015-01-01

Highlights: • The magnetic and transport properties of oxide/NiFe/oxide films were studied. • The oxide (SiO 2 , MgO and HfO 2 ) has different elemental electronegativity. • Redox reaction at different NiFe/oxide interface is dependent on the oxide layer. • Different interfacial electronic structures shown by XPS influence the properties. - Abstract: We report that the magnetic and electronic transport properties in oxide/NiFe(2 nm)/oxide film (oxide = SiO 2 , MgO or HfO 2 ) are strongly influenced by the electronic structure of NiFe/oxide interface. Magnetic measurements show that there exist magnetic dead layers in the SiO 2 sandwiched film and MgO sandwiched film, whereas there is no magnetic dead layer in the HfO 2 sandwiched film. Furthermore, in the ultrathin SiO 2 sandwiched film no magnetoresistance (MR) is detected, while in the ultrathin MgO sandwiched film and HfO 2 sandwiched film the MR ratios reach 0.35% and 0.88%, respectively. The investigation by X-ray photoelectron spectroscopy reveals that the distinct interfacial redox reactions, which are dependent on the oxide layers, lead to the variation of magnetic and transport properties in different oxide/NiFe/oxide heterostructures

Metal/dielectric thermal interfacial transport considering cross-interface electron-phonon coupling: Theory, two-temperature molecular dynamics, and thermal circuit

Science.gov (United States)

Lu, Zexi; Wang, Yan; Ruan, Xiulin

2016-02-01

The standard two-temperature equations for electron-phonon coupled thermal transport across metal/nonmetal interfaces are modified to include the possible coupling between metal electrons with substrate phonons. The previous two-temperature molecular dynamics (TT-MD) approach is then extended to solve these equations numerically at the atomic scale, and the method is demonstrated using Cu/Si interface as an example. A key parameter in TT-MD is the nonlocal coupling distance of metal electrons and nonmetal phonons, and here we use two different approximations. The first is based on Overhauser's "joint-modes" concept, while we use an interfacial reconstruction region as the length scale of joint region rather than the phonon mean-free path as in Overhauser's original model. In this region, the metal electrons can couple to the joint phonon modes. The second approximation is the "phonon wavelength" concept where electrons couple to phonons nonlocally within the range of one phonon wavelength. Compared with the original TT-MD, including the cross-interface electron-phonon coupling can slightly reduce the total thermal boundary resistance. Whether the electron-phonon coupling within the metal block is nonlocal or not does not make an obvious difference in the heat transfer process. Based on the temperature profiles from TT-MD, we construct a new mixed series-parallel thermal circuit. We show that such a thermal circuit is essential for understanding metal/nonmetal interfacial transport, while calculating a single resistance without solving temperature profiles as done in most previous studies is generally incomplete. As a comparison, the simple series circuit that neglects the cross-interface electron-phonon coupling could overestimate the interfacial resistance, while the simple parallel circuit in the original Overhauser's model underestimates the total interfacial resistance.

Microphysics of mass-transport in coupled droplet-pairs at low Reynolds number and the role of convective dynamics

Science.gov (United States)

Dong, Qingming; Sau, Amalendu

2016-06-01

Interfacial mass-transport and redistribution in the micro-scale liquid droplets are important in diverse fields of research interest. The role of the "inflow" and the "outflow" type convective eddy-pairs in the entrainment of outer solute and internal relocation are examined for different homogeneous and heterogeneous water droplet pairs appearing in a tandem arrangement. Two micro-droplets of pure (rain) water interact with an oncoming outer air stream (Re ≤ 100) contaminated by uniformly distributed SO2. By virtue of separation/attachment induced non-uniform interfacial shear-stress gradient, the well-defined inflow/outflow type pairs of recirculating eddy-based convective motion quickly develops, and the eddies effectively attract/repel the accumulated outer solute and control the physical process of mass-transport in the droplet-pair. The non-uniformly shear-driven flow interaction and bifurcation of the circulatory internal flow lead to growth of important micro-scale "secondary" eddies which suitably regroup with the adjacent "primary" one to create the sustained inflow/outflow type convective dynamics. The presently derived flow characteristics and in-depth analysis help to significantly improve our understanding of the micro-droplet based transport phenomena in a wider context. By tuning "Re" (defined in terms of the droplet diameter and the average oncoming velocity of the outer air) and gap-ratio "α," the internal convective forcing and the solute entrainment efficiency could be considerably enhanced. The quantitative estimates for mass entrainment, convective strength, and saturation characteristics for different coupled micro-droplet pairs are extensively examined here for 0.2 ≤ α ≤ 2.0 and 30 ≤ Re ≤ 100. Interestingly, for the compound droplets, with suitably tuned radius-ratio "B" (of upstream droplet with respect to downstream one) the generated "inflow" type coherent convective dynamics helped to significantly augment the centre

An arbitrary Lagrangian-Eulerian method for interfacial flows with insoluble surfactants

Science.gov (United States)

Yang, Xiaofeng

Interfacial flows, fluid flows involving two or more fluids that do not mix, are common in many natural and industrial processes such as rain drop formation, crude oil recovery, polymer blending, fuel spray formation, and so on. Surfactants (surface active substances) play an important role in such processes because they significantly change the interfacial dynamics. In this thesis, an arbitrary Lagrangian-Eulerian (ALE) method has been developed to numerically simulate interfacial flows with insoluble surfactants. The interface is captured using a coupled level set and volume of fluid method. To evolve the surfactant concentration, the method directly tracks the surfactant mass and the interfacial area. The surfactant concentration, which determines the local surface tension through an equation of state, is then computed as surfactant mass per interfacial area. By directly tracking the surfactant mass, the method conserves the surfactant mass exactly. To accurately approximate the interfacial area, the fluid interface is reconstructed using piecewise parabolas. The evolution of the level set function, volume fraction, interfacial area, and the surfactant mass is performed using an ALE approach. The fluid flow is governed by Stokes equations, which are solved using a finite element method. The surface forces are included in the momentum equation using a continuum surface stress formulation. To efficiently resolve the complex interfacial dynamics, interfacial regions of high surface curvature, and near contact regions between two interacting interfaces, the grid near the interface is adaptively refined. The method is extendible to axisymmetric and 3D spaces, and can be coupled with other flow solvers, such as Navier-Stokes and viscoelastic flow solvers, as well. The method has been applied to study the effect of surfactants on drop deformation and breakup in an extensional flow. Drop deformation results are compared with available experimental and theoretical

The Interfacial Thermal Conductance of Epitaxial Metal-Semiconductor Interfaces

Science.gov (United States)

Ye, Ning

-silicon), interfaces with varying levels of disorder (epitaxial and non-epitaxial). The ITC values of silicides-silicon interfaces observed in this study are higher than those of other metallic interfaces to Si found in literature. Most surprisingly, it is experimentally found that ITC values are independent of interfacial quality and substrate orientation. Computationally, it is found that the non-equilibrium atomistic Green's Function technique (NEGF), which is specically designed to simulate coherent elastic phonon transport across interfaces, significantly underpredicts ITC values for CoSi2-Si interfaces, suggesting that energy transport does not occur purely by coherent transmission of phonons, even for epitaxial interfaces. In contrast, the Diffuse Mismatch Model closely mimics the experimentally observed ITC values for CoSi 2-Si, NiSi-Si and TiSi2-Si interfaces, and only slightly overestimating the same for PtSi-Si interfaces. Furthermore, the results also show that ITC is independent of degenerate doping up to doping levels of ≈1 x 1019 cm-3, indicating there is no significant direct electronic transport or transport effects which depend on long-range metal-semiconductor band alignment. Then, I study the effect of phonon band structure on ITC through measurements of epitaxial NiAl1-xGax-GaAs interfaces for varying levels of alloy composition, which independently tunes the mass of the metal's heavy atom without much affect on the lattice structure or interatomic force constants. The ITC values are found to linearly increase with increasing Ga content, consistent with the disappearance of a phonon band gap in NiAl 1-xGax films with increasing Ga content, which enhances the phonon transmission coefficients due to a better density of states overlap between the two (NiAl1-xGax, GaAs) materials. Finally, I study a unique subset of epitaxial rocksalt interfaces between the Group IV metal nitrides (TiN, ZrN, and HfN) to MgO substrates as well as ScN layers. Prior to the currrent

Interfacial effect on physical properties of composite media: Interfacial volume fraction with non-spherical hard-core-soft-shell-structured particles.

Science.gov (United States)

Xu, Wenxiang; Duan, Qinglin; Ma, Huaifa; Chen, Wen; Chen, Huisu

2015-11-02

Interfaces are known to be crucial in a variety of fields and the interfacial volume fraction dramatically affects physical properties of composite media. However, it is an open problem with great significance how to determine the interfacial property in composite media with inclusions of complex geometry. By the stereological theory and the nearest-surface distribution functions, we first propose a theoretical framework to symmetrically present the interfacial volume fraction. In order to verify the interesting generalization, we simulate three-phase composite media by employing hard-core-soft-shell structures composed of hard mono-/polydisperse non-spherical particles, soft interfaces, and matrix. We numerically derive the interfacial volume fraction by a Monte Carlo integration scheme. With the theoretical and numerical results, we find that the interfacial volume fraction is strongly dependent on the so-called geometric size factor and sphericity characterizing the geometric shape in spite of anisotropic particle types. As a significant interfacial property, the present theoretical contribution can be further drawn into predicting the effective transport properties of composite materials.

Data acquisition of mass transport parameters

International Nuclear Information System (INIS)

Iwasaki, Riyo; Hama, Katsuhiro; Morikawa, Keita; Hosoya, Shinichi

2017-02-01

Tono Geoscience Center of Japan Atomic Energy Agency (JAEA) has been carrying out the Mizunami Underground Research Laboratory (MIU) Project, which is a scientific study understanding the deep geological environment as a basis of research and development for geological disposal of high level radioactive wastes. The aim of the MIU project is to establish comprehensive techniques for the investigation, analysis and assessment of the deep geological environment in fractured crystalline rock, and to develop a range of engineering techniques for deep underground application. This project has three overlapping phases: Surface-based investigation phase (Phase I), Construction phase (Phase II), and Operation phase (Phase III). Currently, the project is being carried out under the Phase III. Mass transport study is mainly performed as part of Phase III project. In Phase III, the goal of mass transport study is to obtain a better understanding of mass transport phenomena in the geological environment as well as to develop technologies for measurement of the mass transport parameters, model construction, numerical analysis and validation of those technologies. This study was planned to understand the influence of the geological characteristics of fracture on the mass transport parameters. This report presents the results of diffusion experiment, observation of polished thin section, sorption experiment and porophysicality measurement. (author)

Interfacial fluid dynamics and transport processes

CERN Document Server

Schwabe, Dietrich

2003-01-01

The present set of lectures and tutorial reviews deals with various topical aspects related to instabilities of interfacial processes and driven flows from both the theoretical and experimental point of views. New research has been spurred by the many demands for applications in material sciences (melting, solidification, electro deposition), biomedical engineering and processing in microgravity environments. This book is intended as both a modern source of reference for researchers in the field as well as an introduction to postgraduate students and non-specialists from related areas.

Interfacial Passivation of the p-Doped Hole-Transporting Layer Using General Insulating Polymers for High-Performance Inverted Perovskite Solar Cells.

Science.gov (United States)

Zhang, Fan; Song, Jun; Hu, Rui; Xiang, Yuren; He, Junjie; Hao, Yuying; Lian, Jiarong; Zhang, Bin; Zeng, Pengju; Qu, Junle

2018-05-01

Organic-inorganic lead halide perovskite solar cells (PVSCs), as a competing technology with traditional inorganic solar cells, have now realized a high power conversion efficiency (PCE) of 22.1%. In PVSCs, interfacial carrier recombination is one of the dominant energy-loss mechanisms, which also results in the simultaneous loss of potential efficiency. In this work, for planar inverted PVSCs, the carrier recombination is dominated by the dopant concentration in the p-doped hole transport layers (HTLs), since the F4-TCNQ dopant induces more charge traps and electronic transmission channels, thus leading to a decrease in open-circuit voltages (V OC ). This issue is efficiently overcome by inserting a thin insulating polymer layer (poly(methyl methacrylate) or polystyrene) as a passivation layer with an appropriate thickness, which allows for increases in the V OC without significantly sacrificing the fill factor. It is believed that the passivation layer attributes to the passivation of interfacial recombination and the suppression of current leakage at the perovskite/HTL interface. By manipulating this interfacial passivation technique, a high PCE of 20.3% is achieved without hysteresis. Consequently, this versatile interfacial passivation methodology is highly useful for further improving the performance of planar inverted PVSCs. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interfacial structures in confined cap-turbulent and churn-turbulent flows

International Nuclear Information System (INIS)

Sun Xiaodong; Kim, Seungjin; Cheng Ling; Ishii, Mamoru; Beus, Stephen G.

2004-01-01

The objective of the present work is to study and model the interfacial structure development of air-water two-phase flow in a confined flow passage. Experiments of a total of 13 flow conditions in cap-turbulent and churn-turbulent flow regimes are carried out in a vertical air-water upward two-phase flow experimental loop with a test section of 200 mm in width and 10 mm in gap. Miniaturized four-sensor conductivity probes are used to measure local two-phase parameters at three different elevations for each flow condition. Bubble characteristics captured by the probes are categorized into two groups in view of the two-group interfacial area transport equation, i.e., spherical/distorted bubbles as Group 1 and cap/churn-turbulent bubbles as Group 2. The acquired local parameters are time-averaged void fraction, interfacial velocity, bubble number frequency, interfacial area concentration, and bubble Sauter mean diameter for each group of bubbles. Also, the line-averaged and area-averaged data are presented and discussed in detail. The comparisons of these parameters at different elevations demonstrate the development of interfacial structures along the flow direction due to bubble interactions and the hydrodynamic effects. Furthermore, these data can serve as one part of the experimental data for investigation of the interfacial area transport in a confined two-phase flow

Role of interfacial rheological properties in oil field chemistry

Energy Technology Data Exchange (ETDEWEB)

Lakatos-Szabo, J.; Lakatos, I.; Kosztin, B.

1996-12-31

Interfacial rheological properties of different Hungarian crude oil/water systems were determined in wide temperature and shear rate range and in presence of inorganic electrolytes, tensides, alkaline materials and polymers. The detailed laboratory study definitely proved that the interfacial rheological properties are extremely sensitive parameters towards the chemical composition of inmiscible formation liquids. Comparison and interpretation of the interfacial rheological properties may contribute significantly to extension of the weaponry of the reservoir characterization, better understanding of the displacement mechanism, development of the more profitable EOR/IOR methods, intensification of the surface technologies, optimization of the pipeline transportation and improvement of the refinery operations. It was evidenced that the interfacial rheology is an efficient and powerful detection technique, which may enhance the knowledge on formation, structure, properties and behaviour of interfacial layers. 17 refs., 18 figs., 2 tabs.

Mass Transport within Soils

Energy Technology Data Exchange (ETDEWEB)

McKone, Thomas E.

2009-03-01

Contaminants in soil can impact human health and the environment through a complex web of interactions. Soils exist where the atmosphere, hydrosphere, geosphere, and biosphere converge. Soil is the thin outer zone of the earth's crust that supports rooted plants and is the product of climate and living organisms acting on rock. A true soil is a mixture of air, water, mineral, and organic components. The relative proportions of these components determine the value of the soil for agricultural and for other human uses. These proportions also determine, to a large extent, how a substance added to soil is transported and/or transformed within the soil (Spositio, 2004). In mass-balance models, soil compartments play a major role, functioning both as reservoirs and as the principal media for transport among air, vegetation, surface water, deeper soil, and ground water (Mackay, 2001). Quantifying the mass transport of chemicals within soil and between soil and atmosphere is important for understanding the role soil plays in controlling fate, transport, and exposure to multimedia pollutants. Soils are characteristically heterogeneous. A trench dug into soil typically reveals several horizontal layers having different colors and textures. As illustrated in Figure 1, these multiple layers are often divided into three major horizons: (1) the A horizon, which encompasses the root zone and contains a high concentration of organic matter; (2) the B horizon, which is unsaturated, lies below the roots of most plants, and contains a much lower organic carbon content; and (3) the C horizon, which is the unsaturated zone of weathered parent rock consisting of bedrock, alluvial material, glacial material, and/or soil of an earlier geological period. Below these three horizons lies the saturated zone - a zone that encompasses the area below ground surface in which all interconnected openings within the geologic media are completely filled with water. Similarly to the unsaturated

USING MOLECULAR PROBES TO STUDY INTERFACIAL REDOX REACTION AT FE-BEARING SMECTITES

Science.gov (United States)

The interfacial electron transfer of clay-water systems has a wide range of significance in geochemical and biogeochernical environments. However the mechanism of interfacial electron transport is poorly understood. The electron transfer mechanism at the solid-water interfaces of...

Development and validation of a new solver based on the interfacial area transport equation for the numerical simulation of sub-cooled boiling with OpenFOAM CFD code for nuclear safety applications

Energy Technology Data Exchange (ETDEWEB)

Alali, Abdullah

2014-02-21

The one-group interfacial area transport equation has been coupled to a wall heat flux partitioning model in the framework of two-phase Eulerian approach using the OpenFOAM CFD code for better prediction of subcooled boiling phenomena which is essential for safety analysis of nuclear reactors. The interfacial area transport equation has been modified to include the effect of bubble nucleation at the wall and condensation by subcooled liquid in the bulk that governs the non-uniform bubble size distribution.

Development and validation of a new solver based on the interfacial area transport equation for the numerical simulation of sub-cooled boiling with OpenFOAM CFD code for nuclear safety applications

International Nuclear Information System (INIS)

Alali, Abdullah

2014-01-01

The one-group interfacial area transport equation has been coupled to a wall heat flux partitioning model in the framework of two-phase Eulerian approach using the OpenFOAM CFD code for better prediction of subcooled boiling phenomena which is essential for safety analysis of nuclear reactors. The interfacial area transport equation has been modified to include the effect of bubble nucleation at the wall and condensation by subcooled liquid in the bulk that governs the non-uniform bubble size distribution.

Impact of Interfacial Layers in Perovskite Solar Cells.

Science.gov (United States)

Cho, An-Na; Park, Nam-Gyu

2017-10-09

Perovskite solar cells (PCSs) are composed of organic-inorganic lead halide perovskite as the light harvester. Since the first report on a long-term-durable, 9.7 % efficient, solid-state perovskite solar cell, organic-inorganic halide perovskites have received considerable attention because of their excellent optoelectronic properties. As a result, a power conversion efficiency (PCE) exceeding 22 % was certified. Controlling the grain size, grain boundary, morphology, and defects of the perovskite layer is important for achieving high efficiency. In addition, interfacial engineering is equally or more important to further improve the PCE through better charge collection and a reduction in charge recombination. In this Review, the type of interfacial layers and their impact on photovoltaic performance are investigated for both the normal and the inverted cell architectures. Four different interfaces of fluorine-doped tin oxide (FTO)/electron-transport layer (ETL), ETL/perovskite, perovskite/hole-transport layer (HTL), and HTL/metal are classified, and their roles are investigated. The effects of interfacial engineering with organic or inorganic materials on photovoltaic performance are described in detail. Grain-boundary engineering is also included because it is related to interfacial engineering and the grain boundary in the perovskite layer plays an important role in charge conduction, recombination, and chargecarrier life time. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interfacial effects in a multistage mixer-settler operation

International Nuclear Information System (INIS)

Jiinshiung Horng; Daluh Lu; Yingchu Hoh

1988-01-01

A pilot-scale mixer-settler with twenty-one stages was used to investigate the interfacial tension change during extraction cycle for the complicated system: NdCl 3 -SmCl 3 -EuCl 3 -GdCl 3 -TbCl 3 -DyCl 3 -HCl- 1 M D2EHPA-kerosene. Interfacial tension, total rare earth (TRE) concentrations in both phases, aqueous acidities, and organic entrainment in the raffinate, etc., were measured for each stage. Murphree stage efficiencies based on organic phase were calculated and related to the interfacial tension profiles. In general, the lower the interfacial tension, the higher the stage efficiency observed. For the extraction section, the stage efficiency ranged from 80% - 100%, but for stripping (including scrubbing) section, it varied from 100% - 15%. For high acidic stripping agent, 5 M HCl, the relatively lower stage efficiency might be due to the protonation of the acidic extractant, therefore the interfacial resistance increased significantly. From the information of stage efficiency, mass transfer direction, and interfacial tension versus solute concentration etc., the Marangoni effect could be used to explain the interfacial phenomena of this complicated extraction system. The results of real stream tests in this investigation will be useful in future plant design. (author)

Texture mapping via optimal mass transport.

Science.gov (United States)

Dominitz, Ayelet; Tannenbaum, Allen

2010-01-01

In this paper, we present a novel method for texture mapping of closed surfaces. Our method is based on the technique of optimal mass transport (also known as the "earth-mover's metric"). This is a classical problem that concerns determining the optimal way, in the sense of minimal transportation cost, of moving a pile of soil from one site to another. In our context, the resulting mapping is area preserving and minimizes angle distortion in the optimal mass sense. Indeed, we first begin with an angle-preserving mapping (which may greatly distort area) and then correct it using the mass transport procedure derived via a certain gradient flow. In order to obtain fast convergence to the optimal mapping, we incorporate a multiresolution scheme into our flow. We also use ideas from discrete exterior calculus in our computations.

Prediction of adiabatic bubbly flows in TRACE using the interfacial area transport equation

International Nuclear Information System (INIS)

Talley, J.; Worosz, T.; Kim, S.; Mahaffy, J.; Bajorek, S.; Tien, K.

2011-01-01

The conventional thermal-hydraulic reactor system analysis codes utilize a two-field, two-fluid formulation to model two-phase flows. To close this model, static flow regime transition criteria and algebraic relations are utilized to estimate the interfacial area concentration (a i ). To better reflect the continuous evolution of two-phase flow, an experimental version of TRACE is being developed which implements the interfacial area transport equation (IATE) to replace the flow regime based approach. Dynamic estimation of a i is provided through the use of mechanistic models for bubble coalescence and disintegration. To account for the differences in bubble interactions and drag forces, two-group bubble transport is sought. As such, Group 1 accounts for the transport of spherical and distorted bubbles, while Group 2 accounts for the cap, slug, and churn-turbulent bubbles. Based on this categorization, a two-group IATE applicable to the range of dispersed two-phase flows has been previously developed. Recently, a one-group, one-dimensional, adiabatic IATE has been implemented into the TRACE code with mechanistic models accounting for: (1) bubble breakup due to turbulent impact of an eddy on a bubble, (2) bubble coalescence due to random collision driven by turbulent eddies, and (3) bubble coalescence due to the acceleration of a bubble in the wake region of a preceding bubble. To demonstrate the enhancement of the code's capability using the IATE, experimental data for a i , void fraction, and bubble velocity measured by a multi-sensor conductivity probe are compared to both the IATE and flow regime based predictions. In total, 50 air-water vertical co-current upward and downward bubbly flow conditions in pipes with diameters ranging from 2.54 to 20.32 cm are evaluated. It is found that TRACE, using the conventional flow regime relation, always underestimates a i . Moreover, the axial trend of the a i prediction is always quasi-linear because a i in the

Transport Visualization for Studying Mass Transfer and Solute Transport in Permeable Media

International Nuclear Information System (INIS)

Roy Haggerty

2004-01-01

Understanding and predicting mass transfer coupled with solute transport in permeable media is central to several energy-related programs at the US Department of Energy (e.g., CO 2 sequestration, nuclear waste disposal, hydrocarbon extraction, and groundwater remediation). Mass transfer is the set of processes that control movement of a chemical between mobile (advection-dominated) domains and immobile (diffusion- or sorption-dominated) domains within a permeable medium. Consequences of mass transfer on solute transport are numerous and may include (1) increased sequestration time within geologic formations; (2) reduction in average solute transport velocity by as much as several orders of magnitude; (3) long ''tails'' in concentration histories during removal of a solute from a permeable medium; (4) poor predictions of solute behavior over long time scales; and (5) changes in reaction rates due to mass transfer influences on pore-scale mixing of solutes. Our work produced four principle contributions: (1) the first comprehensive visualization of solute transport and mass transfer in heterogeneous porous media; (2) the beginnings of a theoretical framework that encompasses both macrodispersion and mass transfer within a single set of equations; (3) experimental and analytical tools necessary for understanding mixing and aqueous reaction in heterogeneous, granular porous media; (4) a clear experimental demonstration that reactive transport is often not accurately described by a simple coupling of the convection-dispersion equation with chemical reaction equations. The work shows that solute transport in heterogeneous media can be divided into 3 regimes--macrodispersion, advective mass transfer, and diffusive mass transfer--and that these regimes can be predicted quantitatively in binary media. We successfully predicted mass transfer in each of these regimes and verified the prediction by completing quantitative visualization experiments in each of the regimes, the

Recent advances in interfacial engineering of perovskite solar cells

Science.gov (United States)

Ye, Meidan; He, Chunfeng; Iocozzia, James; Liu, Xueqin; Cui, Xun; Meng, Xiangtong; Rager, Matthew; Hong, Xiaodan; Liu, Xiangyang; Lin, Zhiqun

2017-09-01

Due to recent developments, organometallic halide perovskite solar cells (PSCs) have attracted even greater interest owing to their impressive photovoltaic properties and simple device manufacturing processes with the potential for commercial applications. The power conversion efficiencies (PCEs) of PSCs have surged from 3.8% for methyl ammonium lead halide-sensitized liquid solar cells, CH3NH3PbX3 (X  =  Cl, Br, I), in 2009, to more than 22% for all-solid-state solar cells in 2016. Over the past few years, significant effort has been dedicated to realizing PSCs with even higher performance. In this review, recent advances in the interfacial engineering of PSCs are addressed. The specific strategies for the interfacial engineering of PSCs fall into two categories: (1) solvent treatment and additives to improve the light-harvesting capabilities of perovskite films, and (2) the incorporation of various functional materials at the interfaces between the active layers (e.g. electron transporting layer, perovskite layer, and hole transporting layer). This review aims to provide a comprehensive overview of strategies for the interfacial engineering of PSCs with potential benefits including enhanced light harvesting, improved charge separation and transport, improved device stability, and elimination of photocurrent hysteresis.

Electroless Formation of Hybrid Lithium Anodes for Fast Interfacial Ion Transport

KAUST Repository

Choudhury, Snehashis; Tu, Zhengyuan; Stalin, Sanjuna; Vu, Duylinh; Fawole, Kristen; Gunceler, Deniz; Sundararaman, Ravishankar; Archer, Lynden A.

2017-01-01

Rechargeable batteries based on metallic anodes are of interest for fundamental and application-focused studies of chemical and physical kinetics of liquids at solid interfaces. Approaches that allow facile creation of uniform coatings on these metals to prevent physical contact with liquid electrolytes, while enabling fast ion transport, are essential to address chemical instability of the anodes. Here, we report a simple electroless ion-exchange chemistry for creating coatings of indium on lithium. By means of joint density functional theory and interfacial characterization experiments, we show that In coatings stabilize Li by multiple processes, including exceptionally fast surface diffusion of lithium ions and high chemical resistance to liquid electrolytes. Indium coatings also undergo reversible alloying reactions with lithium ions, facilitating design of high-capacity hybrid In-Li anodes that use both alloying and plating approaches for charge storage. By means of direct visualization, we further show that the coatings enable remarkably compact and uniform electrodeposition. The resultant In-Li anodes are shown to exhibit minimal capacity fade in extended galvanostatic cycling when paired with commercial-grade cathodes.

Electroless Formation of Hybrid Lithium Anodes for Fast Interfacial Ion Transport

KAUST Repository

Choudhury, Snehashis

2017-08-17

Rechargeable batteries based on metallic anodes are of interest for fundamental and application-focused studies of chemical and physical kinetics of liquids at solid interfaces. Approaches that allow facile creation of uniform coatings on these metals to prevent physical contact with liquid electrolytes, while enabling fast ion transport, are essential to address chemical instability of the anodes. Here, we report a simple electroless ion-exchange chemistry for creating coatings of indium on lithium. By means of joint density functional theory and interfacial characterization experiments, we show that In coatings stabilize Li by multiple processes, including exceptionally fast surface diffusion of lithium ions and high chemical resistance to liquid electrolytes. Indium coatings also undergo reversible alloying reactions with lithium ions, facilitating design of high-capacity hybrid In-Li anodes that use both alloying and plating approaches for charge storage. By means of direct visualization, we further show that the coatings enable remarkably compact and uniform electrodeposition. The resultant In-Li anodes are shown to exhibit minimal capacity fade in extended galvanostatic cycling when paired with commercial-grade cathodes.

Interfacial transport phenomena

CERN Document Server

Slattery, John C; Oh, Eun-Suok

2007-01-01

Revised and updated extensively from the previous editionDiscusses transport phenomena at common lines or three-phase lines of contactProvides a comprehensive summary about the extensions of continuum mechanics to the nanoscale.

Mass Transport Through Carbon Nanotube-Polystyrene Bundles

Science.gov (United States)

Lin, Rongzhou; Tran, Tuan

2016-05-01

Carbon nanotubes have been widely used as test channels to study nanofluidic transport, which has been found to have distinctive properties compared to transport of fluids in macroscopic channels. A long-standing challenge in the study of mass transport through carbon nanotubes (CNTs) is the determination of flow enhancement. Various experimental investigations have been conducted to measure the flow rate through CNTs, mainly based on either vertically aligned CNT membranes or individual CNTs. Here, we proposed an alternative approach that can be used to quantify the mass transport through CNTs. This is a simple method relying on the use of carbon nanotube-polystyrene bundles, which are made of CNTs pulled out from a vertically aligned CNT array and glued together by polystyrene. We experimentally showed by using fluorescent tagging that the composite bundles allowed measureable and selective mass transport through CNTs. This type of composite bundle may be useful in various CNT research areas as they are simple to fabricate, less likely to form macroscopic cracks, and offer a high density of CNT pores while maintaining the aligned morphology of CNTs.

Radiochemical measurement of mass transport in sodium

International Nuclear Information System (INIS)

Cooper, M.H.; Chiang, S.H.

1976-01-01

Mass transport processes in the sodium coolant of Liquid Metal Fast Breeder Reactors (LMFBRs) are significant in determining rates of corrosion and deposition of radioactive nuclides from the fuel cladding, deposition and cold trapping of fission products from defect or failed fuel, carbon and nitrogen redistribution in the containment materials, and removal of impurities by cold trapping or hot trapping. Mass transport between rotating, concentric cylinders in molten sodium has been investigated using a unique radiochemical method. Long-lived (33 year) cesium-137, dissolved in the sodium, decays radioactively emitting a beta to barium-137m, which decays with a short half-life (2.6 minutes) emitting a gamma. Cesium is weakly adsorbed and remains in solution, while the barium is strongly adsorbed on the stainless steel surfaces. Hence, by measuring the barium-137m activity on movable stainless steel surfaces, one can calculate the mass transport to that surface. Mass transfer coefficients in sodium measured by this method are in agreement with published heat transfer correlations when the effect of the volumetric mass source is taken into account. Hence, heat transfer correlations can be confidently utilized by analogy in estimating mass transfer in liquid-metal systems

Interfacial structures of confined air-water two-phase bubbly flow

International Nuclear Information System (INIS)

Kim, S.; Ishii, M.; Wu, Q.; McCreary, D.; Beus, S.G.

2000-01-01

The interfacial structure of the two-phase flows is of great importance in view of theoretical modeling and practical applications. In the present study, the focus is made on obtaining detailed local two-phase parameters in the air-water bubbly flow in a rectangular vertical duct using the double-sensor conductivity probe. The characteristic wall-peak is observed in the profiles of the interracial area concentration and the void fraction. The development of the interfacial area concentration along the axial direction of the flow is studied in view of the interfacial area transport and bubble interactions. The experimental data is compared with the drift flux model with C 0 = 1.35

Tunable anomalous hall effect induced by interfacial catalyst in perpendicular multilayers

Science.gov (United States)

Zhang, J. Y.; Peng, W. L.; Sun, Q. Y.; Liu, Y. W.; Dong, B. W.; Zheng, X. Q.; Yu, G. H.; Wang, C.; Zhao, Y. C.; Wang, S. G.

2018-04-01

The interfacial structures, playing a critical role on the transport properties and the perpendicular magnetic anisotropy in thin films and multilayers, can be modified by inserting an ultrathin functional layer at the various interfaces. The anomalous Hall effect (AHE) in the multilayers with core structure of Ta/CoFeB/X/MgO/Ta (X: Hf or Pt) is tuned by interfacial catalytic engineering. The saturation anomalous Hall resistance (RAH) is increased by 16.5% with 0.1 nm Hf insertion compared with the reference sample without insertion. However, the RAH value is decreased by 9.0% with 0.1 nm Pt insertion. The interfacial states were characterized by the X-ray photoelectron spectroscopy (XPS). The XPS results indicate that a strong bonding between Hf and O for Hf insertion, but no bonding between Pt and O for Pt insertion. The bonding between metal and oxygen leads to various oxygen migration behavior at the interfaces. Therefore, the opposite behavior about the RAH originates from the different oxygen behavior due to various interfacial insertion. This work provides a new approach to manipulate spin transport property for the potential applications.

Space Geodesy Monitoring Mass Transport in Global Geophysical Fluids

Science.gov (United States)

Chao, Benjamin F.

2004-01-01

Mass transports occurring in the atmosphere-hydrosphere-cryosphere-solid Earth-core system (the 'global geophysical fluids') are important geophysical phenomena. They occur on all temporal and spatial scales. Examples include air mass and ocean circulations, oceanic and solid tides, hydrological water and idsnow redistribution, mantle processes such as post-glacial rebound, earthquakes and tectonic motions, and core geodynamo activities. The temporal history and spatial pattern of such mass transport are often not amenable to direct observations. Space geodesy techniques, however, have proven to be an effective tool in monitorihg certain direct consequences of the mass transport, including Earth's rotation variations, gravitational field variations, and the geocenter motion. Considerable advances have been made in recent years in observing and understanding of these geodynamic effects. This paper will use several prominent examples to illustrate the triumphs in research over the past years under a 'Moore's law' in space geodesy. New space missions and projects promise to further advance our knowledge about the global mass transports. The latter contributes to our understanding of the geophysical processes that produce and regulate the mass transports, as well as of the solid Earth's response to such changes in terms of Earth's mechanical properties.

Interfacial structures of confined air-water two-phase bubbly flow

Energy Technology Data Exchange (ETDEWEB)

Kim, S.; Ishii, M.; Wu, Q.; McCreary, D.; Beus, S.G.

2000-08-01

The interfacial structure of the two-phase flows is of great importance in view of theoretical modeling and practical applications. In the present study, the focus is made on obtaining detailed local two-phase parameters in the air-water bubbly flow in a rectangular vertical duct using the double-sensor conductivity probe. The characteristic wall-peak is observed in the profiles of the interracial area concentration and the void fraction. The development of the interfacial area concentration along the axial direction of the flow is studied in view of the interfacial area transport and bubble interactions. The experimental data is compared with the drift flux model with C{sub 0} = 1.35.

Ring waves as a mass transport mechanism in air-driven core-annular flows.

Science.gov (United States)

Camassa, Roberto; Forest, M Gregory; Lee, Long; Ogrosky, H Reed; Olander, Jeffrey

2012-12-01

Air-driven core-annular fluid flows occur in many situations, from lung airways to engineering applications. Here we study, experimentally and theoretically, flows where a viscous liquid film lining the inside of a tube is forced upwards against gravity by turbulent airflow up the center of the tube. We present results on the thickness and mean speed of the film and properties of the interfacial waves that develop from an instability of the air-liquid interface. We derive a long-wave asymptotic model and compare properties of its solutions with those of the experiments. Traveling wave solutions of this long-wave model exhibit evidence of different mass transport regimes: Past a certain threshold, sufficiently large-amplitude waves begin to trap cores of fluid which propagate upward at wave speeds. This theoretical result is then confirmed by a second set of experiments that show evidence of ring waves of annular fluid propagating over the underlying creeping flow. By tuning the parameters of the experiments, the strength of this phenomenon can be adjusted in a way that is predicted qualitatively by the model.

Electroless formation of hybrid lithium anodes for fast interfacial ion transport

Energy Technology Data Exchange (ETDEWEB)

Choudhury, Snehashis; Stalin, Sanjuna; Vu, Duylinh; Fawole, Kristen; Archer, Lynden A. [School of Chemical and Biomolecular Engineering, Cornell University, Ithaca, NY (United States); Tu, Zhengyuan [Department of Material Science and Engineering, Cornell University, Ithaca, NY (United States); Gunceler, Deniz [Department of Physics, Cornell University, Ithaca, NY (United States); Sundararaman, Ravishankar [Material Science and Engineering, Rensselaer Polytechnic Institute, Troy, NY (United States)

2017-10-09

Rechargeable batteries based on metallic anodes are of interest for fundamental and application-focused studies of chemical and physical kinetics of liquids at solid interfaces. Approaches that allow facile creation of uniform coatings on these metals to prevent physical contact with liquid electrolytes, while enabling fast ion transport, are essential to address chemical instability of the anodes. Here, we report a simple electroless ion-exchange chemistry for creating coatings of indium on lithium. By means of joint density functional theory and interfacial characterization experiments, we show that In coatings stabilize Li by multiple processes, including exceptionally fast surface diffusion of lithium ions and high chemical resistance to liquid electrolytes. Indium coatings also undergo reversible alloying reactions with lithium ions, facilitating design of high-capacity hybrid In-Li anodes that use both alloying and plating approaches for charge storage. By means of direct visualization, we further show that the coatings enable remarkably compact and uniform electrodeposition. The resultant In-Li anodes are shown to exhibit minimal capacity fade in extended galvanostatic cycling when paired with commercial-grade cathodes. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Effect of interfacial turbulence and accommodation coefficient on CFD predictions of pressurization and pressure control in cryogenic storage tank

Science.gov (United States)

Kassemi, Mohammad; Kartuzova, Olga

2016-03-01

Pressurization and pressure control in cryogenic storage tanks are to a large extent affected by heat and mass transport across the liquid-vapor interface. These mechanisms are, in turn, controlled by the kinetics of the phase change process and the dynamics of the turbulent recirculating flows in the liquid and vapor phases. In this paper, the effects of accommodation coefficient and interfacial turbulence on tank pressurization and pressure control simulations are examined. Comparison between numerical predictions and ground-based measurements in two large liquid hydrogen tank experiments, performed in the K-site facility at NASA Glenn Research Center (GRC) and the Multi-purpose Hydrogen Test Bed (MHTB) facility at NASA Marshall Space Flight Center (MSFC), are used to show the impact of accommodation coefficient and interfacial and vapor phase turbulence on evolution of pressure and temperatures in the cryogenic storage tanks. In particular, the self-pressurization comparisons indicate that: (1) numerical predictions are essentially independent of the magnitude of the accommodation coefficient; and (2) surprisingly, laminar models sometimes provide results that are in better agreement with experimental self-pressurization rates, even in parametric ranges where the bulk flow is deemed fully turbulent. In this light, shortcomings of the present CFD models, especially, numerical treatments of interfacial mass transfer and turbulence, as coupled to the Volume-of-Fluid (VOF) interface capturing scheme, are underscored and discussed.

Interfacial electron and phonon scattering processes in high-powered nanoscale applications.

Energy Technology Data Exchange (ETDEWEB)

Hopkins, Patrick E.

2011-10-01

The overarching goal of this Truman LDRD project was to explore mechanisms of thermal transport at interfaces of nanomaterials, specifically linking the thermal conductivity and thermal boundary conductance to the structures and geometries of interfaces and boundaries. Deposition, fabrication, and post possessing procedures of nanocomposites and devices can give rise to interatomic mixing around interfaces of materials leading to stresses and imperfections that could affect heat transfer. An understanding of the physics of energy carrier scattering processes and their response to interfacial disorder will elucidate the potentials of applying these novel materials to next-generation high powered nanodevices and energy conversion applications. An additional goal of this project was to use the knowledge gained from linking interfacial structure to thermal transport in order to develop avenues to control, or 'tune' the thermal transport in nanosystems.

Interfacial effects in organic semiconductor heterojunctions

International Nuclear Information System (INIS)

Stadler, P.

2011-01-01

The field of organic electronics has systematically gained interest in recent years, technologically and scientifically advances have been made leading to practical applications such as organic light emitting diodes, organic field-effect transistors and organic photo-voltaic cells. In this thesis a fundamental study on organic molecules is presented targeting on interfacial effects at organic heterojunctions. Generally in organic electronic devices interfaces are considered as key parameters for achieving high performance applications. Therefore in this work the emphasis is to investigate layer-by-layer heterojunctions of organic molecules. Defined heterojunctions at inorganic III-V semiconductors form superlattices and quantum-wells, which lead to interfacial effects summarized as quantum confinement and two-dimensional electron gases. Although organic molecules differ in many aspects from their inorganic counterparts, similar effects can be theoretically expected at organic heterojunctions as well. Organic molecules form van-der-Waals type crystals and domains which are macroscopically anisotropic and polycrystalline or amorphous. Organic molecules are intrinsic semiconductors and at interfaces dipoles are formed, which control the energy level alignment. In order to characterize such structures and compare them to inorganic superlattices and quantum-wells it is necessary to induce charge carriers. In this work this is established either by interfacial doping using high-performance dielectrics in a field-effect transistor structure or by photo-doping by exciting a donor-acceptor bilayer. In both cases C 60 was chosen as organic semiconductor exhibiting good acceptor properties and an electron mobility in the range of 0.5 cm 2 V -1 s -1 . The fabrication of well-defined few-molecular layers allows probing directly at the interface. Spectroscopic methods and transport measurements are applied for characterization: Photoemission spectroscopy, absorption and photo

Interfacial and transport properties of nanoconstrained inorganic and organic materials

Science.gov (United States)

Kocherlakota, Lakshmi Suhasini

Nanoscale constraints impact the material properties of both organic and inorganic systems. The systems specifically studied here are (i) nanoconstrained polymeric systems, poly(l-trimethylsilyl-1-propyne) (PTMSP) and poly(ethylene oxide) (PEO) relevant to gas separation membranes (ii) Zwitterionic polymers poly(sulfobetaine methacrylate)(pSBMA), poly(carboxybetaine acrylamide) (pCBAA), and poly(oligo(ethylene glycol) methyl methacrylate) (PEGMA) brushes critical for reducing bio-fouling (iii) Surface properties of N-layer graphene sheets. Interfacial constraints in ultrathin poly(l-trimethylsilyl-1-propyne) (PTMSP) membranes yielded gas permeabilities and CO2/helium selectivities that exceed bulk PTMSP membrane transport properties by up to three-fold for membranes of submicrometer thickness. Indicative of a free volume increase, a molecular energetic mobility analysis (involving intrinsic friction analysis) revealed enhanced methyl side group mobilities in thin PTMSP membranes with maximum permeation, compared to bulk films. Aging studies conducted over the timescales relevant to the conducted experiments signify that the free volume states in the thin film membranes are highly unstable in the presence of sorbing gases such as CO2. To maintain this high free volume configuration of polymer while improving the temporal stability an "inverse" architecture to conventional polymer nanocomposites was investigated, in which the polymer phase of PTMSP and PEO were interfacially and dimensionally constrained in nanoporous anodic aluminum oxide (AAO) membranes. While with this architecture the benefits of nanocomposite and ultrathin film membranes of PTMSP could be reproduced and improved upon, also the temporal stability could be enhanced substantially. The PEO-AAO nanocomposite membranes also revealed improved gas selectivity properties of CO2 over helium. In the thermal transition studies of zwitterionic pSBMA brushes a reversible critical transition temperature of 60

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

KAUST Repository

Zhao, Kui

2016-07-13

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

Interfacial Layer Engineering for Performance Enhancement in Polymer Solar Cells

Directory of Open Access Journals (Sweden)

Hao Zeng

2015-02-01

Full Text Available Improving power conversion efficiency and device performance stability is the most critical challenge in polymer solar cells for fulfilling their applications in industry at large scale. Various methodologies have been developed for realizing this goal, among them interfacial layer engineering has shown great success, which can optimize the electrical contacts between active layers and electrodes and lead to enhanced charge transport and collection. Interfacial layers also show profound impacts on light absorption and optical distribution of solar irradiation in the active layer and film morphology of the subsequently deposited active layer due to the accompanied surface energy change. Interfacial layer engineering enables the use of high work function metal electrodes without sacrificing device performance, which in combination with the favored kinetic barriers against water and oxygen penetration leads to polymer solar cells with enhanced performance stability. This review provides an overview of the recent progress of different types of interfacial layer materials, including polymers, small molecules, graphene oxides, fullerene derivatives, and metal oxides. Device performance enhancement of the resulting solar cells will be elucidated and the function and operation mechanism of the interfacial layers will be discussed.

Interfacial phenomenon theory

International Nuclear Information System (INIS)

Kim, Jong Deuk

2000-02-01

This book is composed of 8 chapters. It tells what interfacial phenomenon is by showing interfacial energy, characteristic of interface and system of interface from chapter 1. It also introduces interfacial energy and structure theory, molecular structure and orientation theory, and interfacial electricity phenomenon theory in the following 3 chapters. It still goes on by introducing super molecule cluster, disequilibrium dispersion, and surface and film through 3 chapters. And the last chapter is about colloid and application of interface.

Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding.

Science.gov (United States)

Joly, Laurent; Tocci, Gabriele; Merabia, Samy; Michaelides, Angelos

2016-04-07

Defects are inevitably present in nanofluidic systems, yet the role they play in nanofluidic transport remains poorly understood. Here, we report ab initio molecular dynamics (AIMD) simulations of the friction of liquid water on defective graphene and boron nitride sheets. We show that water dissociates at certain defects and that these "reactive" defects lead to much larger friction than the "nonreactive" defects at which water molecules remain intact. Furthermore, we find that friction is extremely sensitive to the chemical structure of reactive defects and to the number of hydrogen bonds they can partake in with the liquid. Finally, we discuss how the insight obtained from AIMD can be used to quantify the influence of defects on friction in nanofluidic devices for water treatment and sustainable energy harvesting. Overall, we provide new insight into the role of interfacial chemistry on nanofluidic transport in real, defective systems.

TFB:TPDSi2 interfacial layer usable in organic photovoltaic cells

Science.gov (United States)

Marks, Iobin J [Evanston, IL; Hains, Alexander W [Evanston, IL

2011-02-15

The present invention, in one aspect, relates to a solar cell. In one embodiment, the solar cell includes an anode; an active organic layer comprising an electron-donating organic material and an electron-accepting organic material; and an interfacial layer formed between the anode and active organic layer, where the interfacial layer comprises a hole-transporting polymer characterized with a hole-mobility higher than that of the electron-donating organic material in the active organic layer, and a small molecule that has a high hole-mobility and is capable of crosslinking on contact with air.

Electric current induced forward and anomalous backward mass transport

International Nuclear Information System (INIS)

Somaiah, Nalla; Sharma, Deepak; Kumar, Praveen

2016-01-01

Multilayered test samples were fabricated in form of standard Blech structure, where W was used as the interlayer between SiO 2 substrate and Cu film. Electromigration test was performed at 250 °C by passing an electric current with a nominal density of 3.9  ×  10 10 A m −2 . In addition to the regular electromigration induced mass transport ensuing from the cathode towards the anode, we also observed anomalous mass transport from the anode to the cathode, depleting Cu from the anode as well. We propose an electromigration-thermomigration coupling based reasoning to explain the observed mass transport. (letter)

Optimal partial mass transportation and obstacle Monge-Kantorovich equation

Science.gov (United States)

Igbida, Noureddine; Nguyen, Van Thanh

2018-05-01

Optimal partial mass transport, which is a variant of the optimal transport problem, consists in transporting effectively a prescribed amount of mass from a source to a target. The problem was first studied by Caffarelli and McCann (2010) [6] and Figalli (2010) [12] with a particular attention to the quadratic cost. Our aim here is to study the optimal partial mass transport problem with Finsler distance costs including the Monge cost given by the Euclidian distance. Our approach is different and our results do not follow from previous works. Among our results, we introduce a PDE of Monge-Kantorovich type with a double obstacle to characterize active submeasures, Kantorovich potential and optimal flow for the optimal partial transport problem. This new PDE enables us to study the uniqueness and monotonicity results for the active submeasures. Another interesting issue of our approach is its convenience for numerical analysis and computations that we develop in a separate paper [14] (Igbida and Nguyen, 2018).

Photo-induced Mass Transport through Polymer Networks

Science.gov (United States)

Meng, Yuan; Anthamatten, Mitchell

2014-03-01

Among adaptable materials, photo-responsive polymers are especially attractive as they allow for spatiotemporal stimuli and response. We have recently developed a macromolecular network capable of photo-induced mass transport of covalently bound species. The system comprises of crosslinked chains that form an elastic network and photosensitive fluorescent arms that become mobile upon irradiation. We form loosely crosslinked polymer networks by Michael-Addition between multifunctional thiols and small molecule containing acrylate end-groups. The arms are connected to the network by allyl sulfide, that undergoes addition-fragmentation chain transfer (AFCT) in the presence of free radicals, releasing diffusible fluorophore. The networks are loaded with photoinitiator to allow for spatial modulation of the AFCT reactions. FRAP experiments within bulk elastomers are conducted to establish correlations between the fluorophore's diffusion coefficient and experimental variables such as network architecture, temperature and UV intensity. Photo-induced mass transport between two contacted films is demonstrated, and release of fluorophore into a solvent is investigated. Spatial and temporal control of mass transport could benefit drug release, printing, and sensing applications.

Framework for reactive mass transport

DEFF Research Database (Denmark)

Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

2014-01-01

Reactive transport modeling is applicable for a range of porous materials. Here the modeling framework is focused on cement-based materials, where ion diffusion and migration are described by the Poisson-Nernst-Planck equation system. A two phase vapor/liquid flow model, with a sorption hysteresis...... description is coupled to the system. The mass transport is solved by using the finite element method where the chemical equilibrium is solved explicitly by an operator splitting method. The IPHREEQC library is used as chemical equilibrium solver. The equation system, solved by IPHREEQC, is explained...

Green-Kubo relations for dynamic interfacial excess properties

NARCIS (Netherlands)

Sagis, L.M.C.

2012-01-01

In this paper we analyze the fluctuations of the in-plane interfacial excess fluxes in multiphase systems, in the context of the extended irreversible thermodynamics formalism. We derive expressions for the time correlation functions of the surface extra stress tensor, the surface mass flux vector,

A Summary of Interfacial Heat Transfer Models and Correlations

Energy Technology Data Exchange (ETDEWEB)

Bae, Sung Won; Cho, Hyung Kyu; Lee, Young Jin; Kim, Hee Chul; Jung, Young Jong; Kim, K. D. [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2007-10-15

A long term project has been launched in October 2006 to develop a plant safety analysis code. 5 organizations are joining together for the harmonious coworking to build up the code. In this project, KAERI takes the charge of the building up the physical models and correlations about the transport phenomena. The momentum and energy transfer terms as well as the mass are surveyed from the RELAP5/MOD3, RELAP5-3D, CATHARE, and TRAC-M does. Also the recent papers are surveyed. Among these resources, most of the CATHARE models are based on their own experiment and test results. Thus, the CATHARE models are only used as the comparison purposes. In this paper, a summary of the models and the correlations about the interfacial heat transfer are represented. These surveyed models and correlations will be tested numerically and one correlation is selected finally.

Molecular Level Manipulation of Interfacial Charge Transport

Science.gov (United States)

Song, Charles Kiseok

The bulk-heterojunction organic (BHJ) photovoltaics (OPVs) and lithium ion battery (LiB) have been extensively studied. Power conversion efficiency (PCE) of an OPV greater than 10% and utilizing group 4 elements as the anode to accommodate high capacity for LiBs are the goals of many studies. However, the currently ubiquitous hole-collecting layer of OPVs limit device performance and durability, and group 4 elements are unstable and brittle to be commercially produced. Thus, my thesis has focused on developing functional and durable interfacial layers (IFLs) for OPVs and characterizing flexible artificial solid-electrolyte interphase (SEI) for LiBs. In Chapter 2, a series of robust organosilane-based dipolar self-assembled monolayer (SAM) IFLs on the tin-doped indium oxide (ITO) anodes of OPVs are developed. These hydrophobic and amorphous IFLs modify anode work functions from 4.66 to 5.27 eV. Two series of Glass/ITO/SAM IFL/Active Layer/LiF/Al BHJ OPVs are fabricated, and a strong positive correlation between the electrochemically-derived heterogeneous electron transport rate constants (ks) and OPV PCEs are observed due to enhanced anode carrier extraction. In Chapter 3, a series of unusually denser organosilane-based SAM IFLs on ITO anodes of OPVs are developed. Precursor mixtures having short and long tail groups were simultaneously deposited to minimize sterical encumbrance and denser SAM IFLs are achieved. These heterogeneous supersaturated SAMs (SHSAMs), with PCE (7.62%) exceeding that of PEDOT:PSS IFL, are found to be 17% denser and enhances PCE by 54% versus comparable devices with homogeneous SAM IFLs due to enhanced charge selectivity and collection. In Chapter 4, libraries of electron affinities (EAs) of widely used conductive polymers are constructed by cyclic voltammetry (CV) in conventional and LiB media. The EAs of the conductive polymer films measured via CV in conventional (EAC) and Li+ battery (EAB) media could be linearly correlated by EAB = (1

Mathematical modeling of liquid/liquid hollow fiber membrane contactor accounting for interfacial transport phenomena: Extraction of lanthanides as a surrogate for actinides

International Nuclear Information System (INIS)

Rogers, J.D.

1994-01-01

This report is divided into two parts. The second part is divided into the following sections: experimental protocol; modeling the hollow fiber extractor using film theory; Graetz model of the hollow fiber membrane process; fundamental diffusive-kinetic model; and diffusive liquid membrane device-a rigorous model. The first part is divided into: membrane and membrane process-a concept; metal extraction; kinetics of metal extraction; modeling the membrane contactor; and interfacial phenomenon-boundary conditions-applied to membrane transport

Dynamic characterization of external and internal mass transport in heterotrophic biofilms from microsensors measurements.

Science.gov (United States)

Guimerà, Xavier; Dorado, Antonio David; Bonsfills, Anna; Gabriel, Gemma; Gabriel, David; Gamisans, Xavier

2016-10-01

Knowledge of mass transport mechanisms in biofilm-based technologies such as biofilters is essential to improve bioreactors performance by preventing mass transport limitation. External and internal mass transport in biofilms was characterized in heterotrophic biofilms grown on a flat plate bioreactor. Mass transport resistance through the liquid-biofilm interphase and diffusion within biofilms were quantified by in situ measurements using microsensors with a high spatial resolution (mass transport coefficients. The sensitivity of external and internal mass transport resistances to flow conditions within the range of typical fluid velocities over biofilms (Reynolds numbers between 0.5 and 7) was assessed. Estimated external mass transfer coefficients at different liquid phase flow velocities showed discrepancies with studies considering laminar conditions in the diffusive boundary layer near the liquid-biofilm interphase. The correlation of effective diffusivity with flow velocities showed that the heterogeneous structure of biofilms defines the transport mechanisms inside biofilms. Internal mass transport was driven by diffusion through cell clusters and aggregates at Re below 2.8. Conversely, mass transport was driven by advection within pores, voids and water channels at Re above 5.6. Between both flow velocities, mass transport occurred by a combination of advection and diffusion. Effective diffusivities estimated at different biofilm densities showed a linear increase of mass transport resistance due to a porosity decrease up to biofilm densities of 50 g VSS·L(-1). Mass transport was strongly limited at higher biofilm densities. Internal mass transport results were used to propose an empirical correlation to assess the effective diffusivity within biofilms considering the influence of hydrodynamics and biofilm density. Copyright © 2016 Elsevier Ltd. All rights reserved.

The effect of mass transport on the graphite/CO2 reaction

International Nuclear Information System (INIS)

Stephen, W.J.

1984-11-01

The Graphite/CO 2 reaction is strongly inhibited by the reaction product CO and therefore any model for the influence of mass transport on reaction rate should consider this. The problem of internal mass transport alone has been considered in previous notes. This note extends the models to include external mass transport. Results are compared with simple first order reaction with no volume change. The calculations demonstrate that, for strong CO inhibition, external mass transport limits reaction at a much lower rate than for first order kinetics and that the usual concept of three reaction zones corresponding to chemical control, in-pore diffusion control and boundary layer control can be unrealistically idealised. (U.K.)

Shape signature based on Ricci flow and optimal mass transportation

Science.gov (United States)

Luo, Wei; Su, Zengyu; Zhang, Min; Zeng, Wei; Dai, Junfei; Gu, Xianfeng

2014-11-01

A shape signature based on surface Ricci flow and optimal mass transportation is introduced for the purpose of surface comparison. First, the surface is conformally mapped onto plane by Ricci flow, which induces a measure on the planar domain. Second, the unique optimal mass transport map is computed that transports the new measure to the canonical measure on the plane. The map is obtained by a convex optimization process. This optimal transport map encodes all the information of the Riemannian metric on the surface. The shape signature consists of the optimal transport map, together with the mean curvature, which can fully recover the original surface. The discrete theories of surface Ricci flow and optimal mass transportation are explained thoroughly. The algorithms are given in detail. The signature is tested on human facial surfaces with different expressions accquired by structured light 3-D scanner based on phase-shifting method. The experimental results demonstrate the efficiency and efficacy of the method.

Phonon Transport at Crystalline Si/Ge Interfaces: The Role of Interfacial Modes of Vibration

Science.gov (United States)

Gordiz, Kiarash; Henry, Asegun

2016-01-01

We studied the modal contributions to heat conduction at crystalline Si and crystalline Ge interfaces and found that more than 15% of the interface conductance arises from less than 0.1% of the modes in the structure. Using the recently developed interface conductance modal analysis (ICMA) method along with a new complimentary methodology, we mapped the correlations between modes, which revealed that a small group of interfacial modes, which exist between 12–13 THz, exhibit extremely strong correlation with other modes in the system. It is found that these interfacial modes (e.g., modes with large eigen vectors for interfacial atoms) are enabled by the degree of anharmonicity near the interface, which is higher than in the bulk, and therefore allows this small group of modes to couple to all others. The analysis sheds light on the nature of localized vibrations at interfaces and can be enlightening for other investigations of localization. PMID:26979787

Frontiers in Cancer Nanomedicine: Directing Mass Transport through Biological Barriers

Science.gov (United States)

Ferrari, Mauro

2010-01-01

The physics of mass transport within body compartments and across biological barriers differentiates cancers from healthy tissues. Variants of nanoparticles can be manufactured in combinatorially large sets, varying only one transport-affecting design parameter at a time. Nanoparticles can also be used as building blocks for systems that perform sequences of coordinated actions, in accordance to a prescribed logic. These are referred to as Logic-Embedded Vectors “(LEV)” in the following. Nanoparticles and LEVs are ideal probes for the determination of mass transport laws in tumors, acting as imaging contrast enhancers, and can be employed for the lesion-selective delivery of therapy. Their size, shape, density and surface chemistry dominate convective transport in the blood stream, margination, cell adhesion, selective cellular uptake, as well as sub-cellular trafficking and localization. As argued here, the understanding of transport differentials in cancer, termed ‘transport oncophysics’ unveils a new promising frontier in oncology: the development of lesion-specific delivery particulates that exploit mass transport differentials to deploy treatment of greater efficacy and reduced side effects. PMID:20079548

Aerosol Particle Interfacial Thermodynamics and Phase Partitioning Measurements Using Biphasic Microfluidics

Science.gov (United States)

Dutcher, Cari; Metcalf, Andrew

2015-03-01

Secondary organic aerosol particles are nearly ubiquitous in the atmosphere and yet there remain large uncertainties in their formation processes and ambient properties. These particles are complex microenvironments, which can contain multiple interfaces due to internal aqueous-organic phase partitioning and to the external liquid-vapor surface. Interfacial properties affect the ambient aerosol morphology, or internal structure of the particle, which in turn can affect the way a particle interacts with an environment of condensable clusters and organic vapors. To improve our ability to accurately predict ambient aerosol morphology, we must improve our knowledge of aerosol interfaces and their interactions with the ambient environment. Unfortunately, many techniques employed to measure interfacial properties do so in bulk solutions or in the presence of a ternary (e.g. solid) phase. In this talk, a novel method using biphasic microscale flows will be introduced for generating, trapping, and perturbing complex interfaces at atmospherically relevant conditions. These microfluidic experiments utilize high-speed imaging to monitor interfacial phenomena at the microscale and are performed with phase contrast and fluorescence microscopy on a temperature-controlled inverted microscope stage. From these experiments, interfacial thermodynamic properties such as surface or interfacial tension, rheological properties such as interfacial moduli, and kinetic properties such as mass transfer coefficients can be measured or inferred.

Organic/inorganic electrochromic nanocomposites with various interfacial interactions: A review

Energy Technology Data Exchange (ETDEWEB)

Xiong, Shanxin, E-mail: xiongsx@xust.edu.cn; Yin, Siyuan; Wang, Yuyun; Kong, Zhenzhen; Lan, Jinpeng; Zhang, Runlan; Gong, Ming; Wu, Bohua; Chu, Jia; Wang, Xiaoqin

2017-07-15

Highlights: • We review the effects of interfacial interactions in electrochromic nanocomposites. • Interfacial interactions are useful for film fabrication and property-enhancement. • The strong interaction can enhance the electron conduction and structural strength. • The weak interactions exist widely between organic and inorganic phases. • Multiple weak interactions can provide various performance-adjusting approaches. - Abstract: Electrochromic properties of organic or inorganic materials can be improved through preparing organic/inorganic electrochromic nanocomposites. In electrochromic nanocomposites, the interfacial interactions between the organic and inorganic phases play three important roles in preparation and application of the nanocomposites. Firstly, the interfacial interactions result in stable molecular structures. Secondly, they also improve the electron conduction and ion transport process in the nanocomposites. Thirdly, they enhance the electrochemical and electrochromic properties of the nanocomposites. In this paper, we review the common interfacial interactions including covalent bond, coordination bond, electrostatic interaction, hydrogen bond and π-π stacking interaction between the organic and inorganic phases in the electrochromic nanocomposites. The preparation method, the relationship between the structure and properties, and the mechanism of modulation of electrochromic effect in the nanocomposites with various interfacial interactions are surveyed. The strong interfacial interaction, e.g., covalent bond, is helpful for obtaining electrochromic nanocomposites with high electron conduction and high structural strength. However it is very complicated to construct covalent bond between the organic and inorganic phases. Another strong interfacial interaction, the coordination bond is mainly confined to preparation of electrochromic complex of metal ion and pyridine derivative. While, the weak interfacial interactions, e

Organic/inorganic electrochromic nanocomposites with various interfacial interactions: A review

International Nuclear Information System (INIS)

Xiong, Shanxin; Yin, Siyuan; Wang, Yuyun; Kong, Zhenzhen; Lan, Jinpeng; Zhang, Runlan; Gong, Ming; Wu, Bohua; Chu, Jia; Wang, Xiaoqin

2017-01-01

Highlights: • We review the effects of interfacial interactions in electrochromic nanocomposites. • Interfacial interactions are useful for film fabrication and property-enhancement. • The strong interaction can enhance the electron conduction and structural strength. • The weak interactions exist widely between organic and inorganic phases. • Multiple weak interactions can provide various performance-adjusting approaches. - Abstract: Electrochromic properties of organic or inorganic materials can be improved through preparing organic/inorganic electrochromic nanocomposites. In electrochromic nanocomposites, the interfacial interactions between the organic and inorganic phases play three important roles in preparation and application of the nanocomposites. Firstly, the interfacial interactions result in stable molecular structures. Secondly, they also improve the electron conduction and ion transport process in the nanocomposites. Thirdly, they enhance the electrochemical and electrochromic properties of the nanocomposites. In this paper, we review the common interfacial interactions including covalent bond, coordination bond, electrostatic interaction, hydrogen bond and π-π stacking interaction between the organic and inorganic phases in the electrochromic nanocomposites. The preparation method, the relationship between the structure and properties, and the mechanism of modulation of electrochromic effect in the nanocomposites with various interfacial interactions are surveyed. The strong interfacial interaction, e.g., covalent bond, is helpful for obtaining electrochromic nanocomposites with high electron conduction and high structural strength. However it is very complicated to construct covalent bond between the organic and inorganic phases. Another strong interfacial interaction, the coordination bond is mainly confined to preparation of electrochromic complex of metal ion and pyridine derivative. While, the weak interfacial interactions, e

A Coupled Chemical and Mass Transport Model for Concrete Durability

DEFF Research Database (Denmark)

Jensen, Mads Mønster; Johannesson, Björn; Geiker, Mette Rica

2012-01-01

In this paper a general continuum theory is used to evaluate the service life of cement based materials, in terms of mass transport processes and chemical degradation of the solid matrix. The model established is a reactive mass transport model, based on an extended version of the Poisson-Nernst-...

Mathematical Investigation of Fluid Flow, Mass Transfer, and Slag-steel Interfacial Behavior in Gas-stirred Ladles

Science.gov (United States)

Cao, Qing; Nastac, Laurentiu

2018-06-01

In this study, the Euler-Euler and Euler-Lagrange modeling approaches were applied to simulate the multiphase flow in the water model and gas-stirred ladle systems. Detailed comparisons of the computational and experimental results were performed to establish which approach is more accurate for predicting the gas-liquid multiphase flow phenomena. It was demonstrated that the Euler-Lagrange approach is more accurate than the Euler-Euler approach. The Euler-Lagrange approach was applied to study the effects of the free surface setup, injected bubble size, gas flow rate, and slag layer thickness on the slag-steel interaction and mass transfer behavior. Detailed discussions on the flat/non-flat free surface assumption were provided. Significant inaccuracies in the prediction of the surface fluid flow characteristics were found when the flat free surface was assumed. The variations in the main controlling parameters (bubble size, gas flow rate, and slag layer thickness) and their potential impact on the multiphase fluid flow and mass transfer characteristics (turbulent intensity, mass transfer rate, slag-steel interfacial area, flow patterns, etc.,) in gas-stirred ladles were quantitatively determined to ensure the proper increase in the ladle refining efficiency. It was revealed that by injecting finer bubbles as well as by properly increasing the gas flow rate and the slag layer thickness, the ladle refining efficiency can be enhanced significantly.

Activity-Based Costing Application in an Urban Mass Transport Company

Directory of Open Access Journals (Sweden)

Popesko Boris

2011-12-01

Full Text Available The purpose of this paper is to provide a basic overview of the application of Activity-Based Costing in an urban mass transport company which operates land public transport via buses and trolleys within the city. The case study was conducted using the Activity-Based Methodology in order to calculate the true cost of individual operations and to measure the profitability of particular transport lines. The case study analysis showed the possible effects of the application of the Activity-Based Costing for an urban mass transport company as well as the limitations of using the ABC methodology in the service industry. With regards to the application of the ABC methodology, the primary limitation of the accuracy of the conclusions is the quality of the non-financial information which had to be gathered throughout the implementation process. A basic limitation of the accurate data acquisition is the nature of the fare system of the transport company which does not allow the identification of the route that is taken by an individual passenger. The study illustrates the technique of ABC in urban mass transport and provides a real company example of information outputs of the ABC system. The users indicated that, the ABC model is very useful for profitability reporting and profit management. Also, the paper shows specific application of the Activity-Based Methodology in conditions of urban mass transport companies with regional specifics.

A mass conservative numerical solution of vertical water flow and mass transport equations in unsaturated porous media

International Nuclear Information System (INIS)

Lim, S.C.; Lee, K.J.

1993-01-01

The Galerkin finite element method is used to solve the problem of one-dimensional, vertical flow of water and mass transport of conservative-nonconservative solutes in unsaturated porous media. Numerical approximations based on different forms of the governing equation, although they are equivalent in continuous forms, can result in remarkably different solutions in an unsaturated flow problem. Solutions given by a simple Galerkin method based on the h-based Richards equation yield a large mass balance error and an underestimation of the infiltration depth. With the employment of the ROMV (restoration of main variable) concept in the discretization step, the mass conservative numerical solution algorithm for water flow has been derived. The resulting computational schemes for water flow and mass transport are applied to sandy soil. The ROMV method shows good mass conservation in water flow analysis, whereas it seems to have a minor effect on mass transport. However, it may relax the time-step size restriction and so ensure an improved calculation output. (author)

Handbook of heat and mass transfer. Volume 2

International Nuclear Information System (INIS)

Cheremisinoff, N.P.

1986-01-01

This two-volume series, the work of more than 100 contributors, presents advanced topics in industrial heat and mass transfer operations and reactor design technology. Volume 2 emphasizes mass transfer and reactor design. Some of the contents discussed are: MASS TRANSFER PRINCIPLES - Effect of turbulence promoters on mass transfer. Mass transfer principles with homogeneous and heterogeneous reactions. Convective diffusion with reactions in a tube. Transient mass transfer onto small particles and drops. Modeling heat and mass transport in falling liquid films. Heat and mass transfer in film absorption. Multicomponent mass transfer: theory and applications. Diffusion limitation for reaction in porous catalysts. Kinetics and mechanisms of catalytic deactivation. DISTILLATION AND EXTRACTION - Generalized equations of state for process design. Mixture boiling. Estimating vapor pressure from normal boiling points of hydrocarbons. Estimating liquid and vapor molar fractions in distillation columns. Principles of multicomponent distillation. Generalized design methods for multicomponent distillation. Interfacial films in inorganic substances extraction. Liquid-liquid extraction in suspended slugs. MULTIPHASE REACTOR SYSTEMS - Reaction and mass transport in two-phase reactors. Mass transfer and kinetics in three-phase reactors. Estimating liquid film mass transfer coefficients in randomly packed columns. Designing packed tower wet scrubbers - emphasis on nitrogen oxides. Gas absorption in aerated mixers. Axial dispersion and heat transfer in gas-liquid bubble columns. Operation and design of trickle-bed reactors

Experimental study of interfacial shear stress for an analogy model of evaporative heat transfer

International Nuclear Information System (INIS)

Kwon, Hyuk; Park, GoonCherl; Min, ByungJoo

2008-01-01

In this study, we conducted measurements of an evaporative interfacial shear stress in a passive containment cooling system (PCCS). An interfacial shear stress for a counter-current flow was measured from a momentum balance equation and the interfacial friction factor for evaporation was evaluated by using experimental data. A model for the evaporative heat transfer coefficient of a vertical evaporative flat surface was developed based on an analogy between heat and momentum transfer. It was found that the interfacial shear stress increases with the Jacob number, which incorporates the evaporation rate, and the air and water Reynolds numbers. The relationship between the evaporative heat transfer and the interfacial shear stress was evaluated by using the experimental results. This relationship was used to develop a model for an evaporative heat transfer coefficient by using an analogy between heat and mass transfer. The prediction of this model were found to be in good agreement with the experimental data obtained for evaporative heat transfer by Kang and Park. (author)

Interfacial effects in multilayers

International Nuclear Information System (INIS)

Barbee, T.W. Jr.

1998-01-01

Interfacial structure and the atomic interactions between atoms at interfaces in multilayers or nano-laminates have significant impact on the physical properties of these materials. A technique for the experimental evaluation of interfacial structure and interfacial structure effects is presented and compared to experiment. In this paper the impact of interfacial structure on the performance of x-ray, soft x-ray and extreme ultra-violet multilayer optic structures is emphasized. The paper is concluded with summary of these results and an assessment of their implications relative to multilayer development and the study of buried interfaces in solids in general

Three-dimensional two-phase mass transport model for direct methanol fuel cells

International Nuclear Information System (INIS)

Yang, W.W.; Zhao, T.S.; Xu, C.

2007-01-01

A three-dimensional (3D) steady-state model for liquid feed direct methanol fuel cells (DMFC) is presented in this paper. This 3D mass transport model is formed by integrating five sub-models, including a modified drift-flux model for the anode flow field, a two-phase mass transport model for the porous anode, a single-phase model for the polymer electrolyte membrane, a two-phase mass transport model for the porous cathode, and a homogeneous mist-flow model for the cathode flow field. The two-phase mass transport models take account the effect of non-equilibrium evaporation/ condensation at the gas-liquid interface. A 3D computer code is then developed based on the integrated model. After being validated against the experimental data reported in the literature, the code was used to investigate numerically transport behaviors at the DMFC anode and their effects on cell performance

Mass transport modelling for the electroreduction of CO2 on Cu nanowires

Science.gov (United States)

Raciti, David; Mao, Mark; Wang, Chao

2018-01-01

Mass transport plays an important role in CO2 reduction electrocatalysis. Albeit being more pronounced on nanostructured electrodes, the studies of mass transport for CO2 reduction have yet been limited to planar electrodes. We report here the development of a mass transport model for the electroreduction of CO2 on Cu nanowire electrodes. Fed with the experimental data from electrocatalytic studies, the local concentrations of CO2, {{{{HCO}}}3}-,{{{{CO}}}3}2- and OH- on the nanostructured electrodes are calculated by solving the diffusion equations with spatially distributed electrochemical reaction terms incorporated. The mass transport effects on the catalytic activity and selectivity of the Cu nanowire electrocatalysts are thus discussed by using the local pH as the descriptor. The established correlations between the electrocatalytic performance and the local pH shows that, the latter does not only determine the acid-base reaction equilibrium, but also regulates the mass transport and reaction kinetics. Based on these findings, the optimal range of local pH for CO2 reduction is discussed in terms of a fine balance among the suppression of hydrogen evolution, improvement of C2 product selectivity and limitation of CO2 supply. Our work highlights the importance of understanding the mass transport effects in interpretation of CO2 reduction electrocatalysis on high-surface-area catalysts.

A Note on Diffusive Mass Transport.

Science.gov (United States)

Haynes, Henry W., Jr.

1986-01-01

Current chemical engineering textbooks teach that the driving force for diffusive mass transport in ideal solutions is the gradient in mole fraction. This is only true for ideal solution liquids. Therefore, it is shown that the appropriate driving force for use with ideal gases is the gradient in partial pressure. (JN)

Monte Carlo studies on the interfacial properties and interfacial structures of ternary symmetric blends with gradient copolymers.

Science.gov (United States)

Sun, Dachuan; Guo, Hongxia

2012-08-09

Using Monte Carlo simulation methods, the effects of the comonomer sequence distribution on the interfacial properties (including interfacial tension, interfacial thickness, saturated interfacial area per copolymer, and bending modulus) and interfacial structures (including chain conformations and comonomer distributions of the simulated copolymers at the interfaces) of a ternary symmetric blend containing two immiscible homopolymers and one gradient copolymer are investigated. We find that copolymers with a larger composition gradient width have a broader comonomer distribution along the interface normal, and hence more pronouncedly enlarge the interfacial thickness and reduce the interfacial tension. Furthermore, the counteraction effect, which arises from the tendency of heterogeneous segments in gradient copolymers to phase separate and enter their miscible phases to reduce the local enthalpy, decreases the stretching of copolymers along the interface normal direction. As a result, copolymers with a larger width of gradient composition can occupy a larger interfacial area and form softer monolayers at saturation and are more efficient in facilitating the formation of bicontinuous microemulsions. Additionally, chain length ratio, segregation strength, and interactions between homopolymers and copolymers can alter the interfacial character of gradient copolymers. There exists a strong coupling between the comonomer sequence distribution, chain conformation, and interfacial properties. Especially, bending modulus is mainly determined by the complicated interplay of interfacial copolymer density and interfacial chain conformation.

A solution-processed binary cathode interfacial layer facilitates electron extraction for inverted polymer solar cells.

Science.gov (United States)

Zhang, Xinyuan; Li, Zhiqi; Liu, Chunyu; Guo, Jiaxin; Shen, Liang; Guo, Wenbin

2018-03-15

The charge transfer and separation are significantly affected by the electron properties of the interface between the electron-donor layer and the carrier-transporting layer in polymer solar cells (PSCs). In this study, we investigate the electron extraction mechanism of PSCs with a low temperature solution-processed ZnO/PEI as electron transport layer. The incorporation of PEI layer can decrease the work function of ZnO and reduce interfacial barrier, which facilitates electron extraction and suppresses bimolecular recombination, leading to a significant performance enhancement. Furthermore, PEI layer can induce phase separation and passivite inorganic surface trap states as well as shift the interfacial energy offset between metal oxide and organic materials. This work offers a simple and effective way to improve the charge transporting property of organic photovoltaic devices. Copyright © 2017 Elsevier Inc. All rights reserved.

Insights in the Diffusion Controlled Interfacial Flow Synthesis of Au Nanostructures in a Microfluidic System.

Science.gov (United States)

Kulkarni, Amol A; Sebastian Cabeza, Victor

2017-12-19

Continuous segmented flow interfacial synthesis of Au nanostructures is demonstrated in a microchannel reactor. This study brings new insights into the growth of nanostructures at continuous interfaces. The size as well as the shape of the nanostructures showed significant dependence on the reactant concentrations, reaction time, temperature, and surface tension, which actually controlled the interfacial mass transfer. The microchannel reactor assisted in achieving a high interfacial area, as well as uniformity in mass transfer effects. Hexagonal nanostructures were seen to be formed in synthesis times as short as 10 min. The wettability of the channel showed significant effect on the particle size as well as the actual shape. The hydrophobic channel yielded hexagonal structures of relatively smaller size than the hydrophilic microchannel, which yielded sharp hexagonal bipyramidal particles (diagonal distance of 30 nm). The evolution of particle size and shape for the case of hydrophilic microchannel is also shown as a function of the residence time. The interfacial synthesis approach based on a stable segmented flow promoted an excellent control on the reaction extent, reduction in axial dispersion as well as the particle size distribution.

The mass transportation problem in Illinois : a final report

Science.gov (United States)

1959-06-01

Prepared by the State Mass Transportation Commission for the Honorable William G. Stratton, Governor of Illinois and the Honorable Members of the 71st General Assembly. The study contains the findings and recommendations of the Illinois State Mass Tr...

New modeling and experimental approaches for characterization of two-phase flow interfacial structure

International Nuclear Information System (INIS)

Ishii, Mamoru; Sun, Xiaodong

2004-01-01

This paper presents new experimental and modeling approaches in characterizing interfacial structures in gas-liquid two-phase flow. For the experiments, two objective approaches are developed to identify flow regimes and to obtain local interfacial structure data. First, a global measurement technique using a non-intrusive ring-type impedance void-meter and a self-organizing neural network is presented to identify the one-dimensional'' flow regimes. In the application of this measurement technique, two methods are discussed, namely, one based on the probability density function of the impedance probe measurement (PDF input method) and the other based on the sorted impedance signals, which is essentially the cumulative probability distribution function of the impedance signals (instantaneous direct signal input method). In the latter method, the identification can be made close to instantaneously since the required signals can be acquired over a very short time period. In addition, a double-sensor conductivity probe can also be used to obtain ''local'' flow regimes by using the instantaneous direct signal input method with the bubble chord length information. Furthermore, a newly designed conductivity probe with multiple double-sensor heads is proposed to obtain ''two-dimensional'' flow regimes across the flow channel. Secondly, a state-of-the-art four-sensor conductivity probe technique has been developed to obtain detailed local interfacial structure information. The four-sensor conductivity probe accommodates the double-sensor probe capability and can be applied in a wide range of flow regimes spanning from bubbly to churn-turbulent flows. The signal processing scheme is developed such that it categorizes the acquired parameters into two groups based on bubble cord length information. Furthermore, for the modeling of the interfacial structure characterization, the interfacial area transport equation proposed earlier has been studied to provide a dynamic and

Thermal transport across graphene and single layer hexagonal boron nitride

International Nuclear Information System (INIS)

Zhang, Jingchao; Hong, Yang; Yue, Yanan

2015-01-01

As the dimensions of nanocircuits and nanoelectronics shrink, thermal energies are being generated in more confined spaces, making it extremely important and urgent to explore for efficient heat dissipation pathways. In this work, the phonon energy transport across graphene and hexagonal boron-nitride (h-BN) interface is studied using classic molecular dynamics simulations. Effects of temperature, interatomic bond strength, heat flux direction, and functionalization on interfacial thermal transport are investigated. It is found out that by hydrogenating graphene in the hybrid structure, the interfacial thermal resistance (R) between graphene and h-BN can be reduced by 76.3%, indicating an effective approach to manipulate the interfacial thermal transport. Improved in-plane/out-of-plane phonon couplings and broadened phonon channels are observed in the hydrogenated graphene system by analyzing its phonon power spectra. The reported R results monotonically decrease with temperature and interatomic bond strengths. No thermal rectification phenomenon is observed in this interfacial thermal transport. Results reported in this work give the fundamental knowledge on graphene and h-BN thermal transport and provide rational guidelines for next generation thermal interface material designs

Optimal Filtering in Mass Transport Modeling From Satellite Gravimetry Data

Science.gov (United States)

Ditmar, P.; Hashemi Farahani, H.; Klees, R.

2011-12-01

Monitoring natural mass transport in the Earth's system, which has marked a new era in Earth observation, is largely based on the data collected by the GRACE satellite mission. Unfortunately, this mission is not free from certain limitations, two of which are especially critical. Firstly, its sensitivity is strongly anisotropic: it senses the north-south component of the mass re-distribution gradient much better than the east-west component. Secondly, it suffers from a trade-off between temporal and spatial resolution: a high (e.g., daily) temporal resolution is only possible if the spatial resolution is sacrificed. To make things even worse, the GRACE satellites enter occasionally a phase when their orbit is characterized by a short repeat period, which makes it impossible to reach a high spatial resolution at all. A way to mitigate limitations of GRACE measurements is to design optimal data processing procedures, so that all available information is fully exploited when modeling mass transport. This implies, in particular, that an unconstrained model directly derived from satellite gravimetry data needs to be optimally filtered. In principle, this can be realized with a Wiener filter, which is built on the basis of covariance matrices of noise and signal. In practice, however, a compilation of both matrices (and, therefore, of the filter itself) is not a trivial task. To build the covariance matrix of noise in a mass transport model, it is necessary to start from a realistic model of noise in the level-1B data. Furthermore, a routine satellite gravimetry data processing includes, in particular, the subtraction of nuisance signals (for instance, associated with atmosphere and ocean), for which appropriate background models are used. Such models are not error-free, which has to be taken into account when the noise covariance matrix is constructed. In addition, both signal and noise covariance matrices depend on the type of mass transport processes under

Transport and mass exchange processes in sand and gravel aquifers (v.1)

International Nuclear Information System (INIS)

Moltyaner, G.

1990-01-01

The objectives of this conference were to exchange information on promising field measurement techniques used for the characterization of spatial variability of geologic formations and on new methods used for quantifying the effect of spatial variability on groundwater flow and transport of materials; to discuss novel developments in the theory of transport processes and simulation methods; and to present views and opinions on future initiatives and directions in the design of large-scale field tracer experiments and the development of conceptual and mathematical models of transport and mass exchange processes. The 46 papers presented in these proceedings are divided into six sections: field studies of transport processes; groundwater tracers and novel field measurement techniques; promising methods and field measurement techniques for quantifying the effect of geological heterogeneities on groundwater flow and transport; novel developments in the theory of transport processes; numerical modelling of transport and mass exchange processes; and field and modelling studies of mass exchange processes. (L.L.)

Study on flow and mass transport through fractured soft sedimentary rocks (Contact research)

International Nuclear Information System (INIS)

Shimo, Michito; Kumamoto, Sou; Maekawa, Keisuke

2007-03-01

It is important for safety assessment of HLW geological disposal to evaluate groundwater flow and mass transport in deep underground accurately. Though it is considered that the mass transport in sedimentary rock occurs in pores between grains mainly, fractures of sedimentary rock can be main paths. The objective of this study is to establish a conceptual model for flow and mass transport in fractured soft sedimentary rock. In previous study, a series of laboratory hydraulic and tracer tests and numerical analyses were carried out using sedimentary rock specimens obtained from Koetoi and Wakkanai formation. Single natural fractured cores and rock block specimen were used for the tests and analyses. The results indicated that the matrix diffusion played an important role for mass transport in the fractured soft sedimentary rocks. In this study, the following two tasks were carried out: (1) laboratory hydraulic and tracer experiments of rock cores of Koetoi and Wakkanai formation obtained at HDB-9, HDB-10 and HDB-11 boreholes and a rock block specimen, Wakkanai formation, obtained at an outcrop in the Horonobe area, (2) a numerical study on the conceptual model of flow and mass transport through fractured soft sedimentary rocks. Non-sorbing tracer experiments using naturally fractured cores and rock block specimens were carried out. Pottasium iodide was used as a tracer. The obtained breakthrough curves were interpreted and fitted by using a numerical simulator, and mass transport parameters, such as longitudinal dispersivity, matrix diffusion coefficient, transport aperture, were obtained. Mass transport simulations using a fracture network model, a continuum model and a double porosity model were performed to study the applicability of continuum model and double porosity model for transport in fractured sedimentary rock. (author)

Fundamentals of Melt-Water Interfacial Transport Phenomena: Improved Understanding for Innovative Safety Technologies in ALWRs

Energy Technology Data Exchange (ETDEWEB)

M. Anderson; M. Corradini; K.Y. Bank; R. Bonazza; D. Cho

2005-04-26

The interaction and mixing of high-temperature melt and water is the important technical issue in the safety assessment of water-cooled reactors to achieve ultimate core coolability. For specific advanced light water reactor (ALWR) designs, deliberate mixing of the core-melt and water is being considered as a mitigative measure, to assure ex-vessel core coolability. The goal of this work is to provide the fundamental understanding needed for melt-water interfacial transport phenomena, thus enabling the development of innovative safety technologies for advanced LWRs that will assure ex-vessel core coolability. The work considers the ex-vessel coolability phenomena in two stages. The first stage is the melt quenching process and is being addressed by Argonne National Lab and University of Wisconsin in modified test facilities. Given a quenched melt in the form of solidified debris, the second stage is to characterize the long-term debris cooling process and is being addressed by Korean Maritime University in via test and analyses. We then address the appropriate scaling and design methodologies for reactor applications.

Modeling of isothermal bubbly flow with interfacial area transport equation and bubble number density approach

Energy Technology Data Exchange (ETDEWEB)

Sari, Salih [Hacettepe University, Department of Nuclear Engineering, Beytepe, 06800 Ankara (Turkey); Erguen, Sule [Hacettepe University, Department of Nuclear Engineering, Beytepe, 06800 Ankara (Turkey); Barik, Muhammet; Kocar, Cemil; Soekmen, Cemal Niyazi [Hacettepe University, Department of Nuclear Engineering, Beytepe, 06800 Ankara (Turkey)

2009-03-15

In this study, isothermal turbulent bubbly flow is mechanistically modeled. For the modeling, Fluent version 6.3.26 is used as the computational fluid dynamics solver. First, the mechanistic models that simulate the interphase momentum transfer between the gas (bubbles) and liquid (continuous) phases are investigated, and proper models for the known flow conditions are selected. Second, an interfacial area transport equation (IATE) solution is added to Fluent's solution scheme in order to model the interphase momentum transfer mechanisms. In addition to solving IATE, bubble number density (BND) approach is also added to Fluent and this approach is also used in the simulations. Different source/sink models derived for the IATE and BND models are also investigated. The simulations of experiments based on the available data in literature are performed by using IATE and BND models in two and three-dimensions. The results show that the simulations performed by using IATE and BND models agree with each other and with the experimental data. The simulations performed in three-dimensions give better agreement with the experimental data.

Modeling of isothermal bubbly flow with interfacial area transport equation and bubble number density approach

International Nuclear Information System (INIS)

Sari, Salih; Erguen, Sule; Barik, Muhammet; Kocar, Cemil; Soekmen, Cemal Niyazi

2009-01-01

In this study, isothermal turbulent bubbly flow is mechanistically modeled. For the modeling, Fluent version 6.3.26 is used as the computational fluid dynamics solver. First, the mechanistic models that simulate the interphase momentum transfer between the gas (bubbles) and liquid (continuous) phases are investigated, and proper models for the known flow conditions are selected. Second, an interfacial area transport equation (IATE) solution is added to Fluent's solution scheme in order to model the interphase momentum transfer mechanisms. In addition to solving IATE, bubble number density (BND) approach is also added to Fluent and this approach is also used in the simulations. Different source/sink models derived for the IATE and BND models are also investigated. The simulations of experiments based on the available data in literature are performed by using IATE and BND models in two and three-dimensions. The results show that the simulations performed by using IATE and BND models agree with each other and with the experimental data. The simulations performed in three-dimensions give better agreement with the experimental data

Fundamentals of Melt-Water Interfacial Transport Phenomena: Improved Understanding for Innovative Safety Technologies in ALWRs

International Nuclear Information System (INIS)

Anderson, M.; Corradini, M.; Bank, K.Y.; Bonazza, R.; Cho, D.

2005-01-01

The interaction and mixing of high-temperature melt and water is the important technical issue in the safety assessment of water-cooled reactors to achieve ultimate core coolability. For specific advanced light water reactor (ALWR) designs, deliberate mixing of the core-melt and water is being considered as a mitigative measure, to assure ex-vessel core coolability. The goal of this work is to provide the fundamental understanding needed for melt-water interfacial transport phenomena, thus enabling the development of innovative safety technologies for advanced LWRs that will assure ex-vessel core coolability. The work considers the ex-vessel coolability phenomena in two stages. The first stage is the melt quenching process and is being addressed by Argonne National Lab and University of Wisconsin in modified test facilities. Given a quenched melt in the form of solidified debris, the second stage is to characterize the long-term debris cooling process and is being addressed by Korean Maritime University in via test and analyses. We then address the appropriate scaling and design methodologies for reactor applications

Mass Transport Modeling for The Electroreduction of CO2 on Cu Nanowires.

Science.gov (United States)

Raciti, David; Mao, Mark; Wang, Chao

2017-11-20

Mass transport plays an important role in the CO₂ reduction electrocatalysis. Albeit being more pronounced on nanostructured electrodes, the studies of mass transport for CO₂ reduction have yet been limited to planar electrodes. We report here the development of a mass transport model for the electroreduction of CO₂ on Cu nanowire electrodes. Fed with the experimental data from electrocatalytic studies, the local concentrations of CO₂, HCO₃^-, CO₃^2- and OH^- on the nanostructured electrodes are calculated by solving the diffusion equations with spatially distributed electrochemical reaction terms incorporated. The mass transport effects on the catalytic activity and selectivity of the Cu nanowire electrocatalysts are thus discussed by using the local pH as the descriptor. The established correlations between the electrocatalytic performance and the local pH shows that, the latter does not only determine the acid-base reaction equilibrium, but also regulates the mass transport and reaction kinetics. Based on these findings, the optimal range of local pH for the CO₂ reduction is discussed in terms of a fine balance of the suppression of hydrogen evolution, improvement of C₂ product selectivity and limitation of CO₂ supply. Our work highlights the importance of understanding the mass transport effects in interpretation of the CO₂ reduction electrocatalysis on high-surface-area catalysts. © 2017 IOP Publishing Ltd.

Transport and transformation of surface water masses across the ...

African Journals Online (AJOL)

Transport and transformation of surface water masses across the Mascarene Plateau during the Northeast Monsoon season. ... Mixing occurs in the central gap between intermediate water masses (Red Sea Water [RSW] and Antarctic Intermediate Water [AAIW]) as well as in the upper waters (Subtropical Surface Water ...

Thickness Optimisation of Textiles Subjected to Heat and Mass Transport during Ironing

Directory of Open Access Journals (Sweden)

Korycki Ryszard

2016-09-01

Full Text Available Let us next analyse the coupled problem during ironing of textiles, that is, the heat is transported with mass whereas the mass transport with heat is negligible. It is necessary to define both physical and mathematical models. Introducing two-phase system of mass sorption by fibres, the transport equations are introduced and accompanied by the set of boundary and initial conditions. Optimisation of material thickness during ironing is gradient oriented. The first-order sensitivity of an arbitrary objective functional is analysed and included in optimisation procedure. Numerical example is the thickness optimisation of different textile materials in ironing device.

Mass transport in thin supported silica membranes

NARCIS (Netherlands)

Benes, Nieck Edwin

2000-01-01

In this thesis multi-component mass transport in thin supported amorphous silica membranes is discussed. These membranes are micro-porous, with pore diameters smaller than 4Å and show high fluxes for small molecules (such as hydrogen) combined with high selectivities for these molecules with respect

A model to quantify the resilience of mass railway transportation systems

International Nuclear Information System (INIS)

Adjetey-Bahun, Kpotissan; Birregah, Babiga; Châtelet, Eric; Planchet, Jean-Luc

2016-01-01

Traditional risk management approaches focus on perturbation events' likelihood and their consequences. However, recent events show that not all perturbation events can be foreseen. The concept of resilience has been introduced to measure not only the system's ability to absorb perturbations, but also its ability to rapidly recover from perturbations. In this work, we propose a simulation-based model for quantifying resilience in mass railway transportation systems by quantifying passenger delay and passenger load as the system's performance indicators. We integrate all subsystems that make up mass railway transportation systems (transportation, power, telecommunication and organisation subsystems) and their interdependencies. The model is applied to the Paris mass railway transportation system. The model's results show that since trains continue running within the system even by decreasing their speed, the system remains resilient. During the normal operation of the system as well as during perturbation, the model shows similarities with reality. The perturbation management plan that consists of setting up temporary train services on part of the impacted line while repairing the failed system's component is considered in this work. We also assess the extent to which some resilient system's capacities (i.e. absorption, adaptation and recovery) can increase the resilience of the system. - Highlights: • The need of resilience quantification models in sociotechnical systems. • We propose a simulation-based model. • This model is applied to Paris mass railway transportation system.

Development of Interfacial Structure in a Confined Air-Water Cap-Turbulent and Churn-Turbulent Flow

International Nuclear Information System (INIS)

Sun, X.; Kim, S.; Cheng, L.; Ishii, M.; Beus, S.G.

2001-01-01

The objective of the present work is to study and model the interfacial structure development of air-water two-phase flow in a confined test section. Experiments of a total of 9 flow conditions in a cap-turbulent and churn-turbulent flow regimes are carried out in a vertical air-water upward two-phase flow experimental loop with a test section of 20-cm in width and 1-cm in gap. The miniaturized four-sensor conductivity probes are used to measure local two-phase parameters at three different elevations for each flow condition. The bubbles captured by the probes are categorized into two groups in view of the two-group interfacial area transport equation, i.e., spherical/distorted bubbles as Group 1 and cap/churn-turbulent bubbles as Group 2. The acquired parameters are time-averaged local void fraction, interfacial velocity, bubble number frequency, interfacial area concentration, and bubble Sauter mean diameter for both groups of bubbles. Also, the line-averaged and area-averaged data are presented and discussed. The comparisons of these parameters at different elevations demonstrate the development of interfacial structure along the flow direction due to bubble interactions

Development of Interfacial Structure in a Confined Air-Water Cap-Turbulent and Churn-Turbulent Flow

International Nuclear Information System (INIS)

Xiaodong Sun; Seungjin Kim; Ling Cheng; Mamoru Ishii; Beus, Stephen G.

2002-01-01

The objective of the present work is to study and model the interfacial structure development of air-water two-phase flow in a confined test section. Experiments of a total of 9 flow conditions in cap-turbulent and churn-turbulent flow regimes are carried out in a vertical air-water upward two-phase flow experimental loop with a test section of 200-mm in width and 10-mm in gap. Miniaturized four-sensor conductivity probes are used to measure local two-phase parameters at three different elevations for each flow condition. The bubbles captured by the probes are categorized into two groups in view of the two-group interfacial area transport equation, i.e., spherical/distorted bubbles as Group 1 and cap/churn-turbulent bubbles as Group 2. The acquired parameters are time-averaged local void fraction, interfacial velocity, bubble number frequency, interfacial area concentration, and bubble Sauter mean diameter for both groups of bubbles. Also, the line-averaged and area-averaged data are presented and discussed. The comparisons of these parameters at different elevations demonstrate the development of interfacial structure along the flow direction due to bubble interactions. (authors)

What Controls Thermo-osmosis? Molecular Simulations Show the Critical Role of Interfacial Hydrodynamics

Science.gov (United States)

Fu, Li; Merabia, Samy; Joly, Laurent

2017-11-01

Thermo-osmotic and related thermophoretic phenomena can be found in many situations from biology to colloid science, but the underlying molecular mechanisms remain largely unexplored. Using molecular dynamics simulations, we measure the thermo-osmosis coefficient by both mechanocaloric and thermo-osmotic routes, for different solid-liquid interfacial energies. The simulations reveal, in particular, the crucial role of nanoscale interfacial hydrodynamics. For nonwetting surfaces, thermo-osmotic transport is largely amplified by hydrodynamic slip at the interface. For wetting surfaces, the position of the hydrodynamic shear plane plays a key role in determining the amplitude and sign of the thermo-osmosis coefficient. Finally, we measure a giant thermo-osmotic response of the water-graphene interface, which we relate to the very low interfacial friction displayed by this system. These results open new perspectives for the design of efficient functional interfaces for, e.g., waste-heat harvesting.

What Controls Thermo-osmosis? Molecular Simulations Show the Critical Role of Interfacial Hydrodynamics.

Science.gov (United States)

Fu, Li; Merabia, Samy; Joly, Laurent

2017-11-24

Thermo-osmotic and related thermophoretic phenomena can be found in many situations from biology to colloid science, but the underlying molecular mechanisms remain largely unexplored. Using molecular dynamics simulations, we measure the thermo-osmosis coefficient by both mechanocaloric and thermo-osmotic routes, for different solid-liquid interfacial energies. The simulations reveal, in particular, the crucial role of nanoscale interfacial hydrodynamics. For nonwetting surfaces, thermo-osmotic transport is largely amplified by hydrodynamic slip at the interface. For wetting surfaces, the position of the hydrodynamic shear plane plays a key role in determining the amplitude and sign of the thermo-osmosis coefficient. Finally, we measure a giant thermo-osmotic response of the water-graphene interface, which we relate to the very low interfacial friction displayed by this system. These results open new perspectives for the design of efficient functional interfaces for, e.g., waste-heat harvesting.

Confined methane-water interfacial layers and thickness measurements using in situ Raman spectroscopy.

Science.gov (United States)

Pinho, Bruno; Liu, Yukun; Rizkin, Benjamin; Hartman, Ryan L

2017-11-07

Gas-liquid interfaces broadly impact our planet, yet confined interfaces behave differently than unconfined ones. We report the role of tangential fluid motion in confined methane-water interfaces. The interfaces are created using microfluidics and investigated by in situ 1D, 2D and 3D Raman spectroscopy. The apparent CH 4 and H 2 O concentrations are reported for Reynolds numbers (Re), ranging from 0.17 to 8.55. Remarkably, the interfaces are comprised of distinct layers of thicknesses varying from 23 to 57 μm. We found that rarefaction, mixture, thin film, and shockwave layers together form the interfaces. The results indicate that the mixture layer thickness (δ) increases with Re (δ ∝ Re), and traditional transport theory for unconfined interfaces does not explain the confined interfaces. A comparison of our results with thin film theory of air-water interfaces (from mass transfer experiments in capillary microfluidics) supports that the hydrophobicity of CH 4 could decrease the strength of water-water interactions, resulting in larger interfacial thicknesses. Our findings help explain molecular transport in confined gas-liquid interfaces, which are common in a broad range of societal applications.

Volumetric vs Mass Velocity in Analyzing Convective-Diffusive Transport Processes in Liquids

Science.gov (United States)

Brenner, Howard

2000-11-01

Because mass rather than volume is preserved in fluid-mechanical problems involving density changes, a natural predilection exists for quantifying convective-diffusive transport phenomena in terms of a velocity field based upon mass, rather than volume. Indeed, in the classic BSL "Transport Phenomena" textbook, but a single reference exists even to the very concept of a volume velocity, and even then it is relegated to a homework assignment. However, especially when dealing with transport in fluids in which the mass density of the conserved property being transported (e.g., chemical species, internal energy, etc.) is independent of the prevailing pressure, as is largely true in the case of liquids, overwhelming advantages exist is preferring the volume velocity over the more ubiquitous and classical mass velocity. In a generalization of ideas pioneered by D. D. Joseph and co-workers, we outline the reasons for this volumetric velocity preference in a broad general context by identifying a large class of physical problems whose solutions are rendered more accessible by exploiting this unconventional velocity choice.

Membranes for nanometer-scale mass fast transport

Science.gov (United States)

Bakajin, Olgica [San Leandro, CA; Holt, Jason [Berkeley, CA; Noy, Aleksandr [Belmont, CA; Park, Hyung Gyu [Oakland, CA

2011-10-18

Nanoporous membranes comprising single walled, double walled, and multiwalled carbon nanotubes embedded in a matrix material were fabricated for fluid mechanics and mass transfer studies on the nanometer scale and commercial applications. Average pore size can be 2 nm to 20 nm, or seven nm or less, or two nanometers or less. The membrane can be free of large voids spanning the membrane such that transport of material such as gas or liquid occurs exclusively through the tubes. Fast fluid, vapor, and liquid transport are observed. Versatile micromachining methods can be used for membrane fabrication. A single chip can comprise multiple membranes. These membranes are a robust platform for the study of confined molecular transport, with applications in liquid and gas separations and chemical sensing including desalination, dialysis, and fabric formation.

Strain-Mediated Interfacial Dynamics during Au–PbS Core–Shell Nanostructure Formation

KAUST Repository

Niu, Kai-Yang; Liu, Miao; Persson, Kristin A.; Han, Yu; Zheng, Haimei

2016-01-01

An understanding of the hierarchical nanostructure formation is of significant importance for the design of advanced functional materials. Here, we report the in situ study of lead sulfide (PbS) growth on gold (Au) nanorod seeds using liquid cell transmission electron microscopy (TEM). By tracking the formation dynamics of Au-PbS core-shell nanoparticles, we found the preferential heterogeneous nucleation of PbS on the ends of a Au nanorod prior to the development of a complete PdS shell. During PbS shell growth, drastic sulfidation of Au nanorod was observed, leading to large volume shrinkage (up to 50%) of the initial Au nanorod seed. We also captured intriguing wavy interfacial behavior, which can be explained by our DFT calculation results that the local strain gradient at the core-shell interface facilitates the mass transport and mediates reversible phase transitions of Au ↔ Au2S during the PbS shell growth. © 2016 American Chemical Society.

Strain-Mediated Interfacial Dynamics during Au–PbS Core–Shell Nanostructure Formation

KAUST Repository

Niu, Kai-Yang

2016-05-23

An understanding of the hierarchical nanostructure formation is of significant importance for the design of advanced functional materials. Here, we report the in situ study of lead sulfide (PbS) growth on gold (Au) nanorod seeds using liquid cell transmission electron microscopy (TEM). By tracking the formation dynamics of Au-PbS core-shell nanoparticles, we found the preferential heterogeneous nucleation of PbS on the ends of a Au nanorod prior to the development of a complete PdS shell. During PbS shell growth, drastic sulfidation of Au nanorod was observed, leading to large volume shrinkage (up to 50%) of the initial Au nanorod seed. We also captured intriguing wavy interfacial behavior, which can be explained by our DFT calculation results that the local strain gradient at the core-shell interface facilitates the mass transport and mediates reversible phase transitions of Au ↔ Au2S during the PbS shell growth. © 2016 American Chemical Society.

Ion sampling and transport in Inductively Coupled Plasma Mass Spectrometry

Science.gov (United States)

Farnsworth, Paul B.; Spencer, Ross L.

2017-08-01

Quantitative accuracy and high sensitivity in inductively coupled plasma mass spectrometry (ICP-MS) depend on consistent and efficient extraction and transport of analyte ions from an inductively coupled plasma to a mass analyzer, where they are sorted and detected. In this review we examine the fundamental physical processes that control ion sampling and transport in ICP-MS and compare the results of theory and computerized models with experimental efforts to characterize the flow of ions through plasma mass spectrometers' vacuum interfaces. We trace the flow of ions from their generation in the plasma, into the sampling cone, through the supersonic expansion in the first vacuum stage, through the skimmer, and into the ion optics that deliver the ions to the mass analyzer. At each stage we consider idealized behavior and departures from ideal behavior that affect the performance of ICP-MS as an analytical tool.

Mass transfer processes and field-scale transport of organic solutes

International Nuclear Information System (INIS)

Brusseau, M.L.

1990-01-01

The influence of mass transfer processes, such as sorption/desorption and mass transfer between immiscible liquids and water, on the transport of organic solutes is discussed. Rate-limited sorption of organic solutes caused by a diffusion-constrained mechanism is shown to be significant under laboratory conditions. The significance of the impact of nonequilibrium sorption on field-scale transport is scale dependent. The impact of organic liquids on mass transfer and transport of organic solutes depends upon the nature of the solute and the nature and form of the organic liquid. For example, while retardation of nonionic solutes is decreased in mixed-solvent systems, (i.e. systems comprised of water and a miscible organic liquid or an immiscible liquid present in concentrations below phase separation), the retardation of organic acids may, in some cases, increase with addition of a cosolvent. While the presence of an immiscible liquid existing as a mobile phase will reduce retention of organic solutes, the presence of residual saturation of an immiscible liquid can significantly increase retention. A model is presented that incorporates the effects of retention resulting from residual saturation, as well as nonequilibrium sorption, on the transport of organic solutes. (Author) (70 refs., 3 figs.)

Understanding Interfacial Alignment in Solution Coated Conjugated Polymer Thin Films

International Nuclear Information System (INIS)

Qu, Ge; Zhao, Xikang; Newbloom, Gregory M.; Zhang, Fengjiao; Mohammadi, Erfan

2017-01-01

Domain alignment in conjugated polymer thin films can significantly enhance charge carrier mobility. However, the alignment mechanism during meniscus-guided solution coating remains unclear. Furthermore, interfacial alignment has been rarely studied despite its direct relevance and critical importance to charge transport. In this study, we uncover a significantly higher degree of alignment at the top interface of solution coated thin films, using a donor–acceptor conjugated polymer, poly(diketopyrrolopyrrole-co-thiopheneco- thieno[3,2-b]thiophene-co-thiophene) (DPP2T-TT), as the model system. At the molecular level, we observe in-plane π–π stacking anisotropy of up to 4.8 near the top interface with the polymer backbone aligned parallel to the coating direction. The bulk of the film is only weakly aligned with the backbone oriented transverse to coating. At the mesoscale, we observe a well-defined fibril-like morphology at the top interface with the fibril long axis pointing toward the coating direction. Significantly smaller fibrils with poor orientational order are found on the bottom interface, weakly aligned orthogonal to the fibrils on the top interface. The high degree of alignment at the top interface leads to a charge transport anisotropy of up to 5.4 compared to an anisotropy close to 1 on the bottom interface. We attribute the formation of distinct interfacial morphology to the skin-layer formation associated with high Peclet number, which promotes crystallization on the top interface while suppressing it in the bulk. As a result, we further infer that the interfacial fibril alignment is driven by the extensional flow on the top interface arisen from increasing solvent evaporation rate closer to the meniscus front.

Interfacial Friction and Adhesion of Polymer Brushes

KAUST Repository

Landherr, Lucas J. T.

2011-08-02

A bead-probe lateral force microscopy (LFM) technique is used to characterize the interfacial friction and adhesion properties of polymer brushes. Our measurements attempt to relate the physical structure and chemical characteristics of the brush to their properties as thin-film, tethered lubricants. Brushes are synthesized at several chain lengths and surface coverages from polymer chains of polydimethylsiloxane (PDMS), polystyrene (PS), and a poly(propylene glycol)-poly(ethylene glycol) block copolymer (PPG/PEG). At high surface coverage, PDMS brushes manifest friction coefficients (COFs) that are among the lowest recorded for a dry lubricant film (μ ≈ 0.0024) and close to 1 order of magnitude lower than the COF of a bare silicon surface. Brushes synthesized from higher molar mass chains exhibit higher friction forces than those created using lower molar mass polymers. Increased grafting density of chains in the brush significantly reduces the COF by creating a uniform surface of stretched chains with a decreased surface viscosity. Brushes with lower surface tension and interfacial shear stresses manifest the lowest COF. In particular, PDMS chains exhibit COFs lower than PS by a factor of 3.7 and lower than PPG/PEG by a factor of 4.7. A scaling analysis conducted on the surface coverage (δ) in relation to the fraction (ε) of the friction force developing from adhesion predicts a universal relation ε ∼ δ4/3, which is supported by our experimental data. © 2011 American Chemical Society.

Effects of Surface Treatment Processes of SiC Ceramic on Interfacial Bonding Property of SiC-AFRP

Directory of Open Access Journals (Sweden)

WEI Ru-bin

2016-12-01

Full Text Available To improve the interfacial bonding properties of SiC-aramid fiber reinforced polymer matrix composites (SiC-AFRP, the influences of etching process of SiC ceramic, coupling treatment process, and the adhesives types on the interfacial peel strength of SiC-AFRP were studied. The results show that the surface etching process and coupling treatment process of silicon carbide ceramic can effectively enhance interfacial bonding property of the SiC-AFRP. After soaked the ceramic in K3Fe(CN6 and KOH mixed etching solution for 2 hours, and coupled with vinyl triethoxy silane coupling agent, the interfacial peel strength of the SiC-AFRP significantly increases from 0.45kN/m to 2.20kN/m. EVA hot melt film with mass fraction of 15%VA is ideal for interface adhesive.

Interfacial forces in aqueous media

CERN Document Server

van Oss, Carel J

2006-01-01

Thoroughly revised and reorganized, the second edition of Interfacial Forces in Aqueous Media examines the role of polar interfacial and noncovalent interactions among biological and nonbiological macromolecules as well as biopolymers, particles, surfaces, cells, and both polar and apolar polymers. The book encompasses Lifshitz-van der Waals and electrical double layer interactions, as well as Lewis acid-base interactions between colloidal entities in polar liquids such as water. New in this Edition: Four previously unpublished chapters comprising a new section on interfacial propertie

Thermal transport across solid-solid interfaces enhanced by pre-interface isotope-phonon scattering

Science.gov (United States)

Lee, Eungkyu; Luo, Tengfei

2018-01-01

Thermal transport across solid interfaces can play critical roles in the thermal management of electronics. In this letter, we use non-equilibrium molecular dynamics simulations to investigate the isotope effect on the thermal transport across SiC/GaN interfaces. It is found that engineered isotopes (e.g., 10% 15N or 71Ga) in the GaN layer can increase the interfacial thermal conductance compared to the isotopically pure case by as much as 23%. Different isotope doping features, such as the isotope concentration, skin depth of the isotope region, and its distance from the interface, are investigated, and all of them lead to increases in thermal conductance. Studies of spectral temperatures of phonon modes indicate that interfacial thermal transport due to low-frequency phonons (transport. This work may provide insights into interfacial thermal transport and useful guidance to practical material design.

Mass transfer rate through liquid membranes: interfacial chemical reactions and diffusion as simultaneous permeability controlling factors

International Nuclear Information System (INIS)

Danesi, P.R.; Horwitz, E.P.; Vandegrift, G.F.; Chiarizia, R.

1981-01-01

Equations describing the permeability of a liquid membrane to metal cations have been derived taking into account aqueous diffusion, membrane diffusion, and interfacial chemical reactions as simultaneous permeability controlling factors. Diffusion and chemical reactions have been coupled by a simple model analogous to the one previously described by us to represent liquid-liquid extraction kinetics. The derived equations, which make use of experimentally determined interfacial reaction mechanisms, qualitatively fit unexplained literature data regarding Cu 2+ transfer through liquid membranes. Their use to predict and optimize membrane permeability in practical separation processes by setting the appropriate concentration of the membrane carrier [LIX 64 (General Mills), a commercial β-hydroxy-oxime] and the pH of the aqueous copper feed solution is briefly discussed. 4 figures

Satellite measurements of aerosol mass and transport

Energy Technology Data Exchange (ETDEWEB)

Fraser, R.S.; Kaufman, Y.J.; Mahoney, R.L.

1984-01-01

The aerosol optical thickness over land is derived from satellite measurements of the radiance of scattered sunlight. These data are used to estimate the columnar mass density of particulate sulfur on a day with a large amount of sulfur. The horizontal transport of the particulate sulfur is calculated using wing vectors measured with rawins. 33 references, 7 figures, 1 table.

Dentin-cement Interfacial Interaction

Science.gov (United States)

Atmeh, A.R.; Chong, E.Z.; Richard, G.; Festy, F.; Watson, T.F.

2012-01-01

The interfacial properties of a new calcium-silicate-based coronal restorative material (Biodentine™) and a glass-ionomer cement (GIC) with dentin have been studied by confocal laser scanning microscopy (CLSM), scanning electron microscopy (SEM), micro-Raman spectroscopy, and two-photon auto-fluorescence and second-harmonic-generation (SHG) imaging. Results indicate the formation of tag-like structures alongside an interfacial layer called the “mineral infiltration zone”, where the alkaline caustic effect of the calcium silicate cement’s hydration products degrades the collagenous component of the interfacial dentin. This degradation leads to the formation of a porous structure which facilitates the permeation of high concentrations of Ca2+, OH-, and CO32- ions, leading to increased mineralization in this region. Comparison of the dentin-restorative interfaces shows that there is a dentin-mineral infiltration with the Biodentine, whereas polyacrylic and tartaric acids and their salts characterize the penetration of the GIC. A new type of interfacial interaction, “the mineral infiltration zone”, is suggested for these calcium-silicate-based cements. PMID:22436906

Implementations of non-drag interfacial forces into the CUPID code

International Nuclear Information System (INIS)

Park, I.K.; Cho, H.K.; Kim, J.; Yoon, H.Y.; Jeong, J.J.

2009-01-01

A component-scale thermal-hydraulics analysis module, the CUPID code has been being developed for a transient three-dimensional two-phase flow analysis of nuclear reactor components. The CUPID is based on a two-fluid, three-field model, which is solved by using an unstructured finite volume method. In the two-fluid momentum equation, the most important term to be modeled is the interfacial surface force. The simplest way to model this force is to formulate as the linear combination of various known interfacial forces such as the standard drag force, the virtual mass force, the Basset force, the lift force, the wall lift force, and the turbulent dispersion force. The standard drag force and the virtual mass force, which is essential for two-fluid computational models, are already considered in the CUPID code. In this paper, the wall lubrication force, the lift force, and the turbulent dispersion force including turbulence models, which play an important role on a radial distribution of the void in a two-phase flow, were implemented into the CUPID code, and the effect of these forces were verified qualitatively. (author)

Surface and interfacial chemistry of high-k dielectric and interconnect materials on silicon

Science.gov (United States)

Kirsch, Paul Daniel

Surfaces and interfaces play a critical role in the manufacture and function of silicon based integrated circuits. It is therefore reasonable to study the chemistries at these surfaces and interfaces to improve existing processes and to develop new ones. Model barium strontium titanate high-k dielectric systems have been deposited on ultrathin silicon oxynitride in ultrahigh vacuum. The resulting nanostructures are characterized with secondary ion mass spectroscopy (SIMS) and X-ray photoelectron spectroscopy (XPS). An interfacial reaction between Ba and Sr atoms and SiOxNy was found to create silicates, BaSixOy or SrSi xOy. Inclusion of N in the interfacial oxide decreased silicate formation in both Ba and Sr systems. Furthermore, inclusion of N in the interfacial oxide decreased the penetration of Ba and Sr containing species, such as silicides and silicates. Sputter deposited HfO2 was studied on nitrided and unnitrided Si(100) surfaces. XPS and SIMS were used to verify the presence of interfacial HfSixOy and estimate its relative amount on both nitrided and unnitrided samples. More HfSixOy formed without the SiNx interfacial layer. These interfacial chemistry results are then used to explain the electrical measurements obtained from metal oxide semiconductor (MOS) capacitors. MOS capacitors with interfacial SiNx exhibit reduced leakage current and increased capacitance. Lastly, surface science techniques were used to develop a processing technique for reducing thin films of copper (II) and copper (I) oxide to copper. Deuterium atoms (D*) and methyl radicals (CH3*) were shown to reduce Cu 2+ and/or Cu1+ to Cu0 within 30 min at a surface temperature of 400 K under a flux of 1 x 1015 atoms/cm2s. Temperature programmed desorption experiments suggest that oxygen leaves the surface as D2O and CO2 for the D* and CH3* treated surfaces, respectively.

Crystalline Molybdenum Oxide Thin-Films for Application as Interfacial Layers in Optoelectronic Devices

DEFF Research Database (Denmark)

Fernandes Cauduro, André Luis; dos Reis, Roberto; Chen, Gong

2017-01-01

The ability to control the interfacial properties in metal-oxide thin films through surface defect engineering is vital to fine-tune their optoelectronic properties and thus their integration in novel optoelectronic devices. This is exemplified in photovoltaic devices based on organic, inorganic...... or hybrid technologies, where precise control of the charge transport properties through the interfacial layer is highly important for improving device performance. In this work, we study the effects of in situ annealing in nearly stoichiometric MoOx (x ∼ 3.0) thin-films deposited by reactive sputtering. We...... with structural characterizations, this work addresses a novel method for tuning, and correlating, the optoelectronic properties and microstructure of device-relevant MoOx layers....

Mass transport in propagating patterns of convection

International Nuclear Information System (INIS)

Moses, E.; Steinberg, V.

1988-01-01

Recent studies of propagating waves in an oscillatory convection of binary mixtures arise questions about transport properties of this flow. Optical visualization of a field of refraction index due to a shadowgraph technique gives information on the temperature and concentration fields. However, experimental observation of rolls propagating along the cell as travelling waves (TW) does not necessarily imply that mass is transferred hydrodynamically by the convective motion along the cell. One of the possibilities discussed, e.g., is that TW observed is only a phase propagation. The traditional examples of such situations come from the domain of linear, superposition-oriented physics. Acoustic waves transfer momentum and energy, but do not cause the mass to make excursions for their equilibrium point that are larger than the oscillation amplitude. In the case of nonlinear physics we were aware that small amplitude surface waves cause only small oscillatory motion round the equilibrium point, while larger amplitudes can cause the mass to start moving in the direction of the TW. This paper discussed the different possibilities of mass transfer by TW. 27 refs., 20 figs

Manipulation and control of the interfacial polarization in organic light-emitting diodes by dipolar doping

Directory of Open Access Journals (Sweden)

Lars Jäger

2016-09-01

Full Text Available Most of the commonly used electron transporting materials in organic light-emitting diodes exhibit interfacial polarization resulting from partially aligned permanent dipole moments of the molecules. This property modifies the internal electric field distribution of the device and therefore enables an earlier flat band condition for the hole transporting side, leading to improved charge carrier injection. Recently, this phenomenon was studied with regard to different materials and degradation effects, however, so far the influence of dilution has not been investigated. In this paper we focus on dipolar doping of the hole transporting material 4,4-bis[N-(1-naphthyl-N-phenylamino]-biphenyl (NPB with the polar electron transporting material tris-(8-hydroxyquinolate aluminum (Alq3. Impedance spectroscopy reveals that changes of the hole injection voltage do not scale in a simple linear fashion with the effective thickness of the doped layer. In fact, the measured interfacial polarization reaches a maximum value for a 1:1 blend. Taking the permanent dipole moment of Alq3 into account, an increasing degree of dipole alignment is found for decreasing Alq3 concentration. This observation can be explained by the competition between dipole-dipole interactions leading to dimerization and the driving force for vertical orientation of Alq3 dipoles at the surface of the NPB layer.

Manipulation and control of the interfacial polarization in organic light-emitting diodes by dipolar doping

Science.gov (United States)

Jäger, Lars; Schmidt, Tobias D.; Brütting, Wolfgang

2016-09-01

Most of the commonly used electron transporting materials in organic light-emitting diodes exhibit interfacial polarization resulting from partially aligned permanent dipole moments of the molecules. This property modifies the internal electric field distribution of the device and therefore enables an earlier flat band condition for the hole transporting side, leading to improved charge carrier injection. Recently, this phenomenon was studied with regard to different materials and degradation effects, however, so far the influence of dilution has not been investigated. In this paper we focus on dipolar doping of the hole transporting material 4,4-bis[N-(1-naphthyl)-N-phenylamino]-biphenyl (NPB) with the polar electron transporting material tris-(8-hydroxyquinolate) aluminum (Alq3). Impedance spectroscopy reveals that changes of the hole injection voltage do not scale in a simple linear fashion with the effective thickness of the doped layer. In fact, the measured interfacial polarization reaches a maximum value for a 1:1 blend. Taking the permanent dipole moment of Alq3 into account, an increasing degree of dipole alignment is found for decreasing Alq3 concentration. This observation can be explained by the competition between dipole-dipole interactions leading to dimerization and the driving force for vertical orientation of Alq3 dipoles at the surface of the NPB layer.

Single-Molecule Interfacial Electron Transfer

Energy Technology Data Exchange (ETDEWEB)

Lu, H. Peter [Bowling Green State Univ., Bowling Green, OH (United States). Dept. of Chemistry and Center for Photochemical Sciences

2017-11-28

This project is focused on the use of single-molecule high spatial and temporal resolved techniques to study molecular dynamics in condensed phase and at interfaces, especially, the complex reaction dynamics associated with electron and energy transfer rate processes. The complexity and inhomogeneity of the interfacial ET dynamics often present a major challenge for a molecular level comprehension of the intrinsically complex systems, which calls for both higher spatial and temporal resolutions at ultimate single-molecule and single-particle sensitivities. Combined single-molecule spectroscopy and electrochemical atomic force microscopy approaches are unique for heterogeneous and complex interfacial electron transfer systems because the static and dynamic inhomogeneities can be identified and characterized by studying one molecule at a specific nanoscale surface site at a time. The goal of our project is to integrate and apply these spectroscopic imaging and topographic scanning techniques to measure the energy flow and electron flow between molecules and substrate surfaces as a function of surface site geometry and molecular structure. We have been primarily focusing on studying interfacial electron transfer under ambient condition and electrolyte solution involving both single crystal and colloidal TiO₂ and related substrates. The resulting molecular level understanding of the fundamental interfacial electron transfer processes will be important for developing efficient light harvesting systems and broadly applicable to problems in fundamental chemistry and physics. We have made significant advancement on deciphering the underlying mechanism of the complex and inhomogeneous interfacial electron transfer dynamics in dyesensitized TiO₂ nanoparticle systems that strongly involves with and regulated by molecule-surface interactions. We have studied interfacial electron transfer on TiO₂ nanoparticle surfaces by using ultrafast single

Momentum, heat, and mass transfer analogy for vertical hydraulic transport of inert particles

Directory of Open Access Journals (Sweden)

Jaćimovski Darko R.

2014-01-01

Full Text Available Wall-to-bed momentum, heat and mass transfer in vertical liquid-solids flow, as well as in single phase flow, were studied. The aim of this investigation was to establish the analogy among those phenomena. Also, effect of particles concentration on momentum, heat and mass transfer was studied. The experiments in hydraulic transport were performed in a 25.4 mm I.D. cooper tube equipped with a steam jacket, using spherical glass particles of 1.94 mm in diameter and water as a transport fluid. The segment of the transport tube used for mass transfer measurements was inside coated with benzoic acid. In the hydraulic transport two characteristic flow regimes were observed: turbulent and parallel particle flow regime. The transition between two characteristic regimes (γ*=0, occurs at a critical voidage ε≈0.85. The vertical two-phase flow was considered as the pseudofluid, and modified mixture-wall friction coefficient (fw and modified mixture Reynolds number (Rem were introduced for explanation of this system. Experimental data show that the wall-to-bed momentum, heat and mass transfer coefficients, in vertical flow of pseudofluid, for the turbulent regime are significantly higher than in parallel regime. Wall-to-bed, mass and heat transfer coefficients in hydraulic transport of particles were much higher then in single-phase flow for lower Reynolds numbers (Re15000, there was not significant difference. The experimental data for wall-to-bed momentum, heat and mass transfer in vertical flow of pseudofluid in parallel particle flow regime, show existing analogy among these three phenomena. [Projekat Ministarstva nauke Republike Srbije, br. 172022

SITE-94. CAMEO: A model of mass-transport limited general corrosion of copper canisters

International Nuclear Information System (INIS)

Worgan, K.J.; Apted, M.J.

1996-12-01

This report describes the technical basis for the CAMEO code, which models the general, uniform corrosion of a copper canister either by transport of corrodants to the canister, or by transport of corrosion products away from the canister. According to the current Swedish concept for final disposal of spent nuclear fuels, extremely long containment times are achieved by thick (60-100 mm) copper canisters. Each canister is surrounded by a compacted bentonite buffer, located in a saturated, crystalline rock at a depth of around 500 m below ground level. Three diffusive transport-limited cases are identified for general, uniform corrosion of copper: General corrosion rate-limited by diffusive mass-transport of sulphide to the canister surface under reducing conditions; General corrosion rate-limited by diffusive mass-transport of oxygen to the canister surface under mildly oxidizing conditions; General corrosion rate-limited by diffusive mass-transport of copper chloride away from the canister surface under highly oxidizing conditions. The CAMEO code includes general corrosion models for each of the above three processes. CAMEO is based on the well-tested CALIBRE code previously developed as a finite-difference, mass-transfer analysis code for the SKI to evaluate long-term radionuclide release and transport in the near-field. A series of scoping calculations for the general, uniform corrosion of a reference copper canister are presented

Interfacial and Surface Science | Materials Science | NREL

Science.gov (United States)

Science group within the Material Science Center. He oversees research studies of surfaces and interfaces Interfacial and Surface Science Interfacial and Surface Science Image of irregular-outlined, light address a broad range of fundamental and applied issues in surface and interfacial science that are

Selected Topics on Mass Transport in Gas-solid Interactions

DEFF Research Database (Denmark)

Somers, Marcel A.J.

2004-01-01

The present article is a short review containing examples of the role of mass transport in the solid state during gas-solid interactions. Examples are taken from the authors' research on the interaction of carbon and/or nitrogen with iron-based metals. Topics dealt with are diffusion-controlled d......The present article is a short review containing examples of the role of mass transport in the solid state during gas-solid interactions. Examples are taken from the authors' research on the interaction of carbon and/or nitrogen with iron-based metals. Topics dealt with are diffusion...... on the kinetics of phenomena in the solid state. Various experimental techniques were applied to investigate these phenomena; it is however beyond the scope of the present article to treat experimental conditions in detail. The interested reader is referred to the original work for in depth discussions...

Coolant Chemistry Control: Oxygen Mass Transport in Lead Bismuth Eutectic

International Nuclear Information System (INIS)

Weisenburger, A.; Mueller, G.; Bruzzese, C.; Glass, A.

2015-01-01

In lead-bismuth cooled transmutation systems, oxygen, dissolved in the coolant at defined quantities, is required for stable long-term operation by assuring the formation of protective oxide scales on structural steel surfaces. Extracted oxygen must be permanently delivered to the system and distributed in the entire core. Therefore, coolant chemistry control involves detailed knowledge on oxygen mass transport. Beside the different flow regimes a core might have stagnant areas at which oxygen delivery can only be realised by diffusion. The difference between oxygen transport in flow paths and in stagnant zones is one of the targets of such experiments. To investigate oxygen mass transport in flowing and stagnant conditions, a dedicated facility was designed based on computational fluid dynamics (CFD). CFD also was applied to define the position of oxygen sensors and ultrasonic Doppler velocimetry transducers for flow measurements. This contribution will present the test facility, design relevant CFD calculations and results of first tests performed. (authors)

Amplified CPEs enhancement of chorioamnion membrane mass transport by encapsulation in nano-sized PLGA particles.

Science.gov (United States)

Azagury, Aharon; Amar-Lewis, Eliz; Appel, Reut; Hallak, Mordechai; Kost, Joseph

2017-08-01

Chemical penetration enhancers (CPEs) have long been used for mass transport enhancement across membranes. Many CPEs are used in a solution or gel and could be a solvent. The use of CPEs is mainly limited due to their toxicity/irritation levels. This study presents the evaluation of encapsulated CPEs in nano-sized polymeric particles on the chorioamnion (CA) membrane mass transport. CPEs' mass encapsulated in nanoparticles was decreased by 10,000-fold. Interestingly, this approach resulted in a 6-fold increase in mass transport across the CA. This approach may also be used with other CPEs' base applications necessitating lower CPE concentration. Applying Ultrasound (US) has shown to increase the release rate of and also the mass transport across the CA membrane. It is proposed that encapsulated CPEs penetrate into the CA membrane thus prolonging their exposure, possibly extending their penetration into the CA membrane, while insonation also deepens their penetration into the CA membrane. Copyright © 2017 Elsevier B.V. All rights reserved.

Interfacial instabilities in vibrated fluids

Science.gov (United States)

Porter, Jeff; Laverón-Simavilla, Ana; Tinao Perez-Miravete, Ignacio; Fernandez Fraile, Jose Javier

2016-07-01

Vibrations induce a range of different interfacial phenomena in fluid systems depending on the frequency and orientation of the forcing. With gravity, (large) interfaces are approximately flat and there is a qualitative difference between vertical and horizontal forcing. Sufficient vertical forcing produces subharmonic standing waves (Faraday waves) that extend over the whole interface. Horizontal forcing can excite both localized and extended interfacial phenomena. The vibrating solid boundaries act as wavemakers to excite traveling waves (or sloshing modes at low frequencies) but they also drive evanescent bulk modes whose oscillatory pressure gradient can parametrically excite subharmonic surface waves like cross-waves. Depending on the magnitude of the damping and the aspect ratio of the container, these locally generated surfaces waves may interact in the interior resulting in temporal modulation and other complex dynamics. In the case where the interface separates two fluids of different density in, for example, a rectangular container, the mass transfer due to vertical motion near the endwalls requires a counterflow in the interior region that can lead to a Kelvin-Helmholtz type instability and a ``frozen wave" pattern. In microgravity, the dominance of surface forces favors non-flat equilibrium configurations and the distinction between vertical and horizontal applied forcing can be lost. Hysteresis and multiplicity of solutions are more common, especially in non-wetting systems where disconnected (partial) volumes of fluid can be established. Furthermore, the vibrational field contributes a dynamic pressure term that competes with surface tension to select the (time averaged) shape of the surface. These new (quasi-static) surface configurations, known as vibroequilibria, can differ substantially from the hydrostatic state. There is a tendency for the interface to orient perpendicular to the vibrational axis and, in some cases, a bulge or cavity is induced

Unravelling surface and interfacial structures of a metal-organic framework by transmission electron microscopy.

Science.gov (United States)

Zhu, Yihan; Ciston, Jim; Zheng, Bin; Miao, Xiaohe; Czarnik, Cory; Pan, Yichang; Sougrat, Rachid; Lai, Zhiping; Hsiung, Chia-En; Yao, Kexin; Pinnau, Ingo; Pan, Ming; Han, Yu

2017-05-01

Metal-organic frameworks (MOFs) are crystalline porous materials with designable topology, porosity and functionality, having promising applications in gas storage and separation, ion conduction and catalysis. It is challenging to observe MOFs with transmission electron microscopy (TEM) due to the extreme instability of MOFs upon electron beam irradiation. Here, we use a direct-detection electron-counting camera to acquire TEM images of the MOF ZIF-8 with an ultralow dose of 4.1 electrons per square ångström to retain the structural integrity. The obtained image involves structural information transferred up to 2.1 Å, allowing the resolution of individual atomic columns of Zn and organic linkers in the framework. Furthermore, TEM reveals important local structural features of ZIF-8 crystals that cannot be identified by diffraction techniques, including armchair-type surface terminations and coherent interfaces between assembled crystals. These observations allow us to understand how ZIF-8 crystals self-assemble and the subsequent influence of interfacial cavities on mass transport of guest molecules.

Interfacial spin-orbit splitting and current-driven spin torque in anisotropic tunnel junctions

KAUST Repository

Manchon, Aurelien

2011-05-17

Spin transport in magnetic tunnel junctions comprising a single magnetic layer in the presence of interfacial spin-orbit interaction (SOI) is investigated theoretically. Due to the presence of interfacial SOI, a current-driven spin torque can be generated at the second order in SOI, even in the absence of an external spin polarizer. This torque possesses two components, one in plane and one perpendicular to the plane of rotation, that can induce either current-driven magnetization switching from an in-plane to out-of-plane configuration or magnetization precessions, similar to spin transfer torque in spin valves. Consequently, it appears that it is possible to control the magnetization steady state and dynamics by either varying the bias voltage or electrically modifying the SOI at the interface.

The effects of interfacial recombination and injection barrier on the electrical characteristics of perovskite solar cells

Directory of Open Access Journals (Sweden)

Lin Xing Shi

2018-02-01

Full Text Available Charge carrier recombination in the perovskite solar cells (PSCs has a deep influence on the electrical performance, such as open circuit voltage, short circuit current, fill factor and ultimately power conversion efficiency. The impacts of injection barrier, recombination channels, doping properties of carrier transport layers and light intensity on the performance of PSCs are theoretically investigated by drift-diffusion model in this work. The results indicate that due to the injection barrier at the interfaces of perovskite and carrier transport layer, the accumulated carriers modify the electric field distribution throughout the PSCs. Thus, a zero electric field is generated at a specific applied voltage, with greatly increases the interfacial recombination, resulting in a local kink of current density-voltage (J-V curve. This work provides an effective strategy to improve the efficiency of PSCs by pertinently reducing both the injection barrier and interfacial recombination.

Interfacial scattering effect on anisotropic magnetoresistance and anomalous Hall effect in Ta/Fe multilayers

KAUST Repository

Zhang, Qiang

2017-12-26

The effect of interfacial scattering on anisotropic magnetoresistance (AMR) and anomalous Hall effect (AHE) was studied in the (Ta12n/Fe36n)n multilayers, where the numbers give the thickness in nanometer and n is an integer from 1 to 12. The multilayer structure has been confirmed by the XRR spectra and STEM images of cross-sections. The magneto-transport properties were measured by four-point probe method in Hall bar shaped samples in the temperature range of 5 - 300 K. The AMR increases with n, which could be ascribed to the interfacial spin-orbit scattering. At 5 K, the longitudinal resistivity (ρ) increases by 6.4 times and the anomalous Hall resistivity (ρ) increases by 49.4 times from n =1 to n =12, indicative of the interfacial scattering effect. The skew-scattering, side-jump and intrinsic contributions to the AHE were separated successfully. As n increases from 1 to 12, the intrinsic contribution decreases because of the decaying crystallinity or finite size effect and the intrinsic contribution dominated the AHE for all samples. The side jump changes from negative to positive because the interfacial scattering and intralayer scattering in Fe layers both contribute to side jump in the AHE but with opposite sign.

Generalized transport model for phase transition with memory

International Nuclear Information System (INIS)

Chen, Chi; Ciucci, Francesco

2013-01-01

A general model for phenomenological transport in phase transition is derived, which extends Jäckle and Frisch model of phase transition with memory and the Cahn–Hilliard model. In addition to including interfacial energy to account for the presence of interfaces, we introduce viscosity and relaxation contributions, which result from incorporating memory effect into the driving potential. Our simulation results show that even without interfacial energy term, the viscous term can lead to transient diffuse interfaces. From the phase transition induced hysteresis, we discover different energy dissipation mechanism for the interfacial energy and the viscosity effect. In addition, by combining viscosity and interfacial energy, we find that if the former dominates, then the concentration difference across the phase boundary is reduced; conversely, if the interfacial energy is greater then this difference is enlarged.

Stability of interfacial waves in two-phase flows

Energy Technology Data Exchange (ETDEWEB)

Liu, W S [Ontario Hydro, Toronto, ON (Canada)

1996-12-31

The influence of the interfacial pressure and the flow distribution in the one-dimensional two-fluid model on the stability problems of interfacial waves is discussed. With a proper formulation of the interfacial pressure, the following two-phase phenomena can be predicted from the stability and stationary criteria of the interfacial waves: onset of slug flow, stationary hydraulic jump in a stratified flow, flooding in a vertical pipe, and the critical void fraction of a bubbly flow. It can be concluded that the interfacial pressure plays an important role in the interfacial wave propagation of the two-fluid model. The flow distribution parameter may enhance the flow stability range, but only plays a minor role in the two-phase characteristics. (author). 20 refs., 3 tabs., 4 figs.

Experimental density, viscosity, interfacial tension and water solubility of ethyl benzene-α-methyl benzyl alcohol–water system

International Nuclear Information System (INIS)

Barega, Esayas W.; Zondervan, Edwin; Haan, André B. de

2013-01-01

Highlights: • Properties were measured for MBA (methyl benzyl alcohol)-EB (ethyl benzene)-water. • MBA concentration was found to influence all the properties strongly. • The water solubility, density, and viscosity increased at high MBA concentration. • The interfacial tension decreased sharply at high MBA concentration. • MBA dictates the phase separation and mass transfer of the ternary system. -- Abstract: Density, viscosity, interfacial tension, and water solubility were measured for the (α-methyl benzyl alcohol (MBA) + Ethyl benzene (EB)) system at different concentrations of MBA in contact with water and sodium hydroxide solution (0.01 mol · kg −1 ) as aqueous phases. The properties were measured to identify the component which plays a governing role in changing the physical properties relevant to mass transfer and phase separation of the ternary system. The concentration of MBA was found to be the major factor influencing all the properties. The water solubility, the density, and the viscosity increased notably at higher concentrations of MBA; while, the interfacial tension decreased strongly. The use of 0.01 mol · kg −1 NaOH as an aqueous phase resulted in a decrease of the interfacial tension and a minor decrease in the water solubility. The density data were correlated using a quadratic mixing rule to describe the influence of concentration at any temperature. The viscosity data are correlated using the Nissan and Grunberg and Katti-Chaudhri equations. The Szyzkowski’s equation was used to correlate the interfacial tension data. The water solubility data were described using an exponential relationship. All the correlations described the experimental physical property data adequately

On the use of mass-conserving wind fields in chemistry-transport models

Directory of Open Access Journals (Sweden)

B. Bregman

2003-01-01

Full Text Available A new method has been developed that provides mass-conserving wind fields for global chemistry-transport models. In previous global Eulerian modeling studies a mass-imbalance was found between the model mass transport and the surface pressure tendencies. Several methods have been suggested to correct for this imbalance, but so far no satisfactory solution has been found. Our new method solves these problems by using the wind fields in a spherical harmonical form (divergence and vorticity by mimicing the physics of the weather forecast model as closely as possible. A 3-D chemistry-transport model was used to show that the calculated ozone fields with the new processing method agree remarkably better with ozone observations in the upper troposphere and lower stratosphere. In addition, the calculated age of air in the lower stratosphere show better agreement with observations, although the air remains still too young in the extra-tropical stratosphere.

Study on flow and mass transport through fractured sedimentary rocks (2)

International Nuclear Information System (INIS)

Shimo, Michito; Kumamoto, Sou; Karasaki, Kenzi; Sato, Hisashi; Sawada, Atsushi

2009-03-01

It is important for safety assessment of HLW geological disposal to understand hydro-geological conditions at the investigation area, and to evaluate groundwater flow and mass transport model and parameters, at each investigation phase. Traditionally, for Neogene sedimentary rock, the grain spacing of sediments has been considered as the dominant migration path. However, fractures of sedimentary rock could act as dominant paths, although they were soft sedimentary rocks. In this study, as part of developing groundwater flow and mass transport evaluation methodologies of such a fractured sedimentary rock' distributed area, we conducted two different scale of studies; 1) core rock sample scale and 2) several kilometer scale. For the core rock sample scale, some of laboratory hydraulic and tracer experiments have conducted using the rock cores with tailored parallel fracture, obtained at pilot borehole drilled in the vicinity of ventilation shaft. From the test results, hydraulic conductivity, diffusion coefficient, transport aperture, dispersion length and etc. was evaluated. Based on these test results, the influence of these parameters onto mass transport behavior of fractures sedimentary rocks was examined. For larger scale, such as several kilometer scale, the regional scale groundwater flow was examined using temperature data observed along the boreholes at Horonobe site. The results show that the low permeable zone between the boreholes might be estimated. (author)

Atomistic simulations of bulk, surface and interfacial polymer properties

Science.gov (United States)

Natarajan, Upendra

In chapter I, quasi-static molecular mechanics based simulations are used to estimate the activation energy of phenoxy rings flips in the amorphous region of a semicrystalline polyimide. Intra and intermolecular contributions to the flip activation energy, the torsional cooperativity accompanying the flip, and the effect of the flip on the motion in the glassy bulk state, are looked at. Also, comparison of the weighted mean activation energy is made with experimental data from solid state NMR measurements; the simulated value being 17.5 kcal/mol., while the experimental value was observed to be 10.5 kcal/mol. Chapter II deals with construction of random copolymer thin films of styrene-butadiene (SB) and styrene-butadiene-acrylonitrile (SBA). The structure and properties of the free surfaces presented by these thin films are analysed by, the atom mass density profiles, backbone bond orientation function, and the spatial distribution of acrylonitrile groups and styrene rings. The surface energies of SB and SBA are calculated using an atomistic equation and are compared with experimental data in the literature. In chapter III, simulations of polymer-polymer interfaces between like and unlike polymers, specifically cis-polybutadiene (PBD) and atatic polypropylene (PP), are presented. The structure of an incompatible polymer-polymer interface, and the estimation of the thermodynamic work of adhesion and interfacial energy between different incompatible polymers, form the focus here. The work of adhesion is calculated using an atomistic equation and is further used in a macroscopic equation to estimate the interfacial energy. The interfacial energy is compared with typical values for other immiscible systems in the literature. The interfacial energy compared very well with interfacial energy values for a few other immiscible hydrocarbon pairs. In chapter IV, the study proceeds to look at the interactions between nonpolar and polar small molecules with SB and SBA thin

The Interfacial Transition Zone in Alkali-Activated Slag Mortars

Directory of Open Access Journals (Sweden)

Rackel eSan Nicolas

2015-12-01

Full Text Available The interfacial transition zone (ITZ is known to strongly influence the mechanical and transport properties of mortars and concretes. This paper studies the ITZ between siliceous (quartz aggregates and alkali activated slag binders in the context of mortar specimens. Backscattered electron images (BSE generated in an environmental scanning electron microscope (ESEM are used to identify unreacted binder components, reaction products and porosity in the zone surrounding aggregate particles, by composition and density contrast. X-ray mapping is used to exclude the regions corresponding to the aggregates from the BSE image of the ITZ, thus enabling analysis of only the binder phases, which are segmented into binary images by grey level discrimination. A distinct yet dense ITZ region is present in the alkali-activated slag mortars, containing a reduced content of unreacted slag particles compared to the bulk binder. The elemental analysis of this region shows that it contains a (C,N-A-S-H gel which seems to have a higher content of Na (potentially deposited through desiccation of the pore solution and a lower content of Ca than the bulk inner and outer products forming in the main binding region. These differences are potentially important in terms of long-term concrete performance, as the absence of a highly porous interfacial transition zone region is expected to provide a positive influence on the mechanical and transport properties of alkali-activated slag concretes.

Interfacial Engineering and Charge Carrier Dynamics in Extremely Thin Absorber Solar Cells

Science.gov (United States)

Edley, Michael

Photovoltaic energy is a clean and renewable source of electricity; however, it faces resistance to widespread use due to cost. Nanostructuring decouples constraints related to light absorption and charge separation, potentially reducing cost by allowing a wider variety of processing techniques and materials to be used. However, the large interfacial areas also cause an increased dark current which negatively affects cell efficiency. This work focuses on extremely thin absorber (ETA) solar cells that used a ZnO nanowire array as a scaffold for an extremely thin CdSe absorber layer. Photoexcited electrons generated in the CdSe absorber are transferred to the ZnO layer, while photogenerated holes are transferred to the liquid electrolyte. The transfer of photoexcited carriers to their transport layer competes with bulk recombination in the absorber layer. After charge separation, transport of charge carriers to their respective contacts must occur faster than interfacial recombination for efficient collection. Charge separation and collection depend sensitively on the dimensions of the materials as well as their interfaces. We demonstrated that an optimal absorber thickness can balance light absorption and charge separation. By treating the ZnO/CdSe interface with a CdS buffer layer, we were able to improve the Voc and fill factor, increasing the ETA cell's efficiency from 0.53% to 1.34%, which is higher than that achievable using planar films of the same material. We have gained additional insight into designing ETA cells through the use of dynamic measurements. Ultrafast transient absorption spectroscopy revealed that characteristic times for electron injection from CdSe to ZnO are less than 1 ps. Electron injection is rapid compared to the 2 ns bulk lifetime in CdSe. Optoelectronic measurements such as transient photocurrent/photovoltage and electrochemical impedance spectroscopy were applied to study the processes of charge transport and interfacial recombination

Interfacial Instabilities in Evaporating Drops

Science.gov (United States)

Moffat, Ross; Sefiane, Khellil; Matar, Omar

2007-11-01

We study the effect of substrate thermal properties on the evaporation of sessile drops of various liquids. An infra-red imaging technique was used to record the interfacial temperature. This technique illustrates the non-uniformity in interfacial temperature distribution that characterises the evaporation process. Our results also demonstrate that the evaporation of methanol droplets is accompanied by the formation of wave-trains in the interfacial temperature field; similar patterns, however, were not observed in the case of water droplets. More complex patterns are observed for FC-72 refrigerant drops. The effect of substrate thermal conductivity on the structure of the complex pattern formation is also elucidated.

Effect of Atmospheric Ions on Interfacial Water

Directory of Open Access Journals (Sweden)

Chien-Chang Kurt Kung

2014-11-01

Full Text Available The effect of atmospheric positivity on the electrical properties of interfacial water was explored. Interfacial, or exclusion zone (EZ water was created in the standard way, next to a sheet of Nafion placed horizontally at the bottom of a water-filled chamber. Positive atmospheric ions were created from a high voltage source placed above the chamber. Electrical potential distribution in the interfacial water was measured using microelectrodes. We found that beyond a threshold, the positive ions diminished the magnitude of the negative electrical potential in the interfacial water, sometimes even turning it to positive. Additionally, positive ions produced by an air conditioner were observed to generate similar effects; i.e., the electrical potential shifted in the positive direction but returned to negative when the air conditioner stopped blowing. Sometimes, the effect of the positive ions from the air conditioner was strong enough to destroy the structure of interfacial water by turning the potential decidedly positive. Thus, positive air ions can compromise interfacial water negativity and may explain the known negative impact of positive ions on health.

Mass transport by groundwater

International Nuclear Information System (INIS)

Ledoux, E.; Goblet, P.; Jamet, Ph.; De Marsily, G.; Des Orres, P.E.; Lewi, J.

1991-01-01

The first analyses of the safety of radioactive waste disposal published in 1970s were mostly of a generic type using the models of radionuclide migration in the geosphere. These simply constructed models gave way to more sophisticated techniques in order to represent better the complexity and diversity of geological media. In this article, it is attempted to review the various concepts used to quantify radionuclide migration and the evolution of their incorporation into the models. First, it was examined how the type of discontinuity occurring in geological media affects the choice of a representative model. The principle of transport in the subsurface was reviewed, and the effect that coupled processes exert to groundwater flow and mass migration was discussed. The processes that act directly to cause groundwater flow were distinguished. The method of validating such models by comparing the results with the geochemical systems in nature was explained. (K.I.)

Thermo-fluidic devices and materials inspired from mass and energy transport phenomena in biological system

Institute of Scientific and Technical Information of China (English)

Jian XIAO; Jing LIU

2009-01-01

Mass and energy transport consists of one of the most significant physiological processes in nature, which guarantees many amazing biological phenomena and activ-ities. Borrowing such idea, many state-of-the-art thermo-fluidic devices and materials such as artificial kidneys, carrier erythrocyte, blood substitutes and so on have been successfully invented. Besides, new emerging technologies are still being developed. This paper is dedicated to present-ing a relatively complete review of the typical devices and materials in clinical use inspired by biological mass and energy transport mechanisms. Particularly, these artificial thermo-fluidic devices and materials will be categorized into organ transplantation, drug delivery, nutrient transport, micro operation, and power supply. Potential approaches for innovating conventional technologies were discussed, corresponding biological phenomena and physical mechan-isms were interpreted, future promising mass-and-energy-transport-based bionic devices were suggested, and prospects along this direction were pointed out. It is expected that many artificial devices based on biological mass and energy transport principle will appear to better improve vari-ous fields related to human life in the near future.

The phase transport and reactions of γ-irradiated aqueous-ionic liquids

International Nuclear Information System (INIS)

Howett, S.; Joseph, J.; Noel, J.J.; Wren, J.C.

2010-01-01

A novel technology based on the transfer of chemical species across water/ionic liquid interfaces via specific complexation reactions is currently being considered for the separation and sequestration of metal ion contaminants from radioactive waste effluents in the nuclear fuel cycle. An ideal solvent for these applications should have a high intrinsic selectivity for a targeted metal or group of metals (e.g., trans-Pu actinides, lanthanides, or other fission products), an efficient switching mechanism (between complexation and decomplexation), and a high immiscibility with aqueous solutions. These characteristics must be maintained in the chemical, radiation, and mass transport environments present during the separation process. Ionic liquids (ILs) have an almost negligible vapour pressure and high thermal stability. Their ability to dissolve a wide range of substrate molecules and potential to be highly resilient in radiation fields make ILs particularly promising media. The separation efficiency of the biphasic system will depend on many parameters, including the aqueous oxidation state of the targeted metal ion, and the thermodynamics and kinetics of interfacial transport and metal-ligand complex formation at the water/IL interface or in the IL phase. The most uncertain and unstudied area for these applications is the effect of ionizing radiation on the stability and separation efficiency of the biphasic system. The present study investigates the effect of γ-radiation on gas/IL and water/IL interfacial stability and mass transfer with trihexyltetradecylphosphonium bis(trifluoromethyl-sulfonyl)imide, a phosphonium-based IL. The IL, in contact with either gas or water, was irradiated at a dose rate of 6.4 kGy·h -1 . Gas-phase samples were analyzed by gas chromatography-mass spectrometry (GC-MS) and the changes in the IL and aqueous phases were monitored by conductivity measurements and Raman spectroscopy. In this paper we discuss these observations and their

Required momentum, heat, and mass transport experiments for liquid-metal blankets

International Nuclear Information System (INIS)

Tillack, M.S.; Sze, D.K.; Abdou, M.A.

1986-01-01

Through the effects on fluid flow, many aspects of blanket behavior are affected by magnetohydrodynamic (MHD) effects, including pressure drop, heat transfer, mass transfer, and structural behavior. In this paper, a set of experiments is examined that could be performed in order to reduce the uncertainties in the highly related set of issues dealing with momentum, heat, and mass transport under the influence of a strong magnetic field (i.e., magnetic transport phenomena). By improving our basic understanding and by providing direct experimental data on blanket behavior, these experiments will lead to improved designs and an accurate assessment of the attractiveness of liquid-metal blankets

Scaling of interfacial jump conditions; Escalamiento de condiciones de salto interfacial

Energy Technology Data Exchange (ETDEWEB)

Quezada G, S.; Vazquez R, A.; Espinosa P, G., E-mail: sequga@gmail.com [Universidad Autonoma Metropolitana, Unidad Iztapalapa, Area de Ingenieria en Recursos Energeticos, Apdo. Postal 55-535, 09340 Ciudad de Mexico (Mexico)

2015-09-15

To model the behavior of a nuclear reactor accurately is needed to have balance models that take into account the different phenomena occurring in the reactor. These balances have to be coupled together through boundary conditions. The boundary conditions have been studied and different treatments have been given to the interface. In this paper is a brief description of some of the interfacial jump conditions that have been proposed in recent years. Also, the scaling of an interfacial jump condition is proposed, for coupling the different materials that are in contact within a nuclear reactor. (Author)

Molecular dynamics study on heat transport from single-walled carbon nanotubes to Si substrate

Energy Technology Data Exchange (ETDEWEB)

Feng, Ya; Zhu, Jie, E-mail: zhujie@iet.cn; Tang, Da-Wei

2015-02-06

In this paper, non-equilibrium molecular dynamics simulations were performed to investigate the heat transport between a vertically aligned single-walled carbon nanotube (SWNT) and Si substrate, to find out the influence of temperature and system sizes, including diameter and length of SWNT and measurements of substrate. Results revealed that high temperature hindered heat transport in SWNT itself but was a beneficial stimulus for heat transport at interface of SWNT and Si. Furthermore, the system sizes strongly affected the peaks in vibrational density of states of Si, which led to interfacial thermal conductance dependent on system sizes. - Highlights: • NEMD is performed to simulate the heat transport from SWNT to Si substrate. • We analyze both interfacial thermal conductance and thermal conductivity of SWNT. • High temperature is a beneficial stimulus for heat transport at the interface. • Interfacial thermal conductance strongly depends on the sizes of SWNT and substrate. • We calculate VDOS of C and Si atoms to analyze phonon couplings between them.

Interfacial binding of cutinase rather than its catalytic activity determines the steady state interfacial tension during oil drop lipid hydrolysis.

Science.gov (United States)

Flipsen, J A; van Schaick, M A; Dijkman, R; van der Hijden, H T; Verheij, H M; Egmond, M R

1999-02-01

Hydrolysis of triglycerides by cutinase from Fusarium solani pisi causes in oil drop tensiometer experiments a decrease of the interfacial tension. A series of cutinase variants with amino acid substitutions at its molecular surface yielded different values of the steady state interfacial tension. This tension value poorly correlated with the specific activity as such nor with the total activity (defined as the specific activity multiplied by the amount of enzyme bound) of the cutinase variants. Moreover, it appeared that at activity levels above 15% of that of wild type cutinase the contribution of hydrolysis to the decrease of the tension is saturating. A clear positive correlation was found between the interfacial tension plateau value and the interfacial binding of cutinase, as determined with attenuated total reflection Fourier transformed infrared spectroscopy (ATR-FTIR). These results indicate that the interfacial steady state level is not determined by the rate of hydrolysis, but mainly by the interfacial binding of cutinase.

Study of Bubble Size, Void Fraction, and Mass Transport in a Bubble Column under High Amplitude Vibration

Directory of Open Access Journals (Sweden)

Shahrouz Mohagheghian

2018-04-01

Full Text Available Vertical vibration is known to cause bubble breakup, clustering and retardation in gas-liquid systems. In a bubble column, vibration increases the mass transfer ratio by increasing the residence time and phase interfacial area through introducing kinetic buoyancy force (Bjerknes effect and bubble breakup. Previous studies have explored the effect of vibration frequency (f, but minimal effort has focused on the effect of amplitude (A on mass transfer intensification. Thus, the current work experimentally examines bubble size, void fraction, and mass transfer in a bubble column under relatively high amplitude vibration (1.5 mm < A <9.5 mm over a frequency range of 7.5–22.5 Hz. Results of the present work were compared with past studies. The maximum stable bubble size under vibration was scaled using Hinze theory for breakage. Results of this work indicate that vibration frequency exhibits local maxima in both mass transfer and void fraction. Moreover, an optimum amplitude that is independent of vibration frequency was found for mass transfer enhancements. Finally, this work suggests physics-based models to predict void fraction and mass transfer in a vibrating bubble column.

Interfacial instability induced by a shock wave in a gas-liquid horizontal stratified system

International Nuclear Information System (INIS)

Sutradhar, S.C.; Chang, J.S.; Yoshida, H.

1987-01-01

The experiments are performed in a rectangular lucite duct equipped with the facility of generating shock waves. Piezo-type pressure transducers are used to monitor the strength and propagation velocity of the shock wave. As the liquid phase has high sound velocity, a prepulse wave system of flow amplitude travels in this phase at a speed faster than the principal shock wave. The magnitude of the transmitted wave in the liquid phase is estimated using a transmission coefficient for gas-liquid system. From the initial pressure ratio of the shock wave, the amplitude of the prepulse as well as the induced interfacial fluid velocity are calculated. The wave length and height of the ripples during the passage of the shock wave are estimated for a specific strength of shock wave moving through the phases. From the high speed photographs, the wave length of the ripples can be assessed. The interfacial friction factor is calculated using colebrook's equation for high speed flow. At least five distinct phenomena are observed to exist during the propagation of a shock wave. These are - (1) the energy carried by the pre-pulse is utilized in perturbing the interface; (2) shock wave induces a mass velocity at the interface; (3) the wavelength of the ripples at the interface is the product of induced interfacial mass velocity and the time period of the prepulse; (4) a portion of the liquid mass of the perturbed interface is entrained in the gas phase may be due to the hydrodynamic lift in that phase; and finally (5) waves with long wavelength are established at the interface

Dynamics of water clusters confined in proteins: a molecular dynamics simulation study of interfacial waters in a dimeric hemoglobin.

Science.gov (United States)

Gnanasekaran, Ramachandran; Xu, Yao; Leitner, David M

2010-12-23

Water confined in proteins exhibits dynamics distinct from the dynamics of water in the bulk or near the surface of a biomolecule. We examine the water dynamics at the interface of the two globules of the homodimeric hemoglobin from Scapharca inaequivalvis (HbI) by molecular dynamics (MD) simulations, with focus on water-protein hydrogen bond lifetimes and rotational anisotropy of the interfacial waters. We find that relaxation of the waters at the interface of both deoxy- and oxy-HbI, which contain a cluster of 17 and 11 interfacial waters, respectively, is well described by stretched exponentials with exponents from 0.1 to 0.6 and relaxation times of tens to thousands of picoseconds. The interfacial water molecules of oxy-HbI exhibit slower rotational relaxation and hydrogen bond rearrangement than those of deoxy-HbI, consistent with an allosteric transition from unliganded to liganded conformers involving the expulsion of several water molecules from the interface. Though the interfacial waters are translationally and rotationally static on the picosecond time scale, they contribute to fast communication between the globules via vibrations. We find that the interfacial waters enhance vibrational energy transport across the interface by ≈10%.

Interfacial reactions between titanium and borate glass

Energy Technology Data Exchange (ETDEWEB)

Brow, R.K. [Sandia National Labs., Albuquerque, NM (United States); Saha, S.K.; Goldstein, J.I. [Lehigh Univ., Bethlehem, PA (United States). Dept. of Materials Science

1992-12-31

Interfacial reactions between melts of several borate glasses and titanium have been investigated by analytical scanning electron microscopy (SEM) and x-ray photoelectron spectroscopy (XPS). A thin titanium boride interfacial layer is detected by XPS after short (30 minutes) thermal treatments. ASEM analyses after longer thermal treatments (8--120 hours) reveal boron-rich interfacial layers and boride precipitates in the Ti side of the interface.

Mass transfer and transport in salt repositories

International Nuclear Information System (INIS)

Pigford, T.H.; Chambre, P.L.; Lee, W.W.L.

1989-02-01

Salt is a unique rock isolation of nuclear waste because it is ''dry'' and nearly impermeable. In this paper we summarize some mass-transfer and transport analyses of salt repositories. First we analyses brine migration. Heating by high-level waste can cause brine in grain boundaries to move due to pressure-gradients. We analyze brine migration treating salt as a thermoelastic solid and found that brine migration is transient and localized. We use previously developed techniques to estimate release rates from waste packages by diffusion. Interbeds exist in salt and may be conduits for radionuclide migration. We analyze steady-state migration due to brine flow in the interbed, as a function of the Peclet number. Then we analyze transient mass transfer, both into the interbed and directly to salt, due only to diffusion. Finally we compare mass transfer rates of a waste cylinder in granite facing a fracture and in salt facing an interbed. In all cases, numerical illustrations of the analytic solution are given. 10 refs., 4 figs., 3 tabs

Analysis of the contribution of sedimentation to bacterial mass transport in a parallel plate flow chamber

NARCIS (Netherlands)

Li, Jiuyi; Busscher, Henk J.; Norde, Willem; Sjollema, Jelmer

2011-01-01

In order to investigate bacterium-substratum interactions, understanding of bacterial mass transport is necessary. Comparisons of experimentally observed initial deposition rates with mass transport rates in parallel-plate-flow-chambers (PPFC) predicted by convective-diffusion yielded deposition

Model of interfacial melting

DEFF Research Database (Denmark)

Mouritsen, Ole G.; Zuckermann, Martin J.

1987-01-01

A two-dimensional model is proposed to describe systems with phase transitions which take place in terms of crystalline as well as internal degrees of freedom. Computer simulation of the model shows that the interplay between the two sets of degrees of freedom permits observation of grain-boundar......-boundary formation and interfacial melting, a nonequilibrium process by which the system melts at the boundaries of a polycrystalline domain structure. Lipid membranes are candidates for systems with pronounced interfacial melting behavior....

Interfacial chemistry in solvent extraction systems: Progress report for period April 1, 1986-March 31, 1987

International Nuclear Information System (INIS)

Neuman, R.D.

1986-11-01

Proton magnetic resonance spectroscopic, vapor pressure osmometric and Karl Fischer titrimetric measurements have provided support for our earlier findings obtained from interfacial tension and mass transfer experiments that reversed micelles are formed, under certain conditions, in the system HDEHP/n-hexane/CaCl 2 solution. These studies were further extended to include different organophosphorus acid (PC 88A), diluent (benzene), and metal ions (Co 2+ , Ni 2+ , and Zn 2+ ) to determine whether reversed micellization is a general phenomenon occurring in solvent extraction systems which employ organophosphorus acids. The data obtained so far, suggest that reversed micellization indeed is a general phenomenon operative in organophosphorus acid extractant systems. A new mass transfer cell has been constructed in order to investigate the metal distribution equilibria and extraction kinetics of Co, Ni and Zn using atomic absorption spectrophotometric technique. A quasi-elastic light-scattering apparatus has been installed to investigate aggregation phenomena in solvent extraction systems. Preliminary drop-interface coalescence studies were performed, and the results were correlated with those obtained from interfacial tension measurements. The laser heterodyne light-scattering apparatus for measurement of interfacial viscoelastic properties also has been set-up and is being optimized for high resolution measurements. 21 refs., 16 figs

Enhanced interfacial radiation-induced reaction for improving the interfacial adhesion of incompatible polymer blend PP/BR

International Nuclear Information System (INIS)

Liu Changhai; Yang Huili; Xu Jun

1995-01-01

γ-radiation induced interfacial changes of incompatible polymer isotactic polypropylene (PP) and cis1,4-polybutadiene (BR) blends containing polyfunctional monomer (PFM) triallyl isocyanurate (TAIC) were investigated. The results of the study are as following: PP is incompatible with BR; TAIC is hardly dissolved in both PP and BR; when blended with PP/BR, the concentration of TAIC in the interfacial region is higher than that in dispersion phase of BR or matrix of PP. The crosslinking and/or grafting of which TAIC occurred under radiation in the interfacial region anchored the dispersed BR phase to PP matrix. The interaction between adjacent phases is changed from sole van der Waals force to co-action of both chemical bond and molecular forces. Crosslinking between adjacent phases links the dispersed phase with PP matrix, and grafting in the boundary regions increases the thickness of interface. These result in a good interfacial adhesion between dispersed phase and matrix. (author)

Effects of turbulent hyporheic mixing on reach-scale solute transport

Science.gov (United States)

Roche, K. R.; Li, A.; Packman, A. I.

2017-12-01

Turbulence rapidly mixes solutes and fine particles into coarse-grained streambeds. Both hyporheic exchange rates and spatial variability of hyporheic mixing are known to be controlled by turbulence, but it is unclear how turbulent mixing influences mass transport at the scale of stream reaches. We used a process-based particle-tracking model to simulate local- and reach-scale solute transport for a coarse-bed stream. Two vertical mixing profiles, one with a smooth transition from in-stream to hyporheic transport conditions and a second with enhanced turbulent transport at the sediment-water interface, were fit to steady-state subsurface concentration profiles observed in laboratory experiments. The mixing profile with enhanced interfacial transport better matched the observed concentration profiles and overall mass retention in the streambed. The best-fit mixing profiles were then used to simulate upscaled solute transport in a stream. Enhanced mixing coupled in-stream and hyporheic solute transport, causing solutes exchanged into the shallow subsurface to have travel times similar to the water column. This extended the exponential region of the in-stream solute breakthrough curve, and delayed the onset of the heavy power-law tailing induced by deeper and slower hyporheic porewater velocities. Slopes of observed power-law tails were greater than those predicted from stochastic transport theory, and also changed in time. In addition, rapid hyporheic transport velocities truncated the hyporheic residence time distribution by causing mass to exit the stream reach via subsurface advection, yielding strong exponential tempering in the in-stream breakthrough curves at the timescale of advective hyporheic transport through the reach. These results show that strong turbulent mixing across the sediment-water interface violates the conventional separation of surface and subsurface flows used in current models for solute transport in rivers. Instead, the full distribution of

Nine years of mass transport data in the eastern boundary of the North Atlantic Subtropical Gyre

Science.gov (United States)

Fraile-Nuez, Eugenio; MachíN, Francisco; VéLez-Belchí, Pedro; López-Laatzen, Federico; Borges, Rafael; BeníTez-Barrios, Verónica; HernáNdez-Guerra, Alonso

2010-09-01

One of the longest current meter time series in the Lanzarote Passage in the eastern boundary of the North Atlantic Subtropical Gyre has been used to determine and quantify the 9-year mean transport, the inter-annual and seasonal mass transport variability for the three water masses present in the area. Results show North Atlantic Central Water (NACW) flowing southward in the upper levels with a mean mass transport of -0.81 ± 1.48 Sv, Antarctic Intermediate Water (AAIW) flowing northward at intermediate levels with a mean transport of +0.09 ± 0.57 Sv and Mediterranean Water (MW) flowing southward in the deep part of the passage with a mean transport of -0.05 ± 0.17 Sv. Harmonic and wavelet analysis show the presence of a seasonal pattern in the passage for the three water masses. A maximum southward transport in winter and spring has been observed for the NACW followed by a minimum in summer and fall. Near zero values during winter and spring are found for AAIW, with a maximum northward value in summer and a negative value in fall, when this water mass reverses its flow. MW has a similar seasonal pattern to NACW. The vertical structure in the Lanzarote Passage can be approximated by four significant oscillatory modes which cumulatively explain 86.4% of the variance. The strong transport fluctuation found at the seasonal and inter-annual timescales demonstrates that the Eastern Boundary Current transport has a strong impact on meridional overturning estimates, thus indicating that to understand Meridional Overturning Circulation variability, these transport estimates at the eastern Atlantic margin are necessary.

Simulation of heat and mass transfer in boiling water with the Melodif code

International Nuclear Information System (INIS)

Freydier, P.; Chen, O.; Olive, J.; Simonin, O.

1991-04-01

The Melodif code is developed at Electricite de France, Research and Development Division. It is an eulerian two dimensional code for the simulation of turbulent two phase flows (a three dimensional code derived from Melodif, ASTRID, is currently being prepared). Melodif is based on the two fluid model, solving the equations of conservation for mass, momentum and energy, for both phases. In such a two fluid model, the description of interfacial transfers between phases is a crucial issue. The model used applies to a dominant continuous phase, and a dispersed phase. A good description of interfacial momentum transfer exists in the standard MELODIF code: the drag force, the apparent mass force... are taken into account. An important factor for interfacial transfers is the interfacial area per volume unit. With the assumption of spherical gas bubbles, an equation has been written for this variable. In the present wok, a model has been tested for interfacial heat and mass transfer in the case of boiling water: it is assumed that mass transfer is controlled by heat transfer through the latent massic energy taken in the phase that vaporizes (or condenses). This heat and mass transfer model has been tested in various configurations: - a cylinder with water flowing inside, is being heated. Boiling takes place near the wall, while bubbles migrating to the core of the flow recondense. This roughly simulates a sub-cooled boiling phenomenon. - a box containing liquid water is depressurized. Boiling takes place in the whole volume of the fluid. The Melodif code can simulate this configuration due to the implicitation of the relation between interphase mass transfer and the pressure variable

Study on the Mechanical and Interfacial Property of Injection Molded Fiber Reinforced Thermoplastics

OpenAIRE

王, 存涛

2014-01-01

Fiber reinforced polymer (FRP) composites have been used widely in the land transportation, aerospace, marine structures and characteristically conservative infrastructure construction industries and generally, the interface plays very important role in the properties of FRP materials. Therefore, this research studied the mechanical and interfacial property involved in the non-weld samples, weld samples and adhesive samples of insert moldings. Green composites as one of environment-friendly m...

Water mass distributions and transports for the 2014 GEOVIDE cruise in the North Atlantic

Science.gov (United States)

García-Ibáñez, Maribel I.; Pérez, Fiz F.; Lherminier, Pascale; Zunino, Patricia; Mercier, Herlé; Tréguer, Paul

2018-04-01

We present the distribution of water masses along the GEOTRACES-GA01 section during the GEOVIDE cruise, which crossed the subpolar North Atlantic Ocean and the Labrador Sea in the summer of 2014. The water mass structure resulting from an extended optimum multiparameter (eOMP) analysis provides the framework for interpreting the observed distributions of trace elements and their isotopes. Central Waters and Subpolar Mode Waters (SPMW) dominated the upper part of the GEOTRACES-GA01 section. At intermediate depths, the dominant water mass was Labrador Sea Water, while the deep parts of the section were filled by Iceland-Scotland Overflow Water (ISOW) and North-East Atlantic Deep Water. We also evaluate the water mass volume transports across the 2014 OVIDE line (Portugal to Greenland section) by combining the water mass fractions resulting from the eOMP analysis with the absolute geostrophic velocity field estimated through a box inverse model. This allowed us to assess the relative contribution of each water mass to the transport across the section. Finally, we discuss the changes in the distribution and transport of water masses between the 2014 OVIDE line and the 2002-2010 mean state. At the upper and intermediate water levels, colder end-members of the water masses replaced the warmer ones in 2014 with respect to 2002-2010, in agreement with the long-term cooling of the North Atlantic Subpolar Gyre that started in the mid-2000s. Below 2000 dbar, ISOW increased its contribution in 2014 with respect to 2002-2010, with the increase being consistent with other estimates of ISOW transports along 58-59° N. We also observed an increase in SPMW in the East Greenland Irminger Current in 2014 with respect to 2002-2010, which supports the recent deep convection events in the Irminger Sea. From the assessment of the relative water mass contribution to the Atlantic Meridional Overturning Circulation (AMOC) across the OVIDE line, we conclude that the larger AMOC intensity in

A High-Resolution Model of Water Mass Transformation and Transport in the Weddell Sea

Science.gov (United States)

Hazel, J.; Stewart, A.

2016-12-01

The ocean circulation around the Antarctic margins has a pronounced impact on the global ocean and climate system. One of these impacts includes closing the global meridional overturning circulation (MOC) via formation of dense Antarctic Bottom Water (AABW), which ventilates a large fraction of the subsurface ocean. AABW is also partially composed of modified Circumpolar Deep Water (CDW), a warm, mid-depth water mass whose transport towards the continent has the potential to induce rapid retreat of marine-terminating glaciers. Previous studies suggest that these water mass exchanges may be strongly influenced by high-frequency processes such as downslope gravity currents, tidal flows, and mesoscale/submesoscale eddy transport. However, evaluating the relative contributions of these processes to near-Antarctic water mass transports is hindered by the region's relatively small scales of motion and the logistical difficulties in taking measurements beneath sea ice.In this study we develop a regional model of the Weddell Sea, the largest established source of AABW. The model is forced by an annually-repeating atmospheric state constructed from the Antarctic Mesoscale Prediction System data and by annually-repeating lateral boundary conditions constructed from the Southern Ocean State Estimate. The model incorporates the full Filchner-Ronne cavity and simulates the thermodynamics and dynamics of sea ice. To analyze the role of high-frequency processes in the transport and transformation of water masses, we compute the model's overturning circulation, water mass transformations, and ice sheet basal melt at model horizontal grid resolutions ranging from 1/2 degree to 1/24 degree. We temporally decompose the high-resolution (1/24 degree) model circulation into components due to mean, eddy and tidal flows and discuss the geographical dependence of these processes and their impact on water mass transformation and transport.

Cable Connected Spinning Spacecraft, 1. the Canonical Equations, 2. Urban Mass Transportation, 3

Science.gov (United States)

Sitchin, A.

1972-01-01

Work on the dynamics of cable-connected spinning spacecraft was completed by formulating the equations of motion by both the canonical equations and Lagrange's equations and programming them for numerical solution on a digital computer. These energy-based formulations will permit future addition of the effect of cable mass. Comparative runs indicate that the canonical formulation requires less computer time. Available literature on urban mass transportation was surveyed. Areas of the private rapid transit concept of urban transportation are also studied.

Thermodynamically coupled mass transport processes in a saturated clay

International Nuclear Information System (INIS)

Carnahan, C.L.

1984-01-01

Gradients of temperature, pressure, and fluid composition in saturated clays give rise to coupled transport processes (thermal and chemical osmosis, thermal diffusion, ultrafiltration) in addition to the direct processes (advection and diffusion). One-dimension transport of water and a solute in a saturated clay subjected to mild gradients of temperature and pressure was simulated numerically. When full coupling was accounted for, volume flux (specific discharge) was controlled by thermal osmosis and chemical osmosis. The two coupled fluxes were oppositely directed, producing a point of stagnation within the clay column. Solute flows were dominated by diffusion, chemical osmosis, and thermal osmosis. Chemical osmosis produced a significant flux of solute directed against the gradient of solute concentration; this effect reduced solute concentrations relative to the case without coupling. Predictions of mass transport in clays at nuclear waste repositories could be significantly in error if coupled transport processes are not accounted for. 14 refs., 8 figs

Thermodynamically coupled mass transport processes in a saturated clay

International Nuclear Information System (INIS)

Carnahan, C.L.

1984-11-01

Gradients of temperature, pressure, and fluid composition in saturated clays give rise to coupled transport processes (thermal and chemical osmosis, thermal diffusion, ultrafiltration) in addition to the direct processes (advection and diffusion). One-dimensional transport of water and a solute in a saturated clay subjected to mild gradients of temperature and pressure was simulated numerically. When full coupling was accounted for, volume flux (specific discharge) was controlled by thermal osmosis and chemical osmosis. The two coupled fluxes were oppositely directed, producing a point of stagnation within the clay column. Solute flows were dominated by diffusion, chemical osmosis, and thermal osmosis. Chemical osmosis produced a significant flux of solute directed against the gradient of solute concentration; this effect reduced solute concentrations relative to the case without coupling. Predictions of mass transport in clays at nuclear waste repositories could be significantly in error if coupled transport processes are not accounted for. 14 references, 8 figures, 1 table

Local measurement of interfacial area, interfacial velocity and liquid turbulence in two-phase flow

International Nuclear Information System (INIS)

Hibiki, T.; Hogsett, S.; Ishii, M.

1998-01-01

Double sensor probe and hotfilm anemometry methods were developed for measuring local flow characteristics in bubbly flow. The formulation for the interfacial area concentration measurement was obtained by improving the formulation derived by Kataoka and Ishii. The assumptions used in the derivation of the equation were verified experimentally. The interfacial area concentration measured by the double sensor probe agreed well with one by the photographic method. The filter to validate the hotfilm anemometry for measuring the liquid velocity and turbulent intensity in bubbly flow was developed based on removing the signal due to the passing bubbles. The local void fraction, interfacial area concentration, interfacial velocity, Sauter mean diameter, liquid velocity, and turbulent intensity of vertical upward air-water flow in a round tube with inner diameter of 50.8 mm were measured by using these methods. A total of 54 data sets were acquired consisting of three superficial gas flow rates, 0.039, 0.067, and 0.147 m/s, and three superficial liquid flow rates, 0.60, 1.00, and 1.30 m/s. The measurements were performed at the three locations: L/D=2, 32, and 62. This data is expected to be used for the development of reliable constitutive relations which reflect the true transfer mechanisms in two-phase flow. (author)

Interfacial pH-gradient induced micro-capillary filling with the aid of transverse electrodes arrays in presence of electrical double layer effects

International Nuclear Information System (INIS)

Jain, Avi; Chakraborty, Suman

2010-01-01

In the present work, we outline the design and analysis of a micro-capillary filling mechanism through the aid of interfacial pH gradients (and hence interfacial tension gradients) generated by employing arrays of transverse electrodes inducing step changes in voltages, in a natural buffer system that requires low power and no synthetic ampholytes. The capillary transport is modulated by a dynamic and non-trivial coupling between the interfacial tension and viscous resistances, as a consequence of the underlying intermolecular interactions. The competing effects of the driving and the retarding forces effectively determine the displacement, velocity and acceleration characteristics of the capillary front, in a dynamically evolving manner. A comprehensive theoretical model of capillary dynamics is developed here to address these issues in details, thereby revealing the combined influence of the interfacial electrochemistry and the applied transverse voltages, as guided by the pertinent fundamental thermodynamic principles governed by free energy considerations and the physico-chemical phenomena over interfacial scales. Non-trivial implications of the pH-gradient driven micro-capillary transport are aptly emphasized, so as to offer significant physical insights on the adopted strategy as a guiding principle for facilitating capillary filling processes by inducing a modulation in the effective interfacial energy. Particular implications on the capillary filling time are also pinpointed, revealing the effectiveness of the adopted design strategy. Finally, a universal scaling relationship of the capillary filling time as a function of the pertinent operating parameters is derived, so as to provide a generalized guideline for implementing the design scheme. A non-dimensional parameter, depending simultaneously on the inter-electrode pitch and the transverse voltage, is identified, which may be kept to a minimal limit within the other operating constraints of the chosen

Mass transport thermodynamics in nonisothermal molecular liquid mixtures

Energy Technology Data Exchange (ETDEWEB)

Semenov, Semen N [Institute for Biochemical Physics, Russian Academy of Sciences, Moscow (Russian Federation); Schimpf, M E [Department of Chemistry and Biochemistry, Boise State University, Boise, ID (United States)

2009-10-31

Mass transport in a nonisothermal binary molecular mixture is systematically discussed in terms of nonequilibrium thermodynamics, which for the first time allows a consistent and unambiguous description of the process. The thermodynamic and hydrodynamic approaches are compared, revealing that nonequilibrium thermodynamics and physicochemical hydrodynamics yield essentially the same results for molecular systems. The applicability limits for the proposed version of the thermodynamic approach are determined for large particles. (methodological notes)

General particle transport equation. Final report

International Nuclear Information System (INIS)

Lafi, A.Y.; Reyes, J.N. Jr.

1994-12-01

The general objectives of this research are as follows: (1) To develop fundamental models for fluid particle coalescence and breakage rates for incorporation into statistically based (Population Balance Approach or Monte Carlo Approach) two-phase thermal hydraulics codes. (2) To develop fundamental models for flow structure transitions based on stability theory and fluid particle interaction rates. This report details the derivation of the mass, momentum and energy conservation equations for a distribution of spherical, chemically non-reacting fluid particles of variable size and velocity. To study the effects of fluid particle interactions on interfacial transfer and flow structure requires detailed particulate flow conservation equations. The equations are derived using a particle continuity equation analogous to Boltzmann's transport equation. When coupled with the appropriate closure equations, the conservation equations can be used to model nonequilibrium, two-phase, dispersed, fluid flow behavior. Unlike the Eulerian volume and time averaged conservation equations, the statistically averaged conservation equations contain additional terms that take into account the change due to fluid particle interfacial acceleration and fluid particle dynamics. Two types of particle dynamics are considered; coalescence and breakage. Therefore, the rate of change due to particle dynamics will consider the gain and loss involved in these processes and implement phenomenological models for fluid particle breakage and coalescence

A correction technique for the dispersive effects of mass lumping for transport problems

KAUST Repository

Guermond, Jean-Luc; Pasquetti, Richard

2013-01-01

This paper addresses the well-known dispersion effect that mass lumping induces when solving transport-like equations. A simple anti-dispersion technique based on the lumped mass matrix is proposed. The method does not require any non-trivial matrix

The Role of Shearing Energy and Interfacial Gibbs Free Energy in the Emulsification Mechanism of Waxy Crude Oil

Directory of Open Access Journals (Sweden)

Zhihua Wang

2017-05-01

Full Text Available Crude oil is generally produced with water, and the water cut produced by oil wells is increasingly common over their lifetime, so it is inevitable to create emulsions during oil production. However, the formation of emulsions presents a costly problem in surface process particularly, both in terms of transportation energy consumption and separation efficiency. To deal with the production and operational problems which are related to crude oil emulsions, especially to ensure the separation and transportation of crude oil-water systems, it is necessary to better understand the emulsification mechanism of crude oil under different conditions from the aspects of bulk and interfacial properties. The concept of shearing energy was introduced in this study to reveal the driving force for emulsification. The relationship between shearing stress in the flow field and interfacial tension (IFT was established, and the correlation between shearing energy and interfacial Gibbs free energy was developed. The potential of the developed correlation model was validated using the experimental and field data on emulsification behavior. It was also shown how droplet deformation could be predicted from a random deformation degree and orientation angle. The results indicated that shearing energy as the energy produced by shearing stress working in the flow field is the driving force activating the emulsification behavior. The deformation degree and orientation angle of dispersed phase droplet are associated with the interfacial properties, rheological properties and the experienced turbulence degree. The correlation between shearing stress and IFT can be quantified if droplet deformation degree vs. droplet orientation angle data is available. When the water cut is close to the inversion point of waxy crude oil emulsion, the interfacial Gibbs free energy change decreased and the shearing energy increased. This feature is also presented in the special regions where

Mass Transport: Circulatory System with Emphasis on Nonendothermic Species.

Science.gov (United States)

Crossley, Dane A; Burggren, Warren W; Reiber, Carl L; Altimiras, Jordi; Rodnick, Kenneth J

2016-12-06

Mass transport can be generally defined as movement of material matter. The circulatory system then is a biological example given its role in the movement in transporting gases, nutrients, wastes, and chemical signals. Comparative physiology has a long history of providing new insights and advancing our understanding of circulatory mass transport across a wide array of circulatory systems. Here we focus on circulatory function of nonmodel species. Invertebrates possess diverse convection systems; that at the most complex generate pressures and perform at a level comparable to vertebrates. Many invertebrates actively modulate cardiovascular function using neuronal, neurohormonal, and skeletal muscle activity. In vertebrates, our understanding of cardiac morphology, cardiomyocyte function, and contractile protein regulation by Ca2+ highlights a high degree of conservation, but differences between species exist and are coupled to variable environments and body temperatures. Key regulators of vertebrate cardiac function and systemic blood pressure include the autonomic nervous system, hormones, and ventricular filling. Further chemical factors regulating cardiovascular function include adenosine, natriuretic peptides, arginine vasotocin, endothelin 1, bradykinin, histamine, nitric oxide, and hydrogen sulfide, to name but a few. Diverse vascular morphologies and the regulation of blood flow in the coronary and cerebral circulations are also apparent in nonmammalian species. Dynamic adjustments of cardiovascular function are associated with exercise on land, flying at high altitude, prolonged dives by marine mammals, and unique morphology, such as the giraffe. Future studies should address limits of gas exchange and convective transport, the evolution of high arterial pressure across diverse taxa, and the importance of the cardiovascular system adaptations to extreme environments. © 2017 American Physiological Society. Compr Physiol 7:17-66, 2017. Copyright © 2017 John

Unravelling surface and interfacial structures of a metal–organic framework by transmission electron microscopy

KAUST Repository

Zhu, Yihan

2017-02-21

Metal–organic frameworks (MOFs) are crystalline porous materials with designable topology, porosity and functionality, having promising applications in gas storage and separation, ion conduction and catalysis1, 2, 3. It is challenging to observe MOFs with transmission electron microscopy (TEM) due to the extreme instability of MOFs upon electron beam irradiation4, 5, 6, 7. Here, we use a direct-detection electron-counting camera to acquire TEM images of the MOF ZIF-8 with an ultralow dose of 4.1 electrons per square ångström to retain the structural integrity. The obtained image involves structural information transferred up to 2.1 Å, allowing the resolution of individual atomic columns of Zn and organic linkers in the framework. Furthermore, TEM reveals important local structural features of ZIF-8 crystals that cannot be identified by diffraction techniques, including armchair-type surface terminations and coherent interfaces between assembled crystals. These observations allow us to understand how ZIF-8 crystals self-assemble and the subsequent influence of interfacial cavities on mass transport of guest molecules.

Water mass distributions and transports for the 2014 GEOVIDE cruise in the North Atlantic

Directory of Open Access Journals (Sweden)

M. I. García-Ibáñez

2018-04-01

Full Text Available We present the distribution of water masses along the GEOTRACES-GA01 section during the GEOVIDE cruise, which crossed the subpolar North Atlantic Ocean and the Labrador Sea in the summer of 2014. The water mass structure resulting from an extended optimum multiparameter (eOMP analysis provides the framework for interpreting the observed distributions of trace elements and their isotopes. Central Waters and Subpolar Mode Waters (SPMW dominated the upper part of the GEOTRACES-GA01 section. At intermediate depths, the dominant water mass was Labrador Sea Water, while the deep parts of the section were filled by Iceland–Scotland Overflow Water (ISOW and North-East Atlantic Deep Water. We also evaluate the water mass volume transports across the 2014 OVIDE line (Portugal to Greenland section by combining the water mass fractions resulting from the eOMP analysis with the absolute geostrophic velocity field estimated through a box inverse model. This allowed us to assess the relative contribution of each water mass to the transport across the section. Finally, we discuss the changes in the distribution and transport of water masses between the 2014 OVIDE line and the 2002–2010 mean state. At the upper and intermediate water levels, colder end-members of the water masses replaced the warmer ones in 2014 with respect to 2002–2010, in agreement with the long-term cooling of the North Atlantic Subpolar Gyre that started in the mid-2000s. Below 2000 dbar, ISOW increased its contribution in 2014 with respect to 2002–2010, with the increase being consistent with other estimates of ISOW transports along 58–59° N. We also observed an increase in SPMW in the East Greenland Irminger Current in 2014 with respect to 2002–2010, which supports the recent deep convection events in the Irminger Sea. From the assessment of the relative water mass contribution to the Atlantic Meridional Overturning Circulation (AMOC across the OVIDE line, we conclude

Local interfacial structure of subcooled boiling flow in a heated annulus

International Nuclear Information System (INIS)

Lee, Tae-Ho; Kim, Seong-O; Yun, Byong-Jo; Park, Goon-Cherl; Hibiki, Takashi

2008-01-01

Local measurements of flow parameters were performed for vertical upward subcooled boiling flows in an internally heated annulus. The annulus channel consisted of an inner heater rod with a diameter of 19.0 mm and an outer round tube with an inner diameter of 37.5 mm, and the hydraulic equivalent diameter was 18.5 mm. The double-sensor conductivity probe method was used for measuring the local void fraction, interfacial area concentration, bubble Sauter mean diameter and gas velocity, whereas the miniature Pitot tube was used for measuring the local liquid velocity. A total of 32 data sets were acquired consisting of various combinations of heat flux, 88.1-350.9 kW/m 2 , mass flux, 469.7-1061.4kg(m 2 s) and inlet liquid temperature, 83.8-100.5degC. Six existing drift-flux models, six exiting correlations of the interfacial area concentration and bubble layer thickness model were evaluated using the data obtained in the experiment. (author)

Mass-conserving tracer transport modelling on a reduced latitude-longitude grid with NIES-TM

Directory of Open Access Journals (Sweden)

D. Belikov

2011-03-01

Full Text Available The need to perform long-term simulations with reasonable accuracy has led to the development of mass-conservative and efficient numerical methods for solving the transport equation in forward and inverse models. We designed and implemented a flux-form (Eulerian tracer transport algorithm in the National Institute for Environmental Studies Transport Model (NIES TM, which is used for simulating diurnal and synoptic-scale variations of tropospheric long-lived constituents, as well as their seasonal and inter-annual variability. Implementation of the flux-form method requires the mass conservative wind fields. However, the model is off-line and is driven by datasets from a global atmospheric model or data assimilation system, in which vertically integrated mass changes are not in balance with the surface pressure tendency and mass conservation is not achieved. To rectify the mass-imbalance, a flux-correction method is employed. To avoid a singularity near the poles, caused by the small grid size arising from the meridional convergence problem, the proposed model uses a reduced latitude–longitude grid scheme, in which the grid size is doubled several times approaching the poles. This approach overcomes the Courant condition in the Polar Regions, maintains a reasonably high integration time-step, and ensures adequate model performance during simulations. To assess the model performance, we performed global transport simulations for SF₆, ²²²Rn, and CO₂. The results were compared with observations available from the World Data Centre for Greenhouse Gases, GLOBALVIEW, and the Hateruma monitoring station, Japan. Overall, the results show that the proposed flux-form version of NIES TM can produce tropospheric tracer transport more realistically than previously possible. The reasons for this improvement are discussed.

Interfacial characterization of soil-embedded optical fiber for ground deformation measurement

International Nuclear Information System (INIS)

Zhang, Cheng-Cheng; Zhu, Hong-Hu; Shi, Bin; She, Jun-Kuan

2014-01-01

Recently fiber-optic sensing technologies have been applied for performance monitoring of geotechnical structures such as slopes, foundations, and retaining walls. However, the validity of measured data from soil-embedded optical fibers is strongly influenced by the properties of the interface between the sensing fiber and the soil mass. This paper presents a study of the interfacial properties of an optical fiber embedded in soil with an emphasis on the effect of overburden pressure. Laboratory pullout tests were conducted to investigate the load-deformation characteristics of a 0.9 mm tight-buffered optical fiber embedded in soil. Based on a tri-linear interfacial shear stress-displacement relationship, an analytical model was derived to describe the progressive pullout behavior of an optical fiber from soil matrix. A comparison between the experimental and predicted results verified the effectiveness of the proposed pullout model. The test results are further interpreted and discussed. It is found that the interfacial bond between an optical fiber and soil is prominently enhanced under high overburden pressures. The apparent coefficients of friction of the optical fiber/soil interface decrease as the overburden pressure increases, due to the restrained soil dilation around the optical fiber. Furthermore, to facilitate the analysis of strain measurement, three working states of a soil-embedded sensing fiber were defined in terms of two characteristic displacements. (paper)

Study of the charge transport characteristics of dendrimer molecular thin films

Energy Technology Data Exchange (ETDEWEB)

Li, J.C., E-mail: jcli@mail.neu.edu.cn; Han, N.; Wang, S.S.; Ba, D.C.

2011-05-31

In this work, we systematically studied the electrical characteristics of two types of dendritic arylamine thin film devices. We observed that, for devices with different interfacial structures, their charge injection barriers and transport properties are obviously different. The smallest charge injection barrier is observed in dendrimer devices without charge-transfer interfacial layers. The Richardson-Schottky thermionic emission model can be well used to fit the experimental current-voltage characteristics at a lower voltage region. The charge injection barrier increases about 0.4 eV and 0.5 eV when a 1-decanethiol self-assembly layer and -CN terminated dendrimer thin films are inserted as the interfacial layer, respectively. It is shown that the molecule/electrode charge-transfer interfaces can largely affect the device charge injection/transport process and consequently change the device performance. In this case, the space charge limited conduction theory is more applicable to simulate the device conduction mechanism. Owing to its ultra-thin thickness, the self-assembly monolayer technique is proved to be an efficient approach in engineering the interfacial electronic structures of dendrimer thin film devices.

Study of the charge transport characteristics of dendrimer molecular thin films

International Nuclear Information System (INIS)

Li, J.C.; Han, N.; Wang, S.S.; Ba, D.C.

2011-01-01

In this work, we systematically studied the electrical characteristics of two types of dendritic arylamine thin film devices. We observed that, for devices with different interfacial structures, their charge injection barriers and transport properties are obviously different. The smallest charge injection barrier is observed in dendrimer devices without charge-transfer interfacial layers. The Richardson-Schottky thermionic emission model can be well used to fit the experimental current-voltage characteristics at a lower voltage region. The charge injection barrier increases about 0.4 eV and 0.5 eV when a 1-decanethiol self-assembly layer and -CN terminated dendrimer thin films are inserted as the interfacial layer, respectively. It is shown that the molecule/electrode charge-transfer interfaces can largely affect the device charge injection/transport process and consequently change the device performance. In this case, the space charge limited conduction theory is more applicable to simulate the device conduction mechanism. Owing to its ultra-thin thickness, the self-assembly monolayer technique is proved to be an efficient approach in engineering the interfacial electronic structures of dendrimer thin film devices.

Microfluidics and microscale transport processes

CERN Document Server

Chakraborty, Suman

2012-01-01

With an intense focus on micro- and nanotechnology from a fluidic perspective, this book details the research activities in key directions on both the theoretical and experimental fronts. As part of the IIT Kharagpur Research Monograph series, the text discusses topics such as capillary transport in microchannels, fluid friction and heat transfer in microchannels, electrokinetics, and interfacial transport in nanochannels. It also covers nanoparticle transport in colloidal suspensions, bubble generation in microfluidic channels, micro-heat pipe, the lattice Boltzmann method for phase changing

Single-Molecule Interfacial Electron Transfer

Energy Technology Data Exchange (ETDEWEB)

Ho, Wilson [Univ. of California, Irvine, CA (United States)

2018-02-03

Interfacial electron transfer (ET) plays an important role in many chemical and biological processes. Specifically, interfacial ET in TiO₂-based systems is important to solar energy technology, catalysis, and environmental remediation technology. However, the microscopic mechanism of interfacial ET is not well understood with regard to atomic surface structure, molecular structure, bonding, orientation, and motion. In this project, we used two complementary methodologies; single-molecule fluorescence spectroscopy, and scanning-tunneling microscopy and spectroscopy (STM and STS) to address this scientific need. The goal of this project was to integrate these techniques and measure the molecular dependence of ET between adsorbed molecules and TiO₂ semiconductor surfaces and the ET induced reactions such as the splitting of water. The scanning probe techniques, STM and STS, are capable of providing the highest spatial resolution but not easily time-resolved data. Single-molecule fluorescence spectroscopy is capable of good time resolution but requires further development to match the spatial resolution of the STM. The integrated approach involving Peter Lu at Bowling Green State University (BGSU) and Wilson Ho at the University of California, Irvine (UC Irvine) produced methods for time and spatially resolved chemical imaging of interfacial electron transfer dynamics and photocatalytic reactions. An integral aspect of the joint research was a significant exchange of graduate students to work at the two institutions. This project bridged complementary approaches to investigate a set of common problems by working with the same molecules on a variety of solid surfaces, but using appropriate techniques to probe under ambient (BGSU) and ultrahigh vacuum (UCI) conditions. The molecular level understanding of the fundamental interfacial electron transfer processes obtained in this joint project will be important for developing efficient light harvesting

Mass transport in bedded salt and salt interbeds

International Nuclear Information System (INIS)

Hwang, Y.; Pigford, T.H.; Chambre, P.L.; Lee, W.W.L.

1989-08-01

Salt is the proposed host rock for geologic repositories of nuclear waste in several nations because it is nearly dry and probably impermeable. Although experiments and experience at potential salt sites indicate that salt may contain brine, the low porosity, creep, and permeability of salt make it still a good choice for geologic isolation. In this paper we summarize several mass-transfer and transport analyses of salt repositories. The mathematical details are given in our technical reports

Effect of Interfacial Bonding on Interphase Properties in SiO2/Epoxy Nanocomposite: A Molecular Dynamics Simulation Study.

Science.gov (United States)

Wang, Zhikun; Lv, Qiang; Chen, Shenghui; Li, Chunling; Sun, Shuangqing; Hu, Songqing

2016-03-23

Atomistic molecular dynamics simulations have been performed to explore the effect of interfacial bonding on the interphase properties of a nanocomposite system that consists of a silica nanoparticle and the highly cross-linked epoxy matrix. For the structural properties, results show that interfacial covalent bonding can broaden the interphase region by increasing the radial effect range of fluctuated mass density and oriented chains, as well as strengthen the interphase region by improving the thermal stability of interfacial van der Waals excluded volume and reducing the proportion of cis conformers of epoxy segments. The improved thermal stability of the interphase region in the covalently bonded model results in an increase of ∼21 K in the glass transition temperature (Tg) compared to that of the pure epoxy. It is also found that interfacial covalent bonding mainly restricts the volume thermal expansion of the model at temperatures near or larger than Tg. Furthermore, investigations from mean-square displacement and fraction of immobile atoms point out that interfacial covalent and noncovalent bonding induces lower and higher mobility of interphase atoms than that of the pure epoxy, respectively. The obtained critical interfacial bonding ratio when the interphase and matrix atoms have the same mobility is 5.8%. These results demonstrate that the glass transitions of the interphase and matrix will be asynchronous when the interfacial bonding ratio is not 5.8%. Specifically, the interphase region will trigger the glass transition of the matrix when the ratio is larger than 5.8%, whereas it restrains the glass transition of the matrix when the ratio is smaller than 5.8%.

p-Type semiconducting nickel oxide as an efficiency-enhancing anode interfacial layer in polymer bulk-heterojunction solar cells

Science.gov (United States)

Irwin, Michael D.; Buchholz, D. Bruce; Hains, Alexander W.; Chang, Robert P. H.; Marks, Tobin J.

2008-01-01

To minimize interfacial power losses, thin (5–80 nm) layers of NiO, a p-type oxide semiconductor, are inserted between the active organic layer, poly(3-hexylthiophene) (P3HT) + [6,6]-phenyl-C61 butyric acid methyl ester (PCBM), and the ITO (tin-doped indium oxide) anode of bulk-heterojunction ITO/P3HT:PCBM/LiF/Al solar cells. The interfacial NiO layer is deposited by pulsed laser deposition directly onto cleaned ITO, and the active layer is subsequently deposited by spin-coating. Insertion of the NiO layer affords cell power conversion efficiencies as high as 5.2% and enhances the fill factor to 69% and the open-circuit voltage (Voc) to 638 mV versus an ITO/P3HT:PCBM/LiF/Al control device. The value of such hole-transporting/electron-blocking interfacial layers is clearly demonstrated and should be applicable to other organic photovoltaics.

Electrocatalytic performance of fuel cell reactions at low catalyst loading and high mass transport.

Science.gov (United States)

Zalitis, Christopher M; Kramer, Denis; Kucernak, Anthony R

2013-03-28

An alternative approach to the rotating disk electrode (RDE) for characterising fuel cell electrocatalysts is presented. The approach combines high mass transport with a flat, uniform, and homogeneous catalyst deposition process, well suited for studying intrinsic catalyst properties at realistic operating conditions of a polymer electrolyte fuel cell (PEFC). Uniform catalyst layers were produced with loadings as low as 0.16 μgPt cm(-2) and thicknesses as low as 200 nm. Such ultra thin catalyst layers are considered advantageous to minimize internal resistances and mass transport limitations. Geometric current densities as high as 5.7 A cm(-2)Geo were experimentally achieved at a loading of 10.15 μgPt cm(-2) for the hydrogen oxidation reaction (HOR) at room temperature, which is three orders of magnitude higher than current densities achievable with the RDE. Modelling of the associated diffusion field suggests that such high performance is enabled by fast lateral diffusion within the electrode. The electrodes operate over a wide potential range with insignificant mass transport losses, allowing the study of the ORR at high overpotentials. Electrodes produced a specific current density of 31 ± 9 mA cm(-2)Spec at a potential of 0.65 V vs. RHE for the oxygen reduction reaction (ORR) and 600 ± 60 mA cm(-2)Spec for the peak potential of the HOR. The mass activity of a commercial 60 wt% Pt/C catalyst towards the ORR was found to exceed a range of literature PEFC mass activities across the entire potential range. The HOR also revealed fine structure in the limiting current range and an asymptotic current decay for potentials above 0.36 V. These characteristics are not visible with techniques limited by mass transport in aqueous media such as the RDE.

Mean free path dependent phonon contributions to interfacial thermal conductance

Energy Technology Data Exchange (ETDEWEB)

Tao, Yi; Liu, Chenhan; Chen, Weiyu; Cai, Shuang; Chen, Chen; Wei, Zhiyong; Bi, Kedong; Yang, Juekuan; Chen, Yunfei, E-mail: yunfeichen@seu.edu.cn

2017-06-15

Interfacial thermal conductance as an accumulation function of the phonon mean free path is rigorously derived from the thermal conductivity accumulation function. Based on our theoretical model, the interfacial thermal conductance accumulation function between Si/Ge is calculated. The results show that the range of mean free paths (MFPs) for phonons contributing to the interfacial thermal conductance is far narrower than that for phonons contributing to the thermal conductivity. The interfacial thermal conductance is mainly contributed by phonons with shorter MFPs, and the size effects can be observed only for an interface constructed by nanostructures with film thicknesses smaller than the MFPs of those phonons mainly contributing to the interfacial thermal conductance. This is why most experimental measurements cannot detect size effects on interfacial thermal conductance. A molecular dynamics simulation is employed to verify our proposed model. - Highlights: • A model to account for the interfacial thermal conductance as an accumulation function of phonon mean free path is proposed; • The model predicts that the range of mean free paths (MFPs) for phonons contributing to the interfacial thermal conductance is far narrower than that contributing to the thermal conductivity; • This model can be conveniently implemented to estimate the size effects on the interfacial thermal conductance for the interfaces formed by a nanostructure contacting a substrate.

Irradiation-enhanced and-induced mass transport

International Nuclear Information System (INIS)

Rehn, L.E.

1989-01-01

Irradiation can be used to enhance diffusion, that is, to increase the rate at which equilibrium is attained, as well as to induce nonequilibrium changes. The main factors influencing whether irradiation will drive a material toward or away from equilibrium are the initial specimen microstructure and geometry, irradiation temperature, and primary recoil spectrum. This paper summarizes known effects of irradiation temperature and primary recoil spectrum on mass transport during irradiation. In comparison to either electron or heavy-ion irradiation, it is concluded that relatively low-energy, light-ion bombardment at intermediate temperatures offers the greatest potential to enhance the rate at which equilibrium is attained. The greatest departures from equilibrium can be expected from irradiation with similar particles at very low temperatures

Oxygen transport enhancement by functionalized magnetic nanoparticles (FMP) in bioprocesses

Science.gov (United States)

Ataide, Filipe Andre Prata

The enhancement of fluid properties, namely thermal conductivity and mass diffusivity for a wide range of applications, through the use of nanosized particles' suspensions has been gathering increasing interest in the scientific community. In previous studies, Olle et al. (2006) showed an enhancement in oxygen absorption to aqueous solutions of up to 6-fold through the use of functionalized nanosized magnetic particles with oleic acid coating. Krishnamurthy et al. (2006) showed a remarkable 26-fold enhancement in dye diffusion in water. These two publications are landmarks in mass transfer enhancement in chemical systems through the use of nanoparticles. The central goal of this Ph.D. thesis was to develop functionalized magnetic nanoparticles to enhance oxygen transport in bioprocesses. The experimental protocol for magnetic nanoparticles synthesis and purification adopted in this thesis is a modification of that reported by Olle et al. (2006). This is facilitated by employing twice the quantity of ammonia, added at a slower rate, and by filtering the final nanoparticle solution in a cross-flow filtration modulus against 55 volumes of distilled water. This modification in the protocol resulted in improved magnetic nanoparticles with measurably higher mass transfer enhancement. Magnetic nanoparticles with oleic acid and Hitenol-BC coating were screened for oxygen transfer enhancement, since these particles are relatively inexpensive and easy to synthesize. A glass 0.5-liter reactor was custom manufactured specifically for oxygen transport studies in magnetic nanoparticles suspensions. The reactor geometry, baffles and Rushton impeller are of standard dimensions. Mass transfer tests were conducted through the use of the sulphite oxidation method, applying iodometric back-titration. A 3-factor central composite circumscribed design (CCD) was adopted for design of experiments in order to generate sufficiently informative data to model the effect of magnetic

Multicomponent mass transport model: a model for simulating migration of radionuclides in ground water

International Nuclear Information System (INIS)

Washburn, J.F.; Kaszeta, F.E.; Simmons, C.S.; Cole, C.R.

1980-07-01

This report presents the results of the development of a one-dimensional radionuclide transport code, MMT2D (Multicomponent Mass Transport), for the AEGIS Program. Multicomponent Mass Transport is a numerical solution technique that uses the discrete-parcel-random-wald (DPRW) method to directly simulate the migration of radionuclides. MMT1D accounts for: convection;dispersion; sorption-desorption; first-order radioactive decay; and n-membered radioactive decay chains. Comparisons between MMT1D and an analytical solution for a similar problem show that: MMT1D agrees very closely with the analytical solution; MMT1D has no cumulative numerical dispersion like that associated with solution techniques such as finite differences and finite elements; for current AEGIS applications, relatively few parcels are required to produce adequate results; and the power of MMT1D is the flexibility of the code in being able to handle complex problems for which analytical solution cannot be obtained. Multicomponent Mass Transport (MMT1D) codes were developed at Pacific Northwest Laboratory to predict the movement of radiocontaminants in the saturated and unsaturated sediments of the Hanford Site. All MMT models require ground-water flow patterns that have been previously generated by a hydrologic model. This report documents the computer code and operating procedures of a third generation of the MMT series: the MMT differs from previous versions by simulating the mass transport processes in systems with radionuclide decay chains. Although MMT is a one-dimensional code, the user is referred to the documentation of the theoretical and numerical procedures of the three-dimensional MMT-DPRW code for discussion of expediency, verification, and error-sensitivity analysis

Simplified semi-analytical model for mass transport simulation in unsaturated zone

International Nuclear Information System (INIS)

Sa, Bernadete L. Vieira de; Hiromoto, Goro

2001-01-01

This paper describes a simple model to determine the flux of radionuclides released from a concrete vault repository and its implementation through the development of a computer program. The radionuclide leach rate from waste is calculated using a model based on simple first order kinetics and the transport through porous media bellow the waste is determined using a semi-analytical solution of the mass transport equation. Results obtained in the IAEA intercomparison program are also related in this communication. (author)

Performance of intact and partially degraded concrete barriers in limiting mass transport

International Nuclear Information System (INIS)

Walton, J.C.

1992-06-01

Mass transport through concrete barriers and release rate from concrete vaults are quantitatively evaluated. The thorny issue of appropriate diffusion coefficients for use in performance assessment calculations is covered, with no ultimate solution found. Release from monolithic concrete vaults composed of concrete waste forms is estimated with a semi-analytical solution. A parametric study illustrates the importance of different parameters on release. A second situation of importance is the role of a concrete shell or vault placed around typical waste forms in limiting mass transport. In both situations, the primary factor controlling concrete performance is cracks. The implications of leaching behavior on likely groundwater concentrations is examined. Frequently, lower groundwater concentrations can be expected in the absence of engineered covers that reduce infiltration

Mass transport in Ti0.5Sb2Te3 phase-change nanobridge

International Nuclear Information System (INIS)

Ji, Xinglong; Wu, Liangcai; Lv, Shilong; Rao, Feng; Zhu, Min; Song, Zhitang; Zhou, Xilin; Feng, Songlin

2014-01-01

Investigation of atomic migration behavior in nanoscale phase-change material is very valuable for phase-change memory applications. In this work, Ti 0.5 Sb 2 Te 3 -based phase-change nanobridges were fabricated and mass transport by atomic migration was studied. A 3-D finite-element simulation on the electrothermal field was introduced to describe the electrothermal environment in the phase-change region. During the nanosecond operation, an obvious compositional distribution resulting from atomic migration was observed in the Ti 0.5 Sb 2 Te 3 phase-change nanobridge. Based on the mass continuity equation, a physical model for mass transport is proposed to illustrate that the density variation during the amorphous-to-crystalline structural transformation is the main reason for the atomic migration in nanoscale Ti 0.5 Sb 2 Te 3 phase-change material

Mass transport and chloride ion complexes in occluded cell

International Nuclear Information System (INIS)

Tsuru, T.; Hashimoto, K.; Nishikata, A.; Haruyama, S.

1989-01-01

Changes in the transport and the concentration of ions in a model occluded cell are traced during galvanostatic anodic polarization of a mild steel and a stainless steel. Apparent transport numbers of anions and cations, which were estimated from chemical analysis of solution, were different from those calculated from known mobility data. At the initial stage of the polarization, the transport number of chloride ion was almost unity, and then decreased gradually. For the mild steel, the concentration of total chloride ion accumulated in the occluded compartment increased with the anodic charge passed, and the amount of chloride ion complexed with cations also increased. The chloride complex was estimated as FeCl + . For SUS304 stainless steel, the total chloride ion increased, however, the free chloride ion, which responded to an Ag/AgCl electrode remained approximately 2 mol/dm 3 . Therefore, most of the chloride ions transferred into the occluded cell formed complex ions, such as CrCl n 3-n . The number of chloride ion coordinated to ferrous and chromic ions was estimated from the data fo mass transport for the case of the mild steel and the stainless steel. (author) 9 refs., 14 figs

Mass and charge transport in micro and nanofluidic channels

DEFF Research Database (Denmark)

Mortensen, Niels Asger; Olesen, Laurits Højgaard; Okkels, Fridolin

2007-01-01

and charge transport coefficients that satisfy Onsager relations. In the limit of nonoverlapping Debye layers the transport coefficients are simply expressed in terms of parameters of the electrolyte as well as the hydraulic radiusR ¼ 2A=P with Aand P being the cross-sectional area and perimeter......, respectively. In particular, we consider the limits of thin nonoverlapping as well as strongly overlapping Debye layers, respectively, and calculate the corrections to the hydraulic resistance due to electrohydrodynamic interactions.......We consider laminar flow of incompressible electrolytes in long, straight channels driven by pressure and electroosmosis. We use aHilbert space eigenfunction expansion to address the general problem of an arbitrary cross section and obtain general results in linear-response theory for the mass...

Flow regime, void fraction and interfacial area transport and characteristics of co-current downward two-phase flow

Energy Technology Data Exchange (ETDEWEB)

Lokanathan, Manojkumar [School of Mechanical Engineering, Purdue University, 585 Purdue Mall, West Lafayette, IN 47907-2088 (United States); Hibiki, Takashi [School of Nuclear Engineering, Purdue University, 400 Central Drive, West Lafayette, IN 47907-2017 (United States)

2016-10-15

Highlights: • Downward flow regime maps and models were studied for 25.4 to 101.6 mm pipe diameters. • Effect of flow inlet on flow transition, void & interfacial area profile were studied. • Bubble void profiles were associated with the interfacial forces for downward flow. • Flow regime pressure drop and interfacial friction factor were studied. • The most applicable and accurate downward drift-flux correlation was determined. - Abstract: Downward two-phase flow is observed in light water reactor accident scenarios such as loss of coolant accident (LOCA) and loss of heat sink accident (LOHS) due to loss of feed water or a secondary pipe break. Hence, a comprehensive literature review has been performed for the co-current downward two-phase flow with information on the flow regime transitions and flow characteristics for each regime in the downward flow. The review compares the experimental data of the flow regime map and the current available transition models. Objectivity of the data varies on the method utilized as a certain degree of subjectivity is still present in the most objective method. Nevertheless, experimental data through subjective methods such as direct visualization or analysis of a wire mesh sensor (WMS) data were still studied in this review. Despite the wide range of flow regime data for numerous pipe sizes, a consensus was not reached for the effect of pipe sizes on flow regime transition. However, it is known that a larger pipe results in greater degree of coalescence at lower gas flow rates (Hibiki et al., 2004). The introduction of a flow straightener at the inlet led to less coring and fluid rotation and inevitably, reduced bubble coalescence. This also resulted in the disappearance of the kinematic shock wave phenomenon, contrary to an inlet without a flow straightener. The effect of flow inlet, flow location, pipe diameter and bubble interfacial forces on the radial distribution as well as bubble coalescence and breakup rate

Interfacial Energy and Fine Defect Structures for Incoherent Films

OpenAIRE

Cermelli, Paolo; Gurtin, Morton E.; Leoni, Giovanni

1999-01-01

This note summarizes recent results in which modern techniques of the calculus of variations are used to obtain qualitative features of film-substrate interfaces for a broad class of interfacial energies. In particular, we show that the existence of a critical thickness for incoherency and the formation of interfacial dislocations depend strongly on the convexity and smoothness of the interfacial energy function.

Interfacial Tension and Surface Pressure of High Density Lipoprotein, Low Density Lipoprotein, and Related Lipid Droplets

DEFF Research Database (Denmark)

Ollila, O. H. S.; Lamberg, A.; Lehtivaara, M.

2012-01-01

) are essentially lipid droplets surrounded by specific proteins, their main function being to transport cholesterol. Interfacial tension and surface pressure of these particles are of great interest because they are related to the shape and the stability of the droplets and to protein adsorption at the interface....... Here we use coarse-grained molecular-dynamics simulations to consider a number of related issues by calculating the interfacial tension in protein-free lipid droplets, and in HDL and LDL particles mimicking physiological conditions. First, our results suggest that the curvature dependence......Lipid droplets play a central role in energy storage and metabolism on a cellular scale. Their core is comprised of hydrophobic lipids covered by a surface region consisting of amphiphilic lipids and proteins. For example, high and low density lipoproteins (HDL and LDL, respectively...

Interannual variability of mass transport in the Canary region from LADCP data

Science.gov (United States)

Comas-Rodríguez, Isis; Hernández-Guerra, Alonso; Vélez-Belchí, Pedro; Fraile-Nuez, Eugenio

2010-05-01

The variability of the Canary Current is a widely studied topic regarding its role as eastern boundary of the North Atlantic Subtropical Gyre. The Canary region provides indeed an interesting study area in terms of estimating variability scales of the Subtropical Gyre as well as the water masses dynamics. RAPROCAN (RAdial PROfunda de CANarias - Canary deep hydrographic section) is a project based on the reaching of these goals through the obtaining of hydrographic measures during cruises taking place approximately along 29°N, to the North of the Canary Archipelago, twice a year since 2006. The full depth sampling carried out allows the study of temperature and salinity distribution and the calculation of mass transports across the section. The transport estimates are compared to those obtained from previous measurements and estimates in the region. Therefore, transports and their variability through the last decade are quantified. The most significant advance made to previous works is the use of LADCP (Lowered Acoustic Doppler Current Profiler) data informing the initial geostrophic calculations. Thus, corrections are applied to each geostrophic profile considering the reference velocity obtained from LADCP data. ADCP-referenced transport estimates are obtained, providing a successful comparison between the velocity fields obtained from the hydrographic measures. While this work shows the interannual variability observed in winter since 1997, preliminary results confirm previous hypotheses about the magnitude of the Canary Current. Those results including LADCP data also provide new aspects in the circulation distribution across the Canary Archipelago. Also moored current meter data were taken into account in the up close study of the Current through the Lanzarote Passage. Interesting conclusions were drawn that certify the usefulness of LADCP data in referencing geostrophic calculations, while corroborating the results obtained through this methodology. Hence

Controlling Interfacial Separation in Porous Structures by Void Patterning

Science.gov (United States)

Ghareeb, Ahmed; Elbanna, Ahmed

Manipulating interfacial response for enhanced adhesion or fracture resistance is a problem of great interest to scientists and engineers. In many natural materials and engineering applications, an interface exists between a porous structure and a substrate. A question that arises is how the void distribution in the bulk may affect the interfacial response and whether it is possible to alter the interfacial toughness without changing the surface physical chemistry. In this paper, we address this question by studying the effect of patterning voids on the interfacial-to-the overall response of an elastic plate glued to a rigid substrate by bilinear cohesive material. Different patterning categories are investigated; uniform, graded, and binary voids. Each case is subjected to upward displacement at the upper edge of the plate. We show that the peak force and maximum elongation at failure depend on the voids design and by changing the void size, alignment or gradation we may control these performance measures. We relate these changes in the measured force displacement response to energy release rate as a measure of interfacial toughness. We discuss the implications of our results on design of bulk heterogeneities for enhanced interfacial behavior.

Interfacial potential approach for Ag/ZnO (0001) interfaces

International Nuclear Information System (INIS)

Song Hong-Quan; Shen Jiang; Qian Ping; Chen Nan-Xian

2014-01-01

Systematic approaches are presented to extract the interfacial potentials from the ab initio adhesive energy of the interface system by using the Chen—Möbius inversion method. We focus on the interface structure of the metal (111)/ZnO (0001) in this work. The interfacial potentials of Ag—Zn and Ag—O are obtained. These potentials can be used to solve some problems about Ag/ZnO interfacial structure. Three metastable interfacial structures are investigated in order to check these potentials. Using the interfacial potentials we study the procedure of interface fracture in the Ag/ZnO (0001) interface and discuss the change of the energy, stress, and atomic structures in tensile process. The result indicates that the exact misfit dislocation reduces the total energy and softens the fracture process. Meanwhile, the formation and mobility of the vacancy near the interface are observed. (condensed matter: structural, mechanical, and thermal properties)

A correction technique for the dispersive effects of mass lumping for transport problems

KAUST Repository

Guermond, Jean-Luc

2013-01-01

This paper addresses the well-known dispersion effect that mass lumping induces when solving transport-like equations. A simple anti-dispersion technique based on the lumped mass matrix is proposed. The method does not require any non-trivial matrix inversion and has the same anti-dispersive effects as the consistent mass matrix. A novel quasi-lumping technique for P2 finite elements is introduced. Higher-order extensions of the method are also discussed. © 2012 Elsevier B.V.

Computer codes for three dimensional mass transport with non-linear sorption

International Nuclear Information System (INIS)

Noy, D.J.

1985-03-01

The report describes the mathematical background and data input to finite element programs for three dimensional mass transport in a porous medium. The transport equations are developed and sorption processes are included in a general way so that non-linear equilibrium relations can be introduced. The programs are described and a guide given to the construction of the required input data sets. Concluding remarks indicate that the calculations require substantial computer resources and suggest that comprehensive preliminary analysis with lower dimensional codes would be important in the assessment of field data. (author)

The analysis of interfacial waves

International Nuclear Information System (INIS)

Galimov, Azat Yu.; Drew, Donald A.; Lahey, Richard T.; Moraga, Francisco J.

2005-01-01

We present analytical results for stable stratified wavy two-phase flow and functional forms for the various interfacial force densities in a two-fluid model. In particular, we have derived analytically the components of the non-drag interfacial force density [Drew, D.A., Passman, S.L., 1998. Theory of Multicomponent Fluids. Springer-Verlag, New York; Nigmatulin, T.R., Drew, D.A., Lahey, R.T., Jr., 2000. An analysis of wavy annular flow. In: International Conference on Multiphase Systems, ICMS'2000, Ufa, Russia, June 15-17], Reynolds stress tensor, and the term, (p-bar cl i -p-bar cl )-bar α cl , where p-bar cl i is interfacial average pressure, p-bar cl the average pressure, and α cl is the volume fraction of the continuous liquid phase. These functional forms should be useful for assessing two-fluid closure relations and Computational Multiphase Fluid Dynamics (CMFD) numerical models for stratified wavy flows. Moreover, it appears that this approach can be generalized to other flow regimes (e.g., annular flows)

Exchange bias mediated by interfacial nanoparticles (invited)

Energy Technology Data Exchange (ETDEWEB)

Berkowitz, A. E., E-mail: aberk@ucsd.edu [Department of Physics, University of California, San Diego, La Jolla, California 92093 (United States); Center for Magnetic Recording Research, University of California, California 92093 (United States); Sinha, S. K. [Department of Physics, University of California, San Diego, La Jolla, California 92093 (United States); Fullerton, E. E. [Center for Magnetic Recording Research, University of California, California 92093 (United States); Smith, D. J. [Department of Physics, Arizona State University, Tempe, Arizona 85287 (United States)

2015-05-07

The objective of this study on the iconic exchange-bias bilayer Permalloy/CoO has been to identify those elements of the interfacial microstructure and accompanying magnetic properties that are responsible for the exchange-bias and hysteretic properties of this bilayer. Both epitaxial and polycrystalline samples were examined. X-ray and neutron reflectometry established that there existed an interfacial region, of width ∼1 nm, whose magnetic properties differed from those of Py or CoO. A model was developed for the interfacial microstructure that predicts all the relevant properties of this system; namely; the temperature and Permalloy thickness dependence of the exchange-bias, H{sub EX}, and coercivity, H{sub C}; the much smaller measured values of H{sub EX} from what was nominally expected; the different behavior of H{sub EX} and H{sub C} in epitaxial and polycrystalline bilayers. A surprising result is that the exchange-bias does not involve direct exchange-coupling between Permalloy and CoO, but rather is mediated by CoFe{sub 2}O{sub 4} nanoparticles in the interfacial region.

Probing Interfacial Water on Nanodiamonds in Colloidal Dispersion.

Science.gov (United States)

Petit, Tristan; Yuzawa, Hayato; Nagasaka, Masanari; Yamanoi, Ryoko; Osawa, Eiji; Kosugi, Nobuhiro; Aziz, Emad F

2015-08-06

The structure of interfacial water layers around nanoparticles dispersed in an aqueous environment may have a significant impact on their reactivity and on their interaction with biological species. Using transmission soft X-ray absorption spectroscopy in liquid, we demonstrate that the unoccupied electronic states of oxygen atoms from water molecules in aqueous colloidal dispersions of nanodiamonds have a different signature than bulk water. X-ray absorption spectroscopy can thus probe interfacial water molecules in colloidal dispersions. The impacts of nanodiamond surface chemistry and concentration on interfacial water electronic signature are discussed.

A molecular dynamics study of thermal transport in nanoparticle doped Argon like solid

Energy Technology Data Exchange (ETDEWEB)

Shahadat, Muhammad Rubayat Bin, E-mail: rubayat37@gmail.com; Ahmed, Shafkat; Morshed, A. K. M. M. [Department of Mechanical Engineering Bangladesh University of Engineering and Technology (BUET) Dhaka (Bangladesh)

2016-07-12

Interfacial phenomena such as mass and type of the interstitial atom, nano scale material defect influence heat transfer and the effect become very significant with the reduction of the material size. Non Equilibrium Molecular Dynamics (NEMD) simulation was carried out in this study to investigate the effect of the interfacial phenomena on solid. Argon like solid was considered in this study and LJ potential was used for atomic interaction. Nanoparticles of different masses and different molecular defects were inserted inside the solid. From the molecular simulation, it was observed that a large interfacial mismatch due to change in mass in the homogenous solid causes distortion of the phonon frequency causing increase in thermal resistance. Position of the doped nanoparticles have more profound effect on the thermal conductivity of the solid whereas influence of the mass ratio is not very significant. Interstitial atom positioned perpendicular to the heat flow causes sharp reduction in thermal conductivity. Structural defect caused by the molecular defect (void) also observed to significantly affect the thermal conductivity of the solid.

Traffic lanes for vehicles of mass public passenger transport on city streets

Directory of Open Access Journals (Sweden)

Gladović Pavle V.

2015-01-01

Full Text Available Some of the basic measures of regulating public mass passenger transport in a city network are the introduction and management of traffic lanes reserved for the public transportation. These traffic lanes are important for several reasons: faster moving and shorter travelling time for the vehicles, reducing operating costs, improving the safety, increasing passenger comfort, maintaining of the timetable quality, etc. In most cities, an intensive use of the public transport is concentrated in the morning and the afternoon peak period. The state of the public transport system during these periods is reflected in the crowds inside the vehicles, long vehicle queues at intersections and at bus stops, which cause congestion on the streets and result in delays of public transport vehicles. This paper provides an overview of the current situation on an example in the city of Belgrade. The capacity and the quality of service for the street surfaces reserved for the public transportation vehicles were analysed on the aforementioned example.

Scaling of interfacial jump conditions

International Nuclear Information System (INIS)

Quezada G, S.; Vazquez R, A.; Espinosa P, G.

2015-09-01

To model the behavior of a nuclear reactor accurately is needed to have balance models that take into account the different phenomena occurring in the reactor. These balances have to be coupled together through boundary conditions. The boundary conditions have been studied and different treatments have been given to the interface. In this paper is a brief description of some of the interfacial jump conditions that have been proposed in recent years. Also, the scaling of an interfacial jump condition is proposed, for coupling the different materials that are in contact within a nuclear reactor. (Author)

Nanoscale interfacial defect shedding in a growing nematic droplet.

Science.gov (United States)

Gurevich, Sebastian; Provatas, Nikolas; Rey, Alejandro

2017-08-01

Interfacial defect shedding is the most recent known mechanism for defect formation in a thermally driven isotropic-to-nematic phase transition. It manifests in nematic-isotropic interfaces going through an anchoring switch. Numerical computations in planar geometry established that a growing nematic droplet can undergo interfacial defect shedding, nucleating interfacial defect structures that shed into the bulk as +1/2 point defects. By extending the study of interfacial defect shedding in a growing nematic droplet to larger length and time scales, and to three dimensions, we unveil an oscillatory growth mode involving shape and anchoring transitions that results in a controllable regular distributions of point defects in planar geometry, and complex structures of disclination lines in three dimensions.

Mass transport in non crystalline metallic alloys

International Nuclear Information System (INIS)

Limoge, Y.

1986-08-01

In order to improve our understanding of mass transport in non crystalline metallic alloys we have developed indirect studies of diffusion based on electron irradiation and hydrostatic pressure effects upon crystallization. In a first part we present the models of crystallization which are used, then we give the experimental results. The main point is the first experimental measurement of the activation volume for diffusion in a metallic glass: the value of which is roughly one atomic volume. We show also recent quantitative results concerning radiation enhanced diffusion in metallic glasses (FeNi) 8 (PB) 2 and Ni 6 Nb 4 . In a last part we discuss the atomic model needed to explain our results

Kinematics of Mass Transport Deposits revealed by magnetic fabrics

Science.gov (United States)

Weinberger, R.; Levi, T.; Alsop, G. I.; Marco, S.

2017-08-01

The internal deformation and movement directions of Mass Transport Deposits (MTDs) are key factors in understanding the kinematics and dynamics of their emplacement. Although these are relatively easy to recover from well-bedded sediments, they are more difficult to deduce from massive beds without visible strain markers. In order to test the applicability of using anisotropy of magnetic susceptibility (AMS) to determine MTD movement, we compare AMS fabrics, with structural measurements of visible kinematic indicators. Our case study involves the structural analysis of slumped lake sediments extensively exposed in MTDs within the Dead Sea Basin. Structural analyses of MTDs outcropping for >100 km reveal radial transport directions toward the basin depocenter. We show that the AMS fabrics display the same transport directions as inferred from structural analyses. Based on this similarity, we outline a robust procedure to obtain the transport direction of slumped MTDs from AMS fabrics. Variations in the magnetic fabrics and anisotropies in fold-thrust systems within the slumps match the various structural domains. We therefore suggest that magnetic fabrics and anisotropy variations in drill cores may reflect internal deformation within the slumps rather than different slumps. Obtaining magnetic fabrics from MTDs provides a viable way to infer the transport directions and internal deformation of MTDs and reconstruct the basin depocenter in ancient settings. The present results also have implications beyond the kinematics of MTDs, as their geometry resembles fold-thrust systems in other geological settings, scales, and tectonic environments.

A development of multi-Species mass transport model considering thermodynamic phase equilibrium

DEFF Research Database (Denmark)

Hosokawa, Yoshifumi; Yamada, Kazuo; Johannesson, Björn

2008-01-01

) variation in solid-phase composition when using different types of cement, (ii) physicochemical evaluation of steel corrosion initiation behaviour by calculating the molar ratio of chloride ion to hydroxide ion [Cl]/[OH] in pore solution, (iii) complicated changes of solid-phase composition caused......In this paper, a multi-species mass transport model, which can predict time dependent variation of pore solution and solid-phase composition due to the mass transport into the hardened cement paste, has been developed. Since most of the multi-species models established previously, based...... on the Poisson-Nernst-Planck theory, did not involve the modeling of chemical process, it has been coupled to thermodynamic equilibrium model in this study. By the coupling of thermodynamic equilibrium model, the multi-species model could simulate many different behaviours in hardened cement paste such as: (i...

Wave-induced mass transport affects daily Escherichia coli fluctuations in nearshore water

Science.gov (United States)

Ge, Zhongfu; Whitman, Richard L.; Nevers, Meredith B.; Phanikumar, Mantha S.

2012-01-01

Characterization of diel variability of fecal indicator bacteria concentration in nearshore waters is of particular importance for development of water sampling standards and protection of public health. Significant nighttime increase in Escherichia coli (E. coli) concentration in beach water, previously observed at marine sites, has also been identified in summer 2000 from fixed locations in waist- and knee-deep waters at Chicago 63rd Street Beach, an embayed, tideless, freshwater beach with low currents at night (approximately 0.015 m s–1). A theoretical model using wave-induced mass transport velocity for advection was developed to assess the contribution of surface waves to the observed nighttime E. coli replenishment in the nearshore water. Using average wave conditions for the summer season of year 2000, the model predicted an amount of E. coli transported from water of intermediate depth, where sediment resuspension occurred intermittently, that would be sufficient to have elevated E. coli concentration in the surf and swash zones as observed. The nighttime replenishment of E. coli in the surf and swash zones revealed here is an important phase in the cycle of diel variations of E. coli concentration in nearshore water. According to previous findings in Ge et al. (Environ. Sci. Technol. 2010, 44, 6731–6737), enhanced current circulation in the embayment during the day tends to displace and deposit material offshore, which partially sets up the system by the early evening for a new period of nighttime onshore movement. This wave-induced mass transport effect, although facilitating a significant base supply of material shoreward, can be perturbed or significantly influenced by high currents (orders of magnitude larger than a typical wave-induced mass transport velocity), current-induced turbulence, and tidal forcing.

Interfacial friction in low flowrate vertical annular flow

International Nuclear Information System (INIS)

Kelly, J.M.; Freitas, R.L.

1993-01-01

During boil-off and reflood transients in nuclear reactors, the core liquid inventory and inlet flowrate are largely determined by the interfacial friction in the reactor core. For these transients, annular flow occurs at relatively modest liquid flowrates and at the low heat fluxes typical of decay heat conditions. The resulting low vapor Reynolds numbers, are out of the data range used to develop the generally accepted interfacial friction relations for annular flow. In addition, most existing annular flow data comes from air/liquid adiabatic experiments with fully developed flows. By contrast, in a reactor core, the flow is continuously developing along the heated length as the vapor flowrate increases and the flow regimes evolve from bubbly to annular flow. Indeed, the entire annular flow regime may exist only over tens of L/D's. Despite these limitations, many of the advanced reactor safety analysis codes employ the Wallis model for interfacial friction in annular flow. Our analyses of the conditions existing at the end-of-reflood in the PERICLES tests have indicated that the Wallis model seriously underestimates the interfacial shear for low vapor velocity cocurrent upflow. To extend the annular flow data base to diabatic low flowrate conditions, the DADINE tests were re-analyzed. In these tests, both pressure drop and local cross-section averaged void fractions were measured. Thus, both the wall and interfacial shear can be deduced. Based on the results of this analysis, a new correlation is proposed for interfacial friction in annular flow. (authors). 5 figs., 12 refs

Cellular automaton model of coupled mass transport and chemical reactions

International Nuclear Information System (INIS)

Karapiperis, T.

1994-01-01

Mass transport, coupled with chemical reactions, is modelled as a cellular automaton in which solute molecules perform a random walk on a lattice and react according to a local probabilistic rule. Assuming molecular chaos and a smooth density function, we obtain the standard reaction-transport equations in the continuum limit. The model is applied to the reactions a + b ↔c and a + b →c, where we observe interesting macroscopic effects resulting from microscopic fluctuations and spatial correlations between molecules. We also simulate autocatalytic reaction schemes displaying spontaneous formation of spatial concentration patterns. Finally, we propose and discuss the limitations of a simple model for mineral-solute interaction. (author) 5 figs., 20 refs

Influence of Capillary Condensation Effects on Mass Transport through Porous Membranes

Czech Academy of Sciences Publication Activity Database

Uchytil, Petr; Petričkovič, Roman; Thomas, S.; Siedel-Morgenstern, A.

2003-01-01

Roč. 33, č. 3 (2003), s. 273-281 ISSN 1383-5866 R&D Projects: GA ČR GA104/01/0945 Institutional research plan: CEZ:AV0Z4072921 Keywords : capillary condensation * mass transport * gas separation Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 1.355, year: 2003

Benchmarking of electrolyte mass transport in next generation lithium batteries

Directory of Open Access Journals (Sweden)

Jonas Lindberg

2017-12-01

Full Text Available Beyond conductivity and viscosity, little is often known about the mass transport properties of next generation lithium battery electrolytes, thus, making performance estimation uncertain when concentration gradients are present, as conductivity only describes performance in the absence of these gradients. This study experimentally measured the diffusion resistivity, originating from voltage loss due to a concentration gradient, together with the ohmic resistivity, obtained from ionic conductivity measurements, hence, evaluating electrolytes both with and without the presence of concentration gradients. Under galvanostatic conditions, the concentration gradients, of all electrolytes examined, developed quickly and the diffusion resistivity rapidly dominated the ohmic resistivity. The electrolytes investigated consisted of lithium salt in: room temperature ionic liquids (RTIL, RTIL mixed organic carbonates, dimethyl sulfoxide (DMSO, and a conventional Li-ion battery electrolyte. At steady state the RTIL electrolytes displayed a diffusion resistivity ~ 20 times greater than the ohmic resistivity. The DMSO-based electrolyte showed mass transport properties similar to the conventional Li-ion battery electrolyte. In conclusion, the results presented in this study show that the diffusion polarization must be considered in applications where high energy and power density are desired.

Interfacial crystalline structures in injection over-molded polypropylene and bond strength.

Science.gov (United States)

Yan, Bowen; Wu, Hong; Jiang, Genjie; Guo, Shaoyun; Huang, Jian

2010-11-01

This paper describes interfacial crystalline structures found in injection overmolded polypropylene components and the relationship of these structures to bond strength between the components. The combined effects of the development of hierarchical gradient structures and the particular thermomechanical environment near the interface on the interfacial crystalline structures were investigated in detail by PLM, SEM, DSC, WAXD, and infrared dichroism spectroscopy. The experimental results showed that during molding there was competitive formation of interfacial crystalline structures consisted of "shish-kebab" layer (SKL) and a transcrystalline layers (TCL). Variation in shear stress (controlled by injection pressure and injection speed) plays an important role in the formation of the SKL. The formation of TCL is influenced by the thermal environment, namely melt temperature and mold temperature. Increasing within certain limits, interfacial temperature and the thermal gradient near the interface promotes β-iPP growth. The relationship between interfacial crystalline structures and interfacial bond strength was established by lap shear measurement. The interfacial bond strength is improved by enhancing the formation of TCL, but reduced if SKL predominates.

Microfluidic ultralow interfacial tensiometry with magnetic particles.

Science.gov (United States)

Tsai, Scott S H; Wexler, Jason S; Wan, Jiandi; Stone, Howard A

2013-01-07

We describe a technique that measures ultralow interfacial tensions using paramagnetic spheres in a co-flow microfluidic device designed with a magnetic section. Our method involves tuning the distance between the co-flowing interface and the magnet's center, and observing the behavior of the spheres as they approach the liquid-liquid interface-the particles either pass through or are trapped by the interface. Using threshold values of the magnet-to-interface distance, we make estimates of the two-fluid interfacial tension. We demonstrate the effectiveness of this technique for measuring very low interfacial tensions, O(10(-6)-10(-5)) N m(-1), by testing solutions of different surfactant concentrations, and we show that our results are comparable with measurements made using a spinning drop tensiometer.

Effect of modified polypropylene on the interfacial bonding of polymer–aluminum laminated films

International Nuclear Information System (INIS)

Liang, Chang-Sheng; Lv, Zhong-Fei; Bo, Yang; Cui, Jia-Yang; Xu, Shi-Ai

2015-01-01

Highlights: • Aluminium-polymer composite packing material with high T-peel strength was prepared. • Polypropylene was grafted by acrylic acid, glycidyl methacrylate, maleic anhydride. • Grafted polypropylene greatly improved the T-peel strength. • Chemical bonding plays an important role in improving the adhesion strength. - Abstract: The interfacial bonding between functionalized polymers and chromate–phosphate treated aluminum (Al) foil were investigated in this study. Glycidyl methacrylate (GMA), acrylic acid (AA) and maleic anhydride (MAH) were grafted onto polypropylene (PP) to improve its adhesion strength with the treated Al foil. The interfacial peel strength was evaluated by the T-peel test, and the results showed that modification of PP resulted in a significant improvement in the interfacial peel strength from 1 N/15 mm for pure PP to 10–14 N/15 mm for the modified PP. The surface chemistry, topography and surface energy of the modified PP and Al foil after peeling were characterized by time-of-flight secondary ion mass spectrometry (TOF-SIMS), X-ray photoelectron spectroscopy (XPS), attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), scanning electron microscopy (SEM) and contact angle measurement. The treated Al foil could react with the functional groups of PP, resulting in the formation of new carboxylates. The new chemical bonding rather than the mechanical interlocking contributed to the improvement of adhesion strength

Effects of reservoir heterogeneity on scaling of effective mass transfer coefficient for solute transport

Science.gov (United States)

Leung, Juliana Y.; Srinivasan, Sanjay

2016-09-01

Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It

Interfacial patterns in magnetorheological fluids: Azimuthal field-induced structures.

Science.gov (United States)

Dias, Eduardo O; Lira, Sérgio A; Miranda, José A

2015-08-01

Despite their practical and academic relevance, studies of interfacial pattern formation in confined magnetorheological (MR) fluids have been largely overlooked in the literature. In this work, we present a contribution to this soft matter research topic and investigate the emergence of interfacial instabilities when an inviscid, initially circular bubble of a Newtonian fluid is surrounded by a MR fluid in a Hele-Shaw cell apparatus. An externally applied, in-plane azimuthal magnetic field produced by a current-carrying wire induces interfacial disturbances at the two-fluid interface, and pattern-forming structures arise. Linear stability analysis, weakly nonlinear theory, and a vortex sheet approach are used to access early linear and intermediate nonlinear time regimes, as well as to determine stationary interfacial shapes at fully nonlinear stages.

Cerebrospinal and interstitial fluid transport via the glymphatic pathway modeled by optimal mass transport.

Science.gov (United States)

Ratner, Vadim; Gao, Yi; Lee, Hedok; Elkin, Rena; Nedergaard, Maiken; Benveniste, Helene; Tannenbaum, Allen

2017-05-15

The glymphatic pathway is a system which facilitates continuous cerebrospinal fluid (CSF) and interstitial fluid (ISF) exchange and plays a key role in removing waste products from the rodent brain. Dysfunction of the glymphatic pathway may be implicated in the pathophysiology of Alzheimer's disease. Intriguingly, the glymphatic system is most active during deep wave sleep general anesthesia. By using paramagnetic tracers administered into CSF of rodents, we previously showed the utility of MRI in characterizing a macroscopic whole brain view of glymphatic transport but we have yet to define and visualize the specific flow patterns. Here we have applied an alternative mathematical analysis approach to a dynamic time series of MRI images acquired every 4min over ∼3h in anesthetized rats, following administration of a small molecular weight paramagnetic tracer into the CSF reservoir of the cisterna magna. We use Optimal Mass Transport (OMT) to model the glymphatic flow vector field, and then analyze the flow to find the network of CSF-ISF flow channels. We use 3D visualization computational tools to visualize the OMT defined network of CSF-ISF flow channels in relation to anatomical and vascular key landmarks from the live rodent brain. The resulting OMT model of the glymphatic transport network agrees largely with the current understanding of the glymphatic transport patterns defined by dynamic contrast-enhanced MRI revealing key CSF transport pathways along the ventral surface of the brain with a trajectory towards the pineal gland, cerebellum, hypothalamus and olfactory bulb. In addition, the OMT analysis also revealed some interesting previously unnoticed behaviors regarding CSF transport involving parenchymal streamlines moving from ventral reservoirs towards the surface of the brain, olfactory bulb and large central veins. Copyright © 2017. Published by Elsevier Inc.

Interfacial adhesion of laser clad functionally graded materials

NARCIS (Netherlands)

Pei, Y. T.; Ocelik, V.; De Hosson, J. T. M.

2003-01-01

Specially designed samples of laser clad AlSi40 functionally graded materials (FGM) are made for evaluating the interfacial adhesion. To obtain the interfacial bond strength notches are made right at the interface of the FGMs. In-situ microstructural observations during straining in a field-emission

Interfacial adhesion of laser clad functionally graded materials

NARCIS (Netherlands)

De Hosson, JTM; Pei, YT; Ocelik, [No Value; Sudarshan, TS; Stiglich, JJ; Jeandin, M

2002-01-01

Specially designed samples of laser clad AlSi40 functionally graded materials (FGM) are made for evaluating the interfacial adhesion. To obtain the interfacial bond strength notches are made right at the interface of the FGMs. In-sitit microstructural observations during straining in an FEG-ESEM

MASS TRANSPORT AND TURBULENCE IN GRAVITATIONALLY UNSTABLE DISK GALAXIES. II. THE EFFECTS OF STAR FORMATION FEEDBACK

Energy Technology Data Exchange (ETDEWEB)

Goldbaum, Nathan J. [National Center for Supercomputing Applications, University of Illinois at Urbana-Champaign, 1205 W. Clark St., Urbana, IL 61801 (United States); Krumholz, Mark R. [Research School of Astronomy and Astrophysics, Australian National University, Canberra, ACT 2601 (Australia); Forbes, John C., E-mail: ngoldbau@illinois.edu [Department of Astronomy and Astrophysics, University of California, Santa Cruz, CA 95064 (United States)

2016-08-10

Self-gravity and stellar feedback are capable of driving turbulence and transporting mass and angular momentum in disk galaxies, but the balance between them is not well understood. In the previous paper in this series, we showed that gravity alone can drive turbulence in galactic disks, regulate their Toomre Q parameters to ∼1, and transport mass inwards at a rate sufficient to fuel star formation in the centers of present-day galaxies. In this paper we extend our models to include the effects of star formation feedback. We show that feedback suppresses galaxies’ star formation rates by a factor of ∼5 and leads to the formation of a multi-phase atomic and molecular interstellar medium. Both the star formation rate and the phase balance produced in our simulations agree well with observations of nearby spirals. After our galaxies reach steady state, we find that the inclusion of feedback actually lowers the gas velocity dispersion slightly compared to the case of pure self-gravity, and also slightly reduces the rate of inward mass transport. Nevertheless, we find that, even with feedback included, our galactic disks self-regulate to Q ∼ 1, and transport mass inwards at a rate sufficient to supply a substantial fraction of the inner disk star formation. We argue that gravitational instability is therefore likely to be the dominant source of turbulence and transport in galactic disks, and that it is responsible for fueling star formation in the inner parts of galactic disks over cosmological times.

Interfacial shear stress in stratified flow in a horizontal rectangular duct

International Nuclear Information System (INIS)

Lorencez, C.; Kawaji, M.; Murao, Y.

1995-01-01

Interfacial shear stress has been experimentally examined for both cocurrent and countercurrent stratified wavy flows in a horizontal interfacial shear stress from the measurements were examined and the results have been compared with existing correlations. Some differences were found in the estimated interfacial shear stress from the measurements were examined and the results have been compared with existing correlations. Some differences were found in the estimated interfacial shear stress values at high gas flow rates which could be attributed to the assumptions and procedures involved in each method. The interfacial waves and secondary motions were also found to have significant effects on the accuracy of Reynolds stress and turbulence kinetic energy extrapolation methods

Interfacial shear stress in stratified flow in a horizontal rectangular duct

Energy Technology Data Exchange (ETDEWEB)

Lorencez, C.; Kawaji, M. [Univ. of Toronto (Canada); Murao, Y. [Tokushima Univ. (Japan)] [and others

1995-09-01

Interfacial shear stress has been experimentally examined for both cocurrent and countercurrent stratified wavy flows in a horizontal interfacial shear stress from the measurements were examined and the results have been compared with existing correlations. Some differences were found in the estimated interfacial shear stress from the measurements were examined and the results have been compared with existing correlations. Some differences were found in the estimated interfacial shear stress values at high gas flow rates which could be attributed to the assumptions and procedures involved in each method. The interfacial waves and secondary motions were also found to have significant effects on the accuracy of Reynolds stress and turbulence kinetic energy extrapolation methods.

Introduction to computational mass transfer with applications to chemical engineering

CERN Document Server

Yu, Kuo-Tsong

2014-01-01

This book presents a new computational methodology called Computational Mass Transfer (CMT). It offers an approach to rigorously simulating the mass, heat and momentum transfer under turbulent flow conditions with the help of two newly published models, namely the C’2—εC’ model and the Reynolds  mass flux model, especially with regard to predictions of concentration, temperature and velocity distributions in chemical and related processes. The book will also allow readers to understand the interfacial phenomena accompanying the mass transfer process and methods for modeling the interfacial effect, such as the influences of Marangoni convection and Rayleigh convection. The CMT methodology is demonstrated by means of its applications to typical separation and chemical reaction processes and equipment, including distillation, absorption, adsorption and chemical reactors. Professor Kuo-Tsong Yu is a Member of the Chinese Academy of Sciences. Dr. Xigang Yuan is a Professor at the School of Chemical Engine...

Transient interfacial tension and dilatational rheology of diffuse polymer-polymer interfaces

NARCIS (Netherlands)

Peters, G.W.M.; Zdravkov, A.N.; Meijer, H.E.H.

2005-01-01

We demonstrate the influence of molecular weight and molecular weightasymmetry across an interface on the transient behavior of the interfacial tension. The interfacial tension was measured as a function of time for a range of polymer combinations with a broadrange of interfacial properties using a

An improved interfacial bonding model for material interface modeling

Science.gov (United States)

Lin, Liqiang; Wang, Xiaodu; Zeng, Xiaowei

2016-01-01

An improved interfacial bonding model was proposed from potential function point of view to investigate interfacial interactions in polycrystalline materials. It characterizes both attractive and repulsive interfacial interactions and can be applied to model different material interfaces. The path dependence of work-of-separation study indicates that the transformation of separation work is smooth in normal and tangential direction and the proposed model guarantees the consistency of the cohesive constitutive model. The improved interfacial bonding model was verified through a simple compression test in a standard hexagonal structure. The error between analytical solutions and numerical results from the proposed model is reasonable in linear elastic region. Ultimately, we investigated the mechanical behavior of extrafibrillar matrix in bone and the simulation results agreed well with experimental observations of bone fracture. PMID:28584343

Modeling the effect of water vapor on the interfacial behavior of high-temperature air in contact with Fe20Cr surfaces

International Nuclear Information System (INIS)

Chialvo, Ariel A.; Brady, Michael P.; Keiser, James R.; Cole, David R.

2011-01-01

Highlights: → Atomistic view of the contrasting interfacial behavior between high-temperature dry- and wet-air in contact with stainless steels. → H 2 O preferentially adsorbs and displaces oxygen at the metal-fluid interface. → Findings are consistent with Ehlers et al.'s proposed competitive adsorption mechanism for the interpretation of the breakaway oxidation. → Significant impact of the inhomogeneous density distribution between the interfacial- and bulk-environments on the fluid transport. -- This work uses molecular dynamics simulation to provide an atomistic view of the contrasting interfacial behavior between high-temperature dry air and wet (10-40 vol.% water) air in contact with stainless steels. A key finding was that H 2 O preferentially adsorbs and displaces oxygen at the metal-fluid interface. We also discuss how these findings are consistent with Ehlers et al. proposed competitive adsorption mechanism for the interpretation of the breakaway oxidation, and highlight their impact on other properties.

The use of the dusty-gas model for the description of mass transport with chemical reaction in porous media

NARCIS (Netherlands)

Veldsink, J.W.; Veldsink, J.W.; van Damme, Rudolf M.J.; Versteeg, Geert; van Swaaij, Willibrordus Petrus Maria

1995-01-01

In the present study, mass transport accompanied by chemical reactions in porous media is studied according to the Fick model and the dusty-gas model. For mass transport accompanied by a chemical reaction in catalyst structures showing a plane, line, or point of symmetry, the approximate analytical

Drift effect and "negative" mass transport in an inhomogeneous medium: limiting case of a two-component lattice gas.

Science.gov (United States)

Lukyanets, Sergei P; Kliushnychenko, Oleksandr V

2010-11-01

The mass transport in an inhomogeneous medium is modeled as the limiting case of a two-component lattice gas with excluded volume constraint and one of the components fixed. In the long-wavelength approximation, the density relaxation of mobile particles is governed by diffusion and interaction with a medium inhomogeneity represented by the static component distribution. It is shown that the density relaxation can be locally accompanied by density distribution compression, i.e., the local mass transport directed from low-to high-density regions. The origin of such a "negative" mass transport is shown to be associated with the presence of a stationary drift flow defined by the medium inhomogeneity. In the quasi-one-dimensional case, the compression dynamics manifests itself in the hoppinglike motion of packet front position of diffusing substance due to staged passing through inhomogeneity barriers, and it leads to fragmentation of the packet and retardation of its spreading. The root-mean-square displacement reflects only the averaged packet front dynamics and becomes inappropriate as the transport characteristic in this regime. In the stationary case, the mass transport throughout the whole system may be directed from the boundary with lower concentration towards the boundary with higher concentration. Implications of the excluded volume constraint and particle distinguishability for these effects are discussed.

Coupled Interfacial Tension and Phase Behavior Model Based on Micellar Curvatures

KAUST Repository

Torrealba, V. A.

2017-11-08

This article introduces a consistent and robust model that predicts interfacial tensions for all microemulsion Winsor types and overall compositions. The model incorporates film bending arguments and Huh\\'s equation and is coupled to phase behavior so that simultaneous tuning of both interfacial tension (IFT) and phase behavior is possible. The oil-water interfacial tension and characteristic length are shown to be related to each other through the hydrophilic-lipophilic deviation (HLD). The phase behavior is tied to the micelle curvatures, without the need for using the net average curvature (NAC). The interfacial tension model is related to solubilization ratios in order to introduce a coupled interfacial tension-phase behavior model for all phase environments. The approach predicts two- and three-phase interfacial tensions and phase behavior (i.e., tie lines and tie triangles) for changes in composition and HLD input parameters, such as temperature, pressure, surfactant structure, and oil equivalent alkane carbon number. Comparisons to experimental data show excellent fits and predictive capability.

POROUS MICROSTRUCTURE OF THE INTERFACIAL TRANSITION ZONE IN GEOPOLYMER COMPOSITES

Directory of Open Access Journals (Sweden)

Steinerová M.

2013-12-01

Full Text Available The study deals with a comparison of the differences in the structure, composition and micromechanical properties of a metakaolinite geopolymer composite matrix, inside and outside of the interfacial transition zone (ITZ with quartz grains of added silica sand. The microstructure is investigated by a measurement of the mercury porosimetry, microscopy and by a measurement in SEM and AFM, completed by Raman spectroscopy. Weaker mechanical properties, micropores in the ITZ, a higher concentration of Al atoms and hydroxyl groups than in the ambient matrix were detected. The water transport is probably the reason for the micropore formation, caused by disequilibrium in the course of solid-phase building from geopolymer dispersion.

Simulation studies of current transport in metal-insulator-semiconductor Schottky barrier diodes

International Nuclear Information System (INIS)

Chand, Subhash; Bala, Saroj

2007-01-01

The current-voltage characteristics of Schottky diodes with an interfacial insulator layer are analysed by numerical simulation. The current-voltage data of the metal-insulator-semiconductor Schottky diode are simulated using thermionic emission diffusion (TED) equation taking into account an interfacial layer parameter. The calculated current-voltage data are fitted into ideal TED equation to see the apparent effect of interfacial layer parameters on current transport. Results obtained from the simulation studies shows that with mere presence of an interfacial layer at the metal-semiconductor interface the Schottky contact behave as an ideal diode of apparently high barrier height (BH), but with same ideality factor and series resistance as considered for a pure Schottky contact without an interfacial layer. This apparent BH decreases linearly with decreasing temperature. The effects giving rise to high ideality factor in metal-insulator-semiconductor diode are analysed. Reasons for observed temperature dependence of ideality factor in experimentally fabricated metal-insulator-semiconductor diodes are analysed and possible mechanisms are discussed

Global vertical mass transport by clouds - A two-dimensional model study

International Nuclear Information System (INIS)

Olofsson, Mats

1988-05-01

A two-dimensional global dispersion model, where vertical transport in the troposphere carried out by convective as well as by frontal cloud systems is explicitly treated, is developed from an existing diffusion model. A parameterization scheme for the cloud transport, based on global cloud statistics, is presented. The model has been tested by using Kr-85, Rn-222 and SO 2 as tracers. Comparisons have been made with observed distributions of these tracers, but also with model results without the cloud transport, using eddy diffusion as the primary means of vertical transport. The model results indicate that for trace species with a turnover time of days to weeks, the introduction of cloud-transport gives much more realistic simulations of their vertical distribution. Layers of increased mixing ratio with height, which can be found in real atmosphere, are reproduced in our cloud-transport model profiles, but can never be simulated with a pure eddy diffusion model. The horizontal transport in the model, by advection and eddy diffusion, gives a realistic distribution between the hemispheres of the more long-lived tracers (Kr-85). A combination of vertical transport by convective and frontal cloud systems is shown to improve the model simulations, compared to limiting it to convective transport only. The importance of including cumulus clouds in the convective transport scheme, in addition to the efficient transport by cumulonimbus clouds, is discussed. The model results are shown to be more sensitive to the vertical detrainment distribution profile than to the absolute magnitude of the vertical mass transport. The scavenging processes for SO 2 are parameterized without the introduction of detailed chemistry. An enhanced removal, due to the increased contact with droplets in the in-cloud lifting process, is introduced in the model. (author)

Directing energy transport in organic photovoltaic cells using interfacial exciton gates.

Science.gov (United States)

Menke, S Matthew; Mullenbach, Tyler K; Holmes, Russell J

2015-04-28

Exciton transport in organic semiconductors is a critical, mediating process in many optoelectronic devices. Often, the diffusive and subdiffusive nature of excitons in these systems can limit device performance, motivating the development of strategies to direct exciton transport. In this work, directed exciton transport is achieved with the incorporation of exciton permeable interfaces. These interfaces introduce a symmetry-breaking imbalance in exciton energy transfer, leading to directed motion. Despite their obvious utility for enhanced exciton harvesting in organic photovoltaic cells (OPVs), the emergent properties of these interfaces are as yet uncharacterized. Here, directed exciton transport is conclusively demonstrated in both dilute donor and energy-cascade OPVs where judicious optimization of the interface allows exciton transport to the donor-acceptor heterojunction to occur considerably faster than when relying on simple diffusion. Generalized systems incorporating multiple exciton permeable interfaces are also explored, demonstrating the ability to further harness this phenomenon and expeditiously direct exciton motion, overcoming the diffusive limit.

Computing optimal interfacial structure of modulated phases

OpenAIRE

Xu, Jie; Wang, Chu; Shi, An-Chang; Zhang, Pingwen

2016-01-01

We propose a general framework of computing interfacial structures between two modulated phases. Specifically we propose to use a computational box consisting of two half spaces, each occupied by a modulated phase with given position and orientation. The boundary conditions and basis functions are chosen to be commensurate with the bulk structures. It is observed that the ordered nature of modulated structures stabilizes the interface, which enables us to obtain optimal interfacial structures...

Status of the nation's local mass transportation: performance and conditions. Report to the congress, June 1988. Biennial report

Energy Technology Data Exchange (ETDEWEB)

1988-06-01

This document is the third biennial Report of the Secretary of Transportation to the United States Congress on the current performance and condition of the Nation's public mass-transportation systems. It updates the information and recommendations of the previous report and should be of value to the Congress and the Department for developing policy and program requirements to administer the Federal mass-transportation assistance program.

Interfacial behaviour of sodium stearoyllactylate (SSL) as an oil-in-water pickering emulsion stabiliser.

Science.gov (United States)

Kurukji, D; Pichot, R; Spyropoulos, F; Norton, I T

2013-11-01

The ability of a food ingredient, sodium stearoyllactylate (SSL), to stabilise oil-in-water (O/W) emulsions against coalescence was investigated, and closely linked to its capacity to act as a Pickering stabiliser. Results showed that emulsion stability could be achieved with a relatively low SSL concentration (≥0.1 wt%), and cryogenic-scanning electron microscopy (cryo-SEM) visualisation of emulsion structure revealed the presence of colloidal SSL aggregates adsorbed at the oil-water interface. Surface properties of SSL could be modified by altering the size of these aggregates in water; a faster decrease in surface tension was observed when SSL dispersions were subjected to high pressure homogenisation (HPH). The rate of SSL adsorption at the sunflower oil-water interface also increased after HPH, and a higher interfacial tension (IFT) was observed with increasing SSL concentration. Differential scanning calorimetry (DSC) enabled a comparison of the thermal behaviour of SSL in aqueous dispersions with SSL-stabilised O/W emulsions. SSL melting enthalpy depended on emulsion interfacial area and the corresponding DSC data was used to determine the amount of SSL adsorbed at the oil-water interface. An idealised theoretical interfacial coverage calculation based on Pickering emulsion theory was in general agreement with the mass of SSL adsorbed as predicted by DSC. Copyright © 2013 The Authors. Published by Elsevier Inc. All rights reserved.

The influence of interfacial properties on two-phase liquid flow of organic contaminants in groundwater

International Nuclear Information System (INIS)

Hayes, K.F.; Demond, A.H.

1991-09-01

The purpose of this project is to investigate how changes in interfacial chemical properties affect two-phase transport relationships. Specifically, the objective is to develop a quantitative means that will enable the prediction of changes in the capillary pressure-saturation relationship, a fundamental constitutive relationship in multiphase flow, from changes in interfacial properties, such as adsorption and electrophoretic mobility, through a knowledge of their effect on wettability. The information presented here summarizes the progress we have made in the past eight months of the second project period. Working with a system composed of air-water-silica-cetyltrimethylammonium bromide (CTAB), we have obtained a relationship between degree of adsorption and the surface charge of silica (as measured by electrophoretic mobility), and the drainage and imbibition capillary pressure relationships of system. The bulk of this report describes the completed set of measurements for the air-water-silica-CTAB system at pH 6. We are currently working on a comparable set of measurements for the xylene-water-silica-CTAB system at pH 6. Described here are the interfacial tension, contact angle and preliminary drainage capillary pressure measurements. Our work to date shows a dependence of surface properties on pH. Consequently, in the coming year, we will also complete a set of measurements at another pH value to show the effect of pH on capillary pressure relationships

Studies on the disbonding initiation of interfacial cracks.

Energy Technology Data Exchange (ETDEWEB)

McAdams, Brian J. (Lehigh University, Bethlehem, PA); Pearson, Raymond A. (Lehigh University, Bethlehem, PA)

2005-08-01

With the continuing trend of decreasing feature sizes in flip-chip assemblies, the reliability tolerance to interfacial flaws is also decreasing. Small-scale disbonds will become more of a concern, pointing to the need for a better understanding of the initiation stage of interfacial delamination. With most accepted adhesion metric methodologies tailored to predict failure under the prior existence of a disbond, the study of the initiation phenomenon is open to development and standardization of new testing procedures. Traditional fracture mechanics approaches are not suitable, as the mathematics assume failure to originate at a disbond or crack tip. Disbond initiation is believed to first occur at free edges and corners, which act as high stress concentration sites and exhibit singular stresses similar to a crack tip, though less severe in intensity. As such, a 'fracture mechanics-like' approach may be employed which defines a material parameter--a critical stress intensity factor (K{sub c})--that can be used to predict when initiation of a disbond at an interface will occur. The factors affecting the adhesion of underfill/polyimide interfaces relevant to flip-chip assemblies were investigated in this study. The study consisted of two distinct parts: a comparison of the initiation and propagation phenomena and a comparison of the relationship between sub-critical and critical initiation of interfacial failure. The initiation of underfill interfacial failure was studied by characterizing failure at a free-edge with a critical stress intensity factor. In comparison with the interfacial fracture toughness testing, it was shown that a good correlation exists between the initiation and propagation of interfacial failures. Such a correlation justifies the continuing use of fracture mechanics to predict the reliability of flip-chip packages. The second aspect of the research involved fatigue testing of tensile butt joint specimens to determine lifetimes at sub

Next-generation satellite gravimetry for measuring mass transport in the Earth system

NARCIS (Netherlands)

Teixeira Encarnação, J.

2015-01-01

The main objective of the thesis is to identify the optimal set-up for future satellite gravimetry missions aimed at monitoring mass transport in the Earth’s system.The recent variability of climatic patterns, the spread of arid regions and associ- ated changes in the hydrological cycle, and

Interfacial behavior of polar, weakly polar, and nonpolar compounds bound to activated carbons.

Science.gov (United States)

Gun'ko, V M; Turov, V V; Zarko, V I; Goncharuk, O V; Nychiporuk, Yu M; Kozynchenko, O P; Skubiszewska-Zięba, J; Leboda, R; Charmas, B; Balakin, D Yu; Ptushinskii, Yu G

2013-08-15

Detailed analysis of the interfacial behavior of water and weakly polar or nonpolar organics adsorbed alone or co-adsorbed onto activated carbons (AC) at different temperatures is a complex problem important for practical applications of adsorbents. Interaction of water, 1-decanol, and n-decane with AC possessing highly developed porosity (pore volume Vp≈1.4-2.3 cm(3)/g, specific surface area S(BET)≈1500-3500 m(2)/g) was studied over a broad temperature range using differential scanning calorimetry (DSC), thermoporometry, (1)H NMR spectroscopy, cryoporometry, and temperature-programmed desorption with mass-spectrometry control methods. Comparison of the pore size distributions (PSD) calculated using the DSC thermoporometry, NMR cryoporometry, and nitrogen adsorption isotherms allows us to determine localization of adsorbates in different pores, as well as changes in the PSD of AC due to freezing of adsorbates in pores. Theoretical calculations (using ab initio HF/6-31G(d,p), DFT B3LYP/6-31G(d,p), and PM7 methods) explain certain aspects of the interfacial behavior of water, decane, and decanol adsorbed onto AC that appear in the experimental data. Obtained results show strong temperature dependence (above and below the freezing point, Tf, of bulk liquids) of the interfacial behavior of adsorbates on the textural characteristics and hydrophilic/hydrophobic properties of AC and the adsorbate amounts that affect the distributions of adsorbates unfrozen at T

Solvent-Induced Crystallization in Poly(Ethylene Terephthalate) during Mass Transport

Science.gov (United States)

Ouyang, Hao

2001-03-01

The solvent transport in poly(ethylene terephthalate) (PET) and related phase transformation were investigated. The data of mass sorption were analyzed according to Harmon¡¦s model for Case I (Fickian), Case II (swelling) and anomalous transport. This transport process in PET is accompanied by the induced crystallization of the original amorphous state. The transformation was studied by wide angle x-ray scattering (WAXS), small angle x-ray scattering (SAXS), Differential Scanning Calorimeter (DSC), density gradient column, and Fourier Transform Infra-Red (FTIR). During this process, the matrix is under a compressive strain that causes different kinetic path of crystallization as compared to that by thermal annealing. This state of strain will assist the development of the solvent-induced crystallization. It also can be explained in terms of the principle of Le Chatelier if the local equilibrium is assumed. The model regarding the crystallization was proposed in terms of the study of long period L, the crystal thickness lc and the thickness of amorphous layer la, obtained from the linear correlation function and interface distribution function.

The Impact of Microstructure Geometry on the Mass Transport in Artificial Pores: A Numerical Approach

Directory of Open Access Journals (Sweden)

Matthias Galinsky

2014-01-01

Full Text Available The microstructure of porous materials used in heterogeneous catalysis determines the mass transport inside networks, which may vary over many length scales. The theoretical prediction of mass transport phenomena in porous materials, however, is incomplete and is still not completely understood. Therefore, experimental data for every specific porous system is needed. One possible experimental technique for characterizing the mass transport in such pore networks is pulse experiments. The general evaluation of experimental outcomes of these techniques follows the solution of Fick’s second law where an integral and effective diffusion coefficient is recognized. However, a detailed local understanding of diffusion and sorption processes remains a challenge. As there is lack of proved models covering different length scales, existing classical concepts need to be evaluated with respect to their ability to reflect local geometries on the nanometer level. In this study, DSMC (Direct Simulation Monte Carlo models were used to investigate the impact of pore microstructures on the diffusion behaviour of gases. It can be understood as a virtual pulse experiment within a single pore or a combination of different pore geometries.

Coupled porohyperelastic mass transport (PHEXPT) finite element models for soft tissues using ABAQUS.

Science.gov (United States)

Vande Geest, Jonathan P; Simon, B R; Rigby, Paul H; Newberg, Tyler P

2011-04-01

Finite element models (FEMs) including characteristic large deformations in highly nonlinear materials (hyperelasticity and coupled diffusive/convective transport of neutral mobile species) will allow quantitative study of in vivo tissues. Such FEMs will provide basic understanding of normal and pathological tissue responses and lead to optimization of local drug delivery strategies. We present a coupled porohyperelastic mass transport (PHEXPT) finite element approach developed using a commercially available ABAQUS finite element software. The PHEXPT transient simulations are based on sequential solution of the porohyperelastic (PHE) and mass transport (XPT) problems where an Eulerian PHE FEM is coupled to a Lagrangian XPT FEM using a custom-written FORTRAN program. The PHEXPT theoretical background is derived in the context of porous media transport theory and extended to ABAQUS finite element formulations. The essential assumptions needed in order to use ABAQUS are clearly identified in the derivation. Representative benchmark finite element simulations are provided along with analytical solutions (when appropriate). These simulations demonstrate the differences in transient and steady state responses including finite deformations, total stress, fluid pressure, relative fluid, and mobile species flux. A detailed description of important model considerations (e.g., material property functions and jump discontinuities at material interfaces) is also presented in the context of finite deformations. The ABAQUS-based PHEXPT approach enables the use of the available ABAQUS capabilities (interactive FEM mesh generation, finite element libraries, nonlinear material laws, pre- and postprocessing, etc.). PHEXPT FEMs can be used to simulate the transport of a relatively large neutral species (negligible osmotic fluid flux) in highly deformable hydrated soft tissues and tissue-engineered materials.

Interfacial Shear Strength and Adhesive Behavior of Silk Ionomer Surfaces.

Science.gov (United States)

Kim, Sunghan; Geryak, Ren D; Zhang, Shuaidi; Ma, Ruilong; Calabrese, Rossella; Kaplan, David L; Tsukruk, Vladimir V

2017-09-11

The interfacial shear strength between different layers in multilayered structures of layer-by-layer (LbL) microcapsules is a crucial mechanical property to ensure their robustness. In this work, we investigated the interfacial shear strength of modified silk fibroin ionomers utilized in LbL shells, an ionic-cationic pair with complementary ionic pairing, (SF)-poly-l-glutamic acid (Glu) and SF-poly-l-lysine (Lys), and a complementary pair with partially screened Coulombic interactions due to the presence of poly(ethylene glycol) (PEG) segments and SF-Glu/SF-Lys[PEG] pair. Shearing and adhesive behavior between these silk ionomer surfaces in the swollen state were probed at different spatial scales and pressure ranges by using functionalized atomic force microscopy (AFM) tips as well as functionalized colloidal probes. The results show that both approaches were consistent in analyzing the interfacial shear strength of LbL silk ionomers at different spatial scales from a nanoscale to a fraction of a micron. Surprisingly, the interfacial shear strength between SF-Glu and SF-Lys[PEG] pair with partially screened ionic pairing was greater than the interfacial shear strength of the SF-Glu and SF-Lys pair with a high density of complementary ionic groups. The difference in interfacial shear strength and adhesive strength is suggested to be predominantly facilitated by the interlayer hydrogen bonding of complementary amino acids and overlap of highly swollen PEG segments.

Species Uptake and Mass Transport in Membranes for Vanadium Redox Flow Batteries

International Nuclear Information System (INIS)

Elgammal, Ramez A.; Tang, Zhijiang; Sun, Che-Nan; Lawton, Jamie; Zawodzinski, Thomas A.

2017-01-01

In this contribution, we provide a synthesis of results to date describing uptake and mass transport of water, vanadium species and protons in Nafion membranes for use as separators in VRFBs. Resistance issues as well as species cross-over are important contributors to performance loss in VRFBs. After a brief discussion of our state-of-the-art cell performance, we consider the uptake and transport of various species through a number of membrane materials. We draw together numerous previous studies and augment them with new data to provide a summary of our present state of understanding of the experimental facts regarding membrane behavior.

Curvature dependence of the electrolytic liquid-liquid interfacial tension

NARCIS (Netherlands)

Bier, Markus; de Graaf, J.; Zwanikken, J.W.; van Roij, R.H.H.G.

2009-01-01

The interfacial tension of a liquid droplet surrounded by another liquid in the presence of microscopic ions is studied as a function of the droplet radius. An analytical expression for the interfacial tension is obtained within a linear Poisson–Boltzmann theory and compared with numerical results

Interfacial stresses in strengthened beam with shear cohesive zone ...

Indian Academy of Sciences (India)

The results of parametric study are compared with those of Smith and Teng. They confirm the accuracy of the proposed approach in predicting both interfacial shear and normal stresses. Keywords. Strengthened beam; interfacial stresses; cohesive zone; shear deformation. 1. Introduction. The FRP plates can be either ...

Submarine Landslides and Mass-Transport Deposition in the Nankai fore-arc

Science.gov (United States)

Strasser, M.; Henry, P.; Kanamatsu, T.; Moe, K.; Moore, G. F.; IODP Expedition 333 Scientists

2011-12-01

Multiple lines of evidence exist for a range of sediment mass movement processes within the shallow megasplay fault zone (MSFZ) area and the adjacent slope basin in the outer fore-arc of the Nankai subduction zone, Japan. Diagnostic features observed in 3-D reflection seismic data and in cores from Integrated Ocean Drilling Program (IODP) Expedition 316 document a complex mass movement history spanning at least ˜2.87 million years. Various modes and scales of sediment remobilization can be related to the different morphotectonic settings in which they occurred and allow integration of knowledge on the spatial and temporal distribution of submarine landslides into a holistic reconstruction of the tectonostratigraphic evolution. New data from the most-recent Nankai IODP Expedition 333, which drilled and cored a Pleistocene-to-Holocene succession of the slope-basin seaward of the MSFZ, provides unprecedented details on submarine landslide processes occurring over the last Million year. The slope-basin represents the depocentre for downslope sediment transport and is characterized in 3-D reflection seismic data by several mass-transport deposits (MTDs), including an up to 180 m thick MTD. Here we present D/V Chikyu shipboard results and first post cruise results from Site C0018, including litho- bio- magneto- tephra- and stable isotope-stratigraphy, X-ray computed tomography analysis and physical properties data. Six MTDs were identified from visual core description and X-ray CT-scans. The thickest MTD is also the oldest (emplaced between 0.85 and 1.05 Ma) and it coincides with a lithological transition between a sandy turbidite sequence below, and ash-bearing hemipelagites comprising several MTDs above. Deformation styles within the MTD are heterogeneous: intervals of disturbed sediments are interbedded within intervals inferred to retain original, coherent bedding. In three occurrences the base of the MTD is defined by a shear zone within fine-grained sediments

Mass-corrections for the conservative coupling of flow and transport on collocated meshes

Energy Technology Data Exchange (ETDEWEB)

Waluga, Christian, E-mail: waluga@ma.tum.de [Institute for Numerical Mathematics (M2), Technische Universität München, Boltzmannstraße 3, D-85748 Garching bei München (Germany); Wohlmuth, Barbara [Institute for Numerical Mathematics (M2), Technische Universität München, Boltzmannstraße 3, D-85748 Garching bei München (Germany); Rüde, Ulrich [Department of Computer Science 10, University Erlangen–Nuremberg, Cauerstr. 11, D-91058 Erlangen (Germany)

2016-01-15

Buoyancy-driven flow models demand a careful treatment of the mass-balance equation to avoid spurious source and sink terms in the non-linear coupling between flow and transport. In the context of finite-elements, it is therefore commonly proposed to employ sufficiently rich pressure spaces, containing piecewise constant shape functions to obtain local or even strong mass-conservation. In three-dimensional computations, this usually requires nonconforming approaches, special meshes or higher order velocities, which make these schemes prohibitively expensive for some applications and complicate the implementation into legacy code. In this paper, we therefore propose a lean and conservatively coupled scheme based on standard stabilized linear equal-order finite elements for the Stokes part and vertex-centered finite volumes for the energy equation. We show that in a weak mass-balance it is possible to recover exact conservation properties by a local flux-correction which can be computed efficiently on the control volume boundaries of the transport mesh. We discuss implementation aspects and demonstrate the effectiveness of the flux-correction by different two- and three-dimensional examples which are motivated by geophysical applications.

Facile synthesis of mesostructured ZSM-5 zeolite with enhanced mass transport and catalytic performances

Energy Technology Data Exchange (ETDEWEB)

Li, Chao; Ren, Yanqun [School of Chemistry and Chemical Engineering, South China University of Technology, 381 Wushan Road, Tianhe District, Guangzhou 510641 (China); Gou, Jinsheng [College Material Science and Technology, Beijing Forestry University, Key Laboratory of Wooden Material Science and Application, Ministry of Education, 35 Tsinghua East Road, Haidian District, Beijing 100083 (China); Liu, Baoyu [School of Chemistry and Chemical Engineering, South China University of Technology, 381 Wushan Road, Tianhe District, Guangzhou 510641 (China); Xi, Hongxia, E-mail: cehxxi@scut.edu.cn [School of Chemistry and Chemical Engineering, South China University of Technology, 381 Wushan Road, Tianhe District, Guangzhou 510641 (China)

2017-01-15

Highlights: • A mesostructured MFI zeolite was synthesized via dual-functional surfactant approach. • Mass transport was investigated by applying zero length column technique. • The catalyst exhibited excellent catalytic activity and long lifetime. • Gaussian DFT was employed to study the role of surfactant in crystallization process. - Abstract: A mesostructured ZSM-5 zeolite with multilamellar structure was successfully synthesized by employing a tetra-headgroup rigid bolaform quaternary ammonium surfactant. It was characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM), nitrogen adsorption/desorption isotherms, amines temperature programmed desorption (amines-TPD), and computer simulation. These results indicated that the dual-functional amphiphilic surfactants play a critical role for directing the multilamellar structure with high mesoporosity. The mass transport and catalytic performances of the zeolite were investigated by zero length column (ZLC) technique and aldol condensation reactions to evaluate the structure-property relationship. These results clearly indicated that the mass transport of selected molecules in hierarchical zeolite can be accelerated by introducing mesoporous structure with mesostructure with reduced diffusion length and an overall enhanced resistance against deactivation in reactions involving large molecules. Furthermore, the dual-functional surfactant approach of making hierarchical zeolite with MFI nanosheets framework would open up new opportunities for design and synthesis of hierarchical zeolites with controllable mesoporous structures.

Facile synthesis of mesostructured ZSM-5 zeolite with enhanced mass transport and catalytic performances

International Nuclear Information System (INIS)

Li, Chao; Ren, Yanqun; Gou, Jinsheng; Liu, Baoyu; Xi, Hongxia

2017-01-01

Highlights: • A mesostructured MFI zeolite was synthesized via dual-functional surfactant approach. • Mass transport was investigated by applying zero length column technique. • The catalyst exhibited excellent catalytic activity and long lifetime. • Gaussian DFT was employed to study the role of surfactant in crystallization process. - Abstract: A mesostructured ZSM-5 zeolite with multilamellar structure was successfully synthesized by employing a tetra-headgroup rigid bolaform quaternary ammonium surfactant. It was characterized by powder X-ray diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM), nitrogen adsorption/desorption isotherms, amines temperature programmed desorption (amines-TPD), and computer simulation. These results indicated that the dual-functional amphiphilic surfactants play a critical role for directing the multilamellar structure with high mesoporosity. The mass transport and catalytic performances of the zeolite were investigated by zero length column (ZLC) technique and aldol condensation reactions to evaluate the structure-property relationship. These results clearly indicated that the mass transport of selected molecules in hierarchical zeolite can be accelerated by introducing mesoporous structure with mesostructure with reduced diffusion length and an overall enhanced resistance against deactivation in reactions involving large molecules. Furthermore, the dual-functional surfactant approach of making hierarchical zeolite with MFI nanosheets framework would open up new opportunities for design and synthesis of hierarchical zeolites with controllable mesoporous structures.

Interfacial shear behavior of composite flanged concrete beams

Directory of Open Access Journals (Sweden)

Moataz Awry Mahmoud

2014-08-01

Full Text Available Composite concrete decks are commonly used in the construction of highway bridges due to their rapid constructability. The interfacial shear transfer between the top slab and the supporting beams is of great significance to the overall deck load carrying capacity and performance. Interfacial shear capacity is directly influenced by the distribution and the percentage of shear connectors. Research and design guidelines suggest the use of two different approaches to quantify the required interfacial shear strength, namely based on the maximum compressive forces in the flange at mid span or the maximum shear flow at the supports. This paper investigates the performance of flanged reinforced concrete composite beams with different shear connector’s distribution and reinforcing ratios. The study incorporated both experimental and analytical programs for beams. Key experimental findings suggest that concentrating the connectors at the vicinity of the supports enhances the ductility of the beam. The paper proposes a simple and straight forward approach to estimate the interfacial shear capacity that was proven to give good correlation with the experimental results and selected code provisions. The paper presents a method to predict the horizontal shear force between precast beams and cast in-situ slabs.

Liquid-liquid interfacial tension of electrolyte solutions

OpenAIRE

Bier, Markus; Zwanikken, Jos; van Roij, Rene

2008-01-01

It is theoretically shown that the excess liquid-liquid interfacial tension between two electrolyte solutions as a function of the ionic strength I behaves asymptotically as O(- I^0.5) for small I and as O(+- I) for large I. The former regime is dominated by the electrostatic potential due to an unequal partitioning of ions between the two liquids whereas the latter regime is related to a finite interfacial thickness. The crossover between the two asymptotic regimes depends sensitively on mat...

Mass transport of heavy metal ions and radon in gels used as sealing agents in containment technologies

International Nuclear Information System (INIS)

Lakatos, I.; Bauer, K.; Lakatos-Szabo, J.; Kretzschmar, H.J.

1997-01-01

The diffusion and hydrodynamic mass transport of multivalent cations, mostly Cr(III) and Cr(VI) ions and radon in polymer/silicate gels and Montanwax emulsions were studied. It was concluded that the self-conforming gels may decrease the hydrodynamic mass transport in porous and fractured media by 4-6 orders of magnitude. In water saturated systems, however, the diffusion transport can be restricted by hydrogels only to a moderate extent. On the other hand, the high and selective retention capacity of gels towards different diffusing species may open new vistas in the sealing technologies. Similar results were obtained for transport phenomena of radon. The almost perfect quenching process of radon and its nuclides in gels and emulsions further enhances the positive effects of the encapsulation methods. The laboratory experiments provided valuable new information to design the different containment technologies

Mass transport of heavy metal ions and radon in gels used as sealing agents in containment technologies

Energy Technology Data Exchange (ETDEWEB)

Lakatos, I.; Bauer, K.; Lakatos-Szabo, J. [Research Lab. for Mining Chemistry, Miskolc-Egyetemvaros (Hungary); Kretzschmar, H.J. [DBI Gas- und Umwelttechnik GmbH, Feiberg (Germany)

1997-12-31

The diffusion and hydrodynamic mass transport of multivalent cations, mostly Cr(III) and Cr(VI) ions and radon in polymer/silicate gels and Montanwax emulsions were studied. It was concluded that the self-conforming gels may decrease the hydrodynamic mass transport in porous and fractured media by 4-6 orders of magnitude. In water saturated systems, however, the diffusion transport can be restricted by hydrogels only to a moderate extent. On the other hand, the high and selective retention capacity of gels towards different diffusing species may open new vistas in the sealing technologies. Similar results were obtained for transport phenomena of radon. The almost perfect quenching process of radon and its nuclides in gels and emulsions further enhances the positive effects of the encapsulation methods. The laboratory experiments provided valuable new information to design the different containment technologies.

Cold welding of organic light emitting diode: Interfacial and contact models

Directory of Open Access Journals (Sweden)

J. Asare

2016-06-01

Full Text Available This paper presents the results of an analytical and computational study of the contacts and interfacial fracture associated with the cold welding of Organic Light Emitting diodes (OLEDs. The effects of impurities (within the possible interfaces are explored for contacts and interfacial fracture between layers that are relevant to model OLEDs. The models are used to study the effects of adhesion, pressure, thin film layer thickness and dust particle modulus (between the contacting surfaces on contact profiles around impurities between cold-welded thin films. The lift-off stage of thin films (during cold welding is then modeled as an interfacial fracture process. A combination of adhesion and interfacial fracture theories is used to provide new insights for the design of improved contact and interfacial separation during cold welding. The implications of the results are discussed for the design and fabrication of cold welded OLED structures.

No association between striatal dopamine transporter binding and body mass index

DEFF Research Database (Denmark)

van de Giessen, Elsmarieke; Hesse, Swen; Caan, Matthan W A

2013-01-01

Dopamine is one among several neurotransmitters that regulate food intake and overeating. Thus, it has been linked to the pathophysiology of obesity and high body mass index (BMI). Striatal dopamine D(2) receptor availability is lower in obesity and there are indications that striatal dopamine...... transporter (DAT) availability is also decreased. In this study, we tested whether BMI and striatal DAT availability are associated....

Mass transport in fracture media: impact of the random function model assumed for fractures conductivity

International Nuclear Information System (INIS)

Capilla, J. E.; Rodrigo, J.; Gomez Hernandez, J. J.

2003-01-01

Characterizing the uncertainty of flow and mass transport models requires the definition of stochastic models to describe hydrodynamic parameters. Porosity and hydraulic conductivity (K) are two of these parameters that exhibit a high degree of spatial variability. K is usually the parameter whose variability influence to a more extended degree solutes movement. In fracture media, it is critical to properly characterize K in the most altered zones where flow and solutes migration tends to be concentrated. However, K measurements use to be scarce and sparse. This fact calls to consider stochastic models that allow quantifying the uncertainty of flow and mass transport predictions. This paper presents a convective transport problem solved in a 3D block of fractured crystalline rock. the case study is defined based on data from a real geological formation. As the scarcity of K data in fractures does not allow supporting classical multi Gaussian assumptions for K in fractures, the non multi Gaussian hypothesis has been explored, comparing mass transport results for alternative Gaussian and non-Gaussian assumptions. The latter hypothesis allows reproducing high spatial connectivity for extreme values of K. This feature is present in nature, might lead to reproduce faster solute pathways, and therefore should be modeled in order to obtain reasonably safe prediction of contaminants migration in a geological formation. The results obtained for the two alternative hypotheses show a remarkable impact of the K random function model in solutes movement. (Author) 9 refs

Interfacial compatibility of polymer-based structures in electronics

OpenAIRE

Turunen, Markus P. K.

2004-01-01

Interfacial compatibility of dissimilar materials was investigated to achieve a better understanding of interfacial adhesion in metal/polymer/metal systems. Surface modifications of polymers were applied to improve the adhesion. The modified surfaces were characterised by scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and contact angle measurements accompanied by surface free energy evaluations. The pull-off test was employed to asses...

Interfacial Properties of CZTS Thin Film Solar Cell

Directory of Open Access Journals (Sweden)

N. Muhunthan

2014-01-01

Full Text Available Cu-deficient CZTS (copper zinc tin sulfide thin films were grown on soda lime as well as molybdenum coated soda lime glass by reactive cosputtering. Polycrystalline CZTS film with kesterite structure was produced by annealing it at 500°C in Ar atmosphere. These films were characterized for compositional, structural, surface morphological, optical, and transport properties using energy dispersive X-ray analysis, glancing incidence X-ray diffraction, Raman spectroscopy, scanning electron microscopy, atomic force microscopy, UV-Vis spectroscopy, and Hall effect measurement. A CZTS solar cell device having conversion efficiency of ~0.11% has been made by depositing CdS, ZnO, ITO, and Al layers over the CZTS thin film deposited on Mo coated soda lime glass. The series resistance of the device was very high. The interfacial properties of device were characterized by cross-sectional SEM and cross-sectional HRTEM.

Required Equipment for Photo-Switchable Donor-Acceptor (D-A) Dyad Interfacial Self-Assembled Monolayers for Organic Photovoltaic Cells

Science.gov (United States)

2014-01-24

Interfacial Tuning via Electron-Blocking/Hole-Transport Layers and Indium Tin Oxide Surface Treatment in Bulk- Heterojunction Organic Photovoltaic Cells...devices Figure 3 shows the compounds we prepared to assemble on gold (Au) surfaces. Results of TPA-C60 dyads (1 and 2) self-assembled on Au electrodes...surface hydroxyl groups, respectively, we decided to prepare compounds 5-7 to attach as SAMs, see Figure 5. Difficulties and unexpected problems

Interfacial Micromechanics in Fibrous Composites: Design, Evaluation, and Models

Science.gov (United States)

Lei, Zhenkun; Li, Xuan; Qin, Fuyong; Qiu, Wei

2014-01-01

Recent advances of interfacial micromechanics in fiber reinforced composites using micro-Raman spectroscopy are given. The faced mechanical problems for interface design in fibrous composites are elaborated from three optimization ways: material, interface, and computation. Some reasons are depicted that the interfacial evaluation methods are difficult to guarantee the integrity, repeatability, and consistency. Micro-Raman study on the fiber interface failure behavior and the main interface mechanical problems in fibrous composites are summarized, including interfacial stress transfer, strength criterion of interface debonding and failure, fiber bridging, frictional slip, slip transition, and friction reloading. The theoretical models of above interface mechanical problems are given. PMID:24977189

Temperature and compositional dependence of solid-liquid interfacial energy: application of the Cahn-Hilliard theory

International Nuclear Information System (INIS)

Shimizu, I.; Takei, Y.

2005-01-01

A simple thermodynamic method to estimate the solid-liquid interfacial energy (or interfacial tension) is proposed, based on the Cahn-Hilliard theory. In the model, the liquid is treated as a regular solution, and the interfacial layers are assumed to have liquid-like thermodynamic properties. In eutectic systems, interfacial adsorption occurs within a few atomic layers, and interfacial energy monotonously increases with decreasing concentration of the solid species in the liquid phase. If non-ideal atomic interaction is strong and the liquid immiscibility region appears in the phase diagrams (this is the case of monotectic systems), the interfacial thickness drastically increases and the interfacial energy is reduced around the immiscibility gap

Interfacial Area and Interfacial Transfer in Two-Phase Flow Systems (Volume I. Chapters 1-5)

Energy Technology Data Exchange (ETDEWEB)

Guo, T.; Park, J.; Kojasoy, G.

2003-03-15

Experiments were performed on horizontal air-water bubbly two-phase flow, axial flow, stratified wavy flow, and annular flow. Theoretical studies were also undertaken on interfacial parameters for a horizontal two-phase flow.

Interfacial Area and Interfacial Transfer in Two-Phase Flow Systems (Volume IV. Chapters 15-19)

Energy Technology Data Exchange (ETDEWEB)

Guo, T.; Park, J.; Kojasoy, G.

2003-03-15

Experiments were performed on horizontal air-water bubbly two-phase flow, axial flow, stratified wavy flow, and annular flow. Theoretical studies were also undertaken on interfacial parameters for a horizontal two-phase flow.

Interfacial Area and Interfacial Transfer in Two-Phase Flow Systems (Volume II. Chapters 6-10)

Energy Technology Data Exchange (ETDEWEB)

Guo, T.; Park, J.; Kojasoy, G.

2003-03-15

Experiments were performed on horizontal air-water bubbly two-phase flow, axial flow, stratified wavy flow, and annular flow. Theoretical studies were also undertaken on interfacial parameters for a horizontal two-phase flow.

Interfacial Area and Interfacial Transfer in Two-Phase Flow Systems (Volume III. Chapters 11-14)

Energy Technology Data Exchange (ETDEWEB)

Guo, T.; Park, J.; Kojasoy, G.

2003-03-15

Experiments were performed on horizontal air-water bubbly two-phase flow, axial flow, stratified wavy flow, and annular flow. Theoretical studies were also undertaken on interfacial parameters for a horizontal two-phase flow.

Molecular dynamics study on interfacial thermal conductance of unirradiated and irradiated SiC/C

International Nuclear Information System (INIS)

Wang, Qingyu; Wang, Chenglong; Zhang, Yue; Li, Taosheng

2014-01-01

SiC f /SiC composite materials have been considered as candidate structural materials for several types of advanced nuclear reactors. Both experimental and computer simulations studies have revealed the degradation of thermal conductivity for this material after irradiation. The objective of this study is to investigate the effect of SiC/graphite interface structure and irradiation on the interfacial thermal conductance by using molecular dynamics simulation. Five SiC/graphite composite models were created with different interface structures, and irradiation was introduced near the interfaces. Thermal conductance was calculated by means of reverse-NEMD method. Results show that there is a positive correlation between the interfacial energy and interfacial C–Si bond quantity, and irradiated models showed higher interfacial energy compared with their unirradiated counterparts. Except the model with graphite atom plane parallel to the interface, the interfacial thermal conductance of unirradiated and irradiated (1000 eV) models, increases as the increase of interfacial energy, respectively. For all irradiated models, lattice defects are of importance in impacting the interfacial thermal conductance depending on the interface structure. For the model with graphite layer parallel to the interface, the interfacial thermal conductance increased after irradiation, for the other models the interfacial thermal conductance decreased. The vibrational density of states of atoms in the interfacial region was calculated to analyze the phonon mismatch at the interface

Tuning the Interfacial Mechanical Behaviors of Monolayer Graphene/PMMA Nanocomposites.

Science.gov (United States)

Wang, Guorui; Dai, Zhaohe; Liu, Luqi; Hu, Hai; Dai, Qing; Zhang, Zhong

2016-08-31

The van der Waals (vdW) force dominated interface between graphene and polymer matrix creates weak points in the mechanical sense. Chemical functionalization was expected to be an effective approach in transfer of the outstanding performance of graphene across multiple length scales up to the macroscopic level, due to possible improvements in the interfacial adhesion. However, published works showed the contradiction that improvements, insensitivity, or even worsening of macro-mechanical performance have all been reported in graphene-based polymer nanocomposites. Particularly central cause of such discrepancy is the variations in graphene/polymer interfacial chemistry, which is critical in nanocomposites with vast interfacial area. Herein, O3/H2O gaseous mixture was utilized to oxidize monolayer graphene sheet with controlled functionalization degrees. Hydrogen bonds (H bonds) are expected to form between oxidized graphene sheet/poly(methyl methacrylate) (PMMA) at the interface. On the basis of in situ tensile-micro Raman spectroscopy, the impacts of bonding types (vdW and H-bonds) on both key interfacial parameters (such as interfacial shear strength and critical length) and failure modes of graphene/PMMA nanocomposite were clarified for the first time at the microscopic level. Our results show that owing to improved interfacial interaction via H bonds, the interface tends to be stiffening and strengthening. Moreover, the mechanical properties of the functionalized graphene/PMMA interface will be set by the competition between the enhanced interfacial adhesion and the degraded elastic modulus of graphene, which was caused by structural defects in the graphene sheet during the functionalization process and could lead to catastrophic failure of graphene sheets in our experimental observation. Our results will be helpful to design various nanofiller-based nanocomposites with high mechanical performance.

Mass flow and velocity profiles in Neurospora hyphae: partial plug flow dominates intra-hyphal transport.

Science.gov (United States)

Abadeh, Aryan; Lew, Roger R

2013-11-01

Movement of nuclei, mitochondria and vacuoles through hyphal trunks of Neurospora crassa were vector-mapped using fluorescent markers and green fluorescent protein tags. The vectorial movements of all three were strongly correlated, indicating the central role of mass (bulk) flow in cytoplasm movements in N. crassa. Profiles of velocity versus distance from the hyphal wall did not match the parabolic shape predicted by the ideal Hagen-Poiseuille model of flow at low Reynolds number. Instead, the profiles were flat, consistent with a model of partial plug flow due to the high concentration of organelles in the flowing cytosol. The intra-hyphal pressure gradients were manipulated by localized external osmotic treatments to demonstrate the dependence of velocity (and direction) on pressure gradients within the hyphae. The data support the concept that mass transport, driven by pressure gradients, dominates intra-hyphal transport. The transport occurs by partial plug flow due to the organelles in the cytosol.

Effect of interfacial layer on water flow in nanochannels: Lattice Boltzmann simulations

Energy Technology Data Exchange (ETDEWEB)

Jin, Yakang [State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Qingdao, Shandong 266580 (China); College of Science, China University of Petroleum, Qingdao 266580, Shandong (China); Liu, Xuefeng, E-mail: liuxf@upc.edu.cn [College of Science, China University of Petroleum, Qingdao 266580, Shandong (China); Liu, Zilong [College of Science, China University of Petroleum, Qingdao 266580, Shandong (China); Lu, Shuangfang [Institute of Unconventional Oil & Gas and New Energy, China University of Petroleum, Qingdao 266580, Shandong (China); Xue, Qingzhong, E-mail: xueqingzhong@tsinghua.org.cn [State Key Laboratory of Heavy Oil Processing, China University of Petroleum, Qingdao, Shandong 266580 (China); College of Science, China University of Petroleum, Qingdao 266580, Shandong (China); National Production Equipment Research Center, Dongying 257064, Shandong (China)

2016-04-15

A novel interfacial model was proposed to understand water flow mechanism in nanochannels. Based on our pore-throat nanochannel model, the effect of interfacial layer on water flow in nanochannels was quantitatively studied using Lattice Boltzmann method (LBM). It is found that both the permeability of nanochannel and water velocity in the nanochannel dramatically decrease with increasing the thickness of interfacial layer. The permeability of nanochannel with pore radius of 10 nm decreases by about three orders of magnitude when the thickness of interfacial layer is changed from 0 nm to 3 nm gradually. Furthermore, it has been demonstrated that the cross-section shape has a great effect on the water flow inside nanochannel and the effect of interfacial layer on the permeability of nanochannel has a close relationship with cross-section shape when the pore size is smaller than 12 nm. Besides, both pore-throat ratio and throat length can greatly affect water flow in nanochannels, and the influence of interfacial layer on water flow in nanochannels becomes more evident with increasing pore-throat ratio and throat length. Our theoretical results provide a simple and effective method to study the flow phenomena in nano-porous media, particularly to quantitatively study the interfacial layer effect in nano-porous media.

Intelligent Chiral Sensing Based on Supramolecular and Interfacial Concepts

Directory of Open Access Journals (Sweden)

Hironori Izawa

2010-07-01

Full Text Available Of the known intelligently-operating systems, the majority can undoubtedly be classed as being of biological origin. One of the notable differences between biological and artificial systems is the important fact that biological materials consist mostly of chiral molecules. While most biochemical processes routinely discriminate chiral molecules, differentiation between chiral molecules in artificial systems is currently one of the challenging subjects in the field of molecular recognition. Therefore, one of the important challenges for intelligent man-made sensors is to prepare a sensing system that can discriminate chiral molecules. Because intermolecular interactions and detection at surfaces are respectively parts of supramolecular chemistry and interfacial science, chiral sensing based on supramolecular and interfacial concepts is a significant topic. In this review, we briefly summarize recent advances in these fields, including supramolecular hosts for color detection on chiral sensing, indicator-displacement assays, kinetic resolution in supramolecular reactions with analyses by mass spectrometry, use of chiral shape-defined polymers, such as dynamic helical polymers, molecular imprinting, thin films on surfaces of devices such as QCM, functional electrodes, FET, and SPR, the combined technique of magnetic resonance imaging and immunoassay, and chiral detection using scanning tunneling microscopy and cantilever technology. In addition, we will discuss novel concepts in recent research including the use of achiral reagents for chiral sensing with NMR, and mechanical control of chiral sensing. The importance of integration of chiral sensing systems with rapidly developing nanotechnology and nanomaterials is also emphasized.

Three-Dimensional Network Model for Coupling of Fracture and Mass Transport in Quasi-Brittle Geomaterials

Directory of Open Access Journals (Sweden)

Peter Grassl

2016-09-01

Full Text Available Dual three-dimensional networks of structural and transport elements were combined to model the effect of fracture on mass transport in quasi-brittle geomaterials. Element connectivity of the structural network, representing elasticity and fracture, was defined by the Delaunay tessellation of a random set of points. The connectivity of transport elements within the transport network was defined by the Voronoi tessellation of the same set of points. A new discretisation strategy for domain boundaries was developed to apply boundary conditions for the coupled analyses. The properties of transport elements were chosen to evolve with the crack opening values of neighbouring structural elements. Through benchmark comparisons involving non-stationary transport and fracture, the proposed dual network approach was shown to be objective with respect to element size and orientation.

Interfacial behavior of alkaline protease at the air-water and oil-water interfaces

Science.gov (United States)

Zhang, Jian; Li, Yanyan; Wang, Jing; Zhang, Yue

2018-03-01

The interfacial behavior of alkaline protease at the air-water and n-hexane-water interfaces was investigated using interfacial tension, dilatational rheology and dynamic light scattering. Additionally, different adsorption models which are Langmuir, Frumkin, Reorientation-A and Reorientation-R were used to fitting the data of equilibrium interfacial tension for further understanding the interfacial behavior of alkaline protease. Data fitting of the equilibrium interfacial tension was achieved by IsoFit software. The results show that the molecules arrangement of the alkaline protease at the n-hexane-water interface is more tightly than at the air-water interface. The data were further analyzed to indicate that the hydrophobic chains of alkaline protease penetrate into oil phase deeper than the air phase. Also data indicate that the electrostatic interactions and hydrophobic interactions at the n-hexane-water interface are stronger than at the air-water interface within molecules of the alkaline protease. Based on comprehensive analysis of the adsorption kinetics and interfacial rheological properties, interfacial structures mechanism of alkaline protease at n-hexane-water and air-water interfaces was proposed.

Gluon transport equation with effective mass and dynamical onset of Bose–Einstein condensation

International Nuclear Information System (INIS)

Blaizot, Jean-Paul; Jiang, Yin; Liao, Jinfeng

2016-01-01

We study the transport equation describing a dense system of gluons, in the small scattering angle approximation, taking into account medium-generated effective masses of the gluons. We focus on the case of overpopulated systems that are driven to Bose–Einstein condensation on their way to thermalization. The presence of a mass modifies the dispersion relation of the gluon, as compared to the massless case, but it is shown that this does not change qualitatively the scaling behavior in the vicinity of the onset.

Interfacial energies of aqueous mixtures and porous coverings for enhancing pool boiling heat transfer

Energy Technology Data Exchange (ETDEWEB)

Melendez, Elva [CIICAp, Universidad Autonoma del Estado de Morelos, 62210 (Mexico); Reyes, Rene [Departamento de Ingenieria Quimica y Alimentos, Universidad de las Americas Puebla, Santa Catarina Martir Cholula, Puebla 72820 (Mexico)

2006-08-15

The interfacial energies effects on pool boiling were measured for combinations of aqueous ethanol mixtures and cationic surfactants. The mixture with 16% ethanol by weight had the lowest contact angle (associated to the highest wettability) and produced the highest convective heat transfer coefficient, h, among the aqueous ethanol mixtures. The surfactant sodium-lauryl-sulfate added at 100 ppm (its calculated critical micelle concentration CMC) to the 16% ethanol aqueous mixture produced an additional increment of the wettability of the mixture and of the h values; other concentrations of the surfactant reduced de contact angle and h values. The effect of these interfacial energies represents a mass-transfer contribution to pool boiling and the proposal of mixture effects both as increased spreadability and as micelle states. Several randomly constructed porous coverings, contributing to the breakage of vapor slugs around the heater, were tested; produced the highest h values for average pore diameters of 0.5 mm, and covering thickness of 0.972 mm. The synergistic effect on h of the interfacial energies of mixtures at their critical micelle concentration, and porous coverings was measured. Therefore, the independent driving forces combined in this study for increasing pool boiling heat transfer are (a) spreadability of the liquid on the solid; (b) the bubble's size reduction, achieved by micelle states; and (c) the bubble's breakage, induced by the porous coverings, for vapor flow not under pressure drop control. (author)

Mass transport mechanism in the collision of sulphur on medium-weight nuclei

International Nuclear Information System (INIS)

Lejeune, A.; Richert, J.

1980-01-01

The reactions of 32 S on 59 Co, 65 Cu, 74 Ge, 79 Br, 85 Rb, 89 Y are studied. An explanation for the specific shape of the double differential cross sections as a function of the scattering angle and the mass asymmetry is given in the framework of a transport model. Conclusions about the reaction mechanism are drawn

On the inclusion of the interfacial area between phases in the physical and mathematical description of subsurface multiphase flow. 1998 annual progress report

International Nuclear Information System (INIS)

Gray, W.G.; Soll, W.E.; Tompson, A.

1998-01-01

'Improved capabilities for modeling multiphase flow in the subsurface requires that several aspects of the system which impact the flow and transport processes be more properly accounted for. A distinguishing feature of multiphase flow in comparison to single phase flow is the existence of interfaces between fluids. At the microscopic (pore) scale, these interfaces are known to influence system behavior by supporting non-zero stresses such that the pressures in adjacent phases are not equal. In problems of interphase transport at the macroscopic (core) scale, knowledge of the total amount of interfacial area in the system provides a clue to the effectiveness of the communication between phases. Although interfacial processes are central to multiphase flow physics, their treatment in traditional porous-media theories has been implicit rather than explicit; and no attempts have been made to systematically account for the evolution of the interfacial area in dynamic systems or to include the dependence of constitutive functions, such as capillary pressure, on the interfacial area. This project implements a three-pronged approach to assessing the importance of various features of multiphase flow to its description. The research contributes to the improved understanding and precise physical description of multiphase subsurface flow by combining: (1) theoretical derivation of equations, (2) lattice Boltzmann modeling of hydrodynamics to identify characteristics and parameters, and (3) solution of the field-scale equations using a discrete numerical method to assess the advantages and disadvantages of the complete theory. This approach includes both fundamental scientific inquiry and a path for inclusion of the scientific results obtained in a technical tool that will improve assessment capabilities for multiphase flow situations that have arisen due to the introduction of organic materials in the natural environment. This report summarizes work after 1.5 years of a 3

Determination of Interfacial Area in Gas-Liquid Two Phase by Light Transmission

International Nuclear Information System (INIS)

Ghiasi, H.; Safekordi, A. A.; Babazadeh Shareh, F.

2012-01-01

The purpose of the present paper is to develop light beam method to measurement of interfacial area in a rectangular gas-liquid bubble column. Total interfacial area can be determined in bubble column filled by transparent liquid by light transmission method. According to pervious researches, the fraction of parallel light is function of interfacial area and optical path length that these two parameters imply Transmission Number or N T . The drop diameters were measured in the range of 2.2 to 5 mm, and in this range, the specific area is found to depend only upon the light transmission. Three different systems with various liquid phases have been used in this work. It had been proved that light transmission method for dilute suspension or stationary gas phase has a good consequence. In this work, good agreement between actual and calculated interfacial area proves that light transmission method would be able to determine interfacial area in multiple scattering, and it is possible to use earlier mathematic model to measure interfacial area in multiple scattering in gas-liquid bubble columns.

Simulation study of the effect of molar mass dispersity on domain interfacial roughness in lamellae forming block copolymers for directed self-assembly

International Nuclear Information System (INIS)

Peters, Andrew J; Lawson, Richard A; Nation, Benjamin D; Ludovice, Peter J; Henderson, Clifford L

2015-01-01

A coarse-grained molecular dynamics model was used to study the thin film self-assembly and resulting pattern properties of block copolymer (BCP) systems with various molar mass dispersities. Diblock copolymers (i.e. A–b–B type) were simulated in an aligned lamellar state, which is one of the most common patterns of potential use for integrated circuit fabrication via directed self-assembly of BCPs. Effects of the molar mass dispersity (Ð) on feature pitch and interfacial roughness, which are critical lithographic parameters that have a direct impact on integrated circuit performance, were simulated. It was found that for a realistic distribution of polymer molecular weights, modeled by a Wesslau distribution, both line edge roughness (LER) and line width roughness (LWR) increase approximately linearly with increasing Ð, up to ∼45% of the monodisperse value at Ð = 1.5. Mechanisms of compensation for increased A–A and B–B roughness were considered. It was found that long and short chain positions were not correlated, and that long chains were significantly deformed in shape. The increase in LWR was due to the increase in LER and a constant correlation between the line edges. Unaligned systems show a correlation between domain width and local molecular weight, while systems aligned on an alternating pattern of A and B lines did not show any correlation. When the volume fraction of individual chains was allowed to vary, similar results were found when considering the Ð of the block as opposed to the Ð of the entire system. (paper)

Interfacial stabilities of high-temperature composite materials

International Nuclear Information System (INIS)

Chang, Y.A.; DeKock, J.; Zhang, M.X.; Kieschke, R.

1993-01-01

The thermodynamic and kinetic principles necessary to control interfacial reactions between the matrix and reinforcement in composite materials are presented. The concept of interfacial control has been applied to Ti-based/Al 2 O 3 composite. Results are presented which include estimated diffusivities for the reaction in β-Ti/Al 2 O 3 composites, estimated phase relationships for the systems Ti-Al-O, Ti-Y-O, Nb-Y-O and Nb-Al-O at 1100 C, and a coating scheme for αAl 2 O 3 fibers. 71 refs

Interfacial Properties of EXXPRO(TM) and General Purpose Elastomers

Science.gov (United States)

Zhang, Y.; Rafailovich, M.; Sokolov, Jon; Qu, S.; Ge, S.; Ngyuen, D.; Li, Z.; Peiffer, D.; Song, L.; Dias, J. A.; McElrath, K. O.

1998-03-01

EXXPRO(Trademark) elastomers are used for tires and many other applications. This elastomer (denoted as BIMS) is a random copolymer of p-methylstyrene (MS) and polyisobutylene (I) with varying degrees of PMS content and bromination (B) on the p-methyl group. BIMS is impermeable to gases, and has good heat, ozone and flex resistance. Very often general purpose elastomers are blended with BIMS. The interfacial width between polybutadiene and BIMS is a sensitive function of the Br level and PMS content. By neutron reflectivity (NR), we studied the dynamics of interface formation as a function of time and temperature for BIMS with varying degrees of PMS and Br. We found that in addition to the bulk parameters, the total film thickness and the proximity of an interactive surface can affect the interfacial interaction rates. The interfacial properties can also be modified by inclusion of particles, such as carbon black (a filler component in tire rubbers). Results will be presented on the relation between the interfacial width as measured by NR and compatibilization studies via AFM and LFM.

DNA Nanotechnology-Enabled Interfacial Engineering for Biosensor Development.

Science.gov (United States)

Ye, Dekai; Zuo, Xiaolei; Fan, Chunhai

2018-06-12

Biosensors represent biomimetic analytical tools for addressing increasing needs in medical diagnosis, environmental monitoring, security, and biodefense. Nevertheless, widespread real-world applications of biosensors remain challenging due to limitations of performance, including sensitivity, specificity, speed, and reproducibility. In this review, we present a DNA nanotechnology-enabled interfacial engineering approach for improving the performance of biosensors. We first introduce the main challenges of the biosensing interfaces, especially under the context of controlling the DNA interfacial assembly. We then summarize recent progress in DNA nanotechnology and efforts to harness DNA nanostructures to engineer various biological interfaces, with a particular focus on the use of framework nucleic acids. We also discuss the implementation of biosensors to detect physiologically relevant nucleic acids, proteins, small molecules, ions, and other biomarkers. This review highlights promising applications of DNA nanotechnology in interfacial engineering for biosensors and related areas.

Interfacial trap states in junctions of molecular semiconductors

International Nuclear Information System (INIS)

Schlettwein, D.; Oekermann, T.; Jaeger, N.; Armstrong, N.R.; Woehrle, D.

2002-01-01

Interfacial states that were established in contacts of molecular semiconductors with aqueous electrolytes or in contacts with another organic semiconductor as a solid film were analyzed by photoelectrochemical experiments and by photoelectron spectroscopy. A crucial role of such states was indicated in the interfacial charge transfer and recombination kinetics of light-induced charge carriers and also in the energetic alignment in the solid contacts. Unsubstituted zinc-phthalocyanine (PcZn) served as model compound. The role of chemical interactions in the establishment of these interfacial states was investigated by use of different reaction partners, i.e., different redox couples in the electrolyte contacts and molecular semiconductors of different ionization potential in the solid contacts. Implications of these results for the use of organic semiconductor thin films in devices of molecular electronics and of dye molecules in dye-sensitized solar cells were also discussed

Long-range transport biomass burning emissions to the Himalayas: insights from high-resolution aerosol mass spectrometer

Science.gov (United States)

Xu, J.; Zhang, X.; Liu, Y.; Shichang, K.; Ma, Y.

2017-12-01

An intensive measurement was conducted at a remote, background, and high-altitude site (Qomolangma station, QOMS, 4276 m a.s.l.) in the northern Himalayas, using an Aerodyne high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) along with other collocated instruments. The field measurement was performed from April 12 to May 12, 2016 to chemically characterize high time-resolved submicron particulate matter (PM1) and obtain the influence of biomass burning emissions to the Himalayas, frequently transported from south Asia during pre-monsoon season. Two high aerosol loading periods were observed during the study. Overall, the average (± 1σ) PM1 mass concentration was 4.44 (± 4.54) µg m-3 for the entire study, comparable with those observed at other remote sites worldwide. Organic aerosols (OA) was the dominant PM1 species (accounting for 54.3% of total PM1 mass on average) and its contribution increased with the increase of total PM1 mass loading. The average size distributions of PM1 species all peaked at an overlapping accumulation mode ( 500 nm), suggesting that aerosol particles were internally well-mixed and aged during long-range transportations. Positive matrix factorization (PMF) analysis on the high-resolution organic mass spectra identified three distinct OA factors, including a biomass burning related OA (BBOA, 43.7%) and two oxygenated OA (Local-OOA and LRT-OOA; 13.9% and 42.4%) represented sources from local emissions and long-range transportations, respectively. Two polluted air mass origins (generally from the west and southwest of QOMS) and two polluted episodes with enhanced PM1 mass loadings and elevated BBOA contributions were observed, respectively, suggesting the important sources of wildfires from south Asia. One of polluted aerosol plumes was investigated in detail to illustrate the evolution of aerosol characteristics at QOMS driving by different impacts of wildfires, air mass origins, meteorological conditions and

Mass transport enhancement in redox flow batteries with corrugated fluidic networks

Science.gov (United States)

Lisboa, Kleber Marques; Marschewski, Julian; Ebejer, Neil; Ruch, Patrick; Cotta, Renato Machado; Michel, Bruno; Poulikakos, Dimos

2017-08-01

We propose a facile, novel concept of mass transfer enhancement in flow batteries based on electrolyte guidance in rationally designed corrugated channel systems. The proposed fluidic networks employ periodic throttling of the flow to optimally deflect the electrolytes into the porous electrode, targeting enhancement of the electrolyte-electrode interaction. Theoretical analysis is conducted with channels in the form of trapezoidal waves, confirming and detailing the mass transport enhancement mechanism. In dilute concentration experiments with an alkaline quinone redox chemistry, a scaling of the limiting current with Re0.74 is identified, which compares favourably against the Re0.33 scaling typical of diffusion-limited laminar processes. Experimental IR-corrected polarization curves are presented for high concentration conditions, and a significant performance improvement is observed with the narrowing of the nozzles. The adverse effects of periodic throttling on the pumping power are compared with the benefits in terms of power density, and an improvement of up to 102% in net power density is obtained in comparison with the flow-by case employing straight parallel channels. The proposed novel concept of corrugated fluidic networks comes with facile fabrication and contributes to the improvement of the transport characteristics and overall performance of redox flow battery systems.

Three-Dimensional Visualization of Interfacial Phenomena Using Confocal Microscopy

Science.gov (United States)

Shieh, Ian C.

Surfactants play an integral role in numerous functions ranging from stabilizing the emulsion in a favorite salad dressing to organizing the cellular components that make life possible. We are interested in lung surfactant, which is a mixture of lipids and proteins essential for normal respiration because it modulates the surface tension of the air-liquid interface of the thin fluid lining in the lungs. Through this surface tension modulation, lung surfactant ensures effortless lung expansion and prevents lung collapse during exhalation, thereby effecting proper oxygenation of the bloodstream. The function of lung surfactant, as well as numerous interfacial lipid systems, is not solely dictated by the behavior of materials confined to the two-dimensional interface. Rather, the distributions of materials in the liquid subphase also greatly influence the performance of interfacial films of lung surfactant. Therefore, to better understand the behavior of lung surfactant and other interfacial lipid systems, we require a three-dimensional characterization technique. In this dissertation, we have developed a novel confocal microscopy methodology for investigating the interfacial phenomena of surfactants at the air-liquid interface of a Langmuir trough. Confocal microscopy provides the excellent combination of in situ, fast, three-dimensional visualization of multiple components of the lung surfactant system that other characterization techniques lack. We detail the solutions to the numerous challenges encountered when imaging a dynamic air-liquid interface with a high-resolution technique like confocal microscopy. We then use confocal microscopy to elucidate the distinct mechanisms by which a polyelectrolyte (chitosan) and nonadsorbing polymer (polyethylene glycol) restore the function of lung surfactant under inhibitory conditions mimicking the effects of lung trauma. Beyond this physiological model, we also investigate several one- and two-component interfacial films

Effect of mass and charge transport speed and direction in porous anodes on microbial electrolysis cell performance

NARCIS (Netherlands)

Sleutels, T.H.J.A.; Hamelers, H.V.M.; Buisman, C.J.N.

2011-01-01

The use of porous electrodes like graphite felt as anode material has the potential of achieving high volumetric current densities. High volumetric current densities, however, may also lead to mass transport limitations within these porous materials. Therefore, in this study we investigated the mass

Interfacial behaviour of biopolymer multilayers

NARCIS (Netherlands)

Corstens, Meinou N.; Osorio Caltenco, Lilia A.; Vries, de Renko; Schroën, Karin; Berton-Carabin, Claire C.

2017-01-01

Although multilayered emulsions have been related to reduced lipolysis, the involved interfacial phenomena have never been studied directly. In this work, we systematically built multilayers of whey protein and pectin, which we further subjected to digestive conditions, using two different

Interfacial thermal degradation in inverted organic solar cells

International Nuclear Information System (INIS)

Greenbank, William; Hirsch, Lionel; Wantz, Guillaume; Chambon, Sylvain

2015-01-01

The efficiency of organic photovoltaic (OPV) solar cells is constantly improving; however, the lifetime of the devices still requires significant improvement if the potential of OPV is to be realised. In this study, several series of inverted OPV were fabricated and thermally aged in the dark in an inert atmosphere. It was demonstrated that all of the devices undergo short circuit current-driven degradation, which is assigned to morphology changes in the active layer. In addition, a previously unreported, open circuit voltage-driven degradation mechanism was observed that is highly material specific and interfacial in origin. This mechanism was specifically observed in devices containing MoO 3 and silver as hole transporting layers and electrode materials, respectively. Devices with this combination were among the worst performing devices with respect to thermal ageing. The physical origins of this mechanism were explored by Rutherford backscattering spectrometry and atomic force microscopy and an increase in roughness with thermal ageing was observed that may be partially responsible for the ageing mechanism

Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys

Science.gov (United States)

Li, Chunmei; Cheng, Nanpu; Chen, Zhiqian; Xie, Zhongjing; Hui, Liangliang

2018-01-01

Al3TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al3Zr and Al3Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al3TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al3Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al3(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al3(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al3Zr-core or Al3Zr(Sc1-1)-core encircled with an Sc-rich shell forms. PMID:29677155

Arabian Night and Sea Story - Biomarkers from a Giant Mass Transport Deposit.

Science.gov (United States)

Bratenkov, Sophia; Kulhanek, Denise K.; Clift, Peter D.; George, Simon C.

2016-04-01

The study of mass transport deposits (MTDs) is an important field of research due to the potential insights into catastrophic events in the past and modern geohazard threats (e.g. tsunamis). Submarine mass movements are very significant processes in sculpturing the structure of continental margins, particularly in their extent and magnitude that have consequences both in the modern day, as well as in the geological past. An understanding of the complex stratigraphy of a submarine mass transport deposit (MTD) might help in reconstructing the provenance and transport pathways of sedimentary material and thus give important insights into sedimentary dynamics and processes triggering specific events. Drilling operations during International Ocean Discovery Program (IODP) Expedition 355 Arabian Sea Monsoon, which took place during April and May, 2015 cored two sites in Laxmi Basin. Site U1456 was cored to 1109.4 m below seafloor (mbsf), with the oldest recovered rock dated to ~13.5-17.7 Ma. Site U1457 was cored to 1108.6 mbsf, with the oldest rock dated to ~62 Ma. At each site, we cored through ~330 m and ~190 m of MTD material. The MTD layers mainly consist of interbedded lithologies of dark grey claystone, light greenish calcarenite and calcilutite, and conglomerate/breccia, with ages based on calcareous nannofossil and foraminifer biostratigraphy ranging from the Eocene to early Miocene (Pandey et al., 2015). This MTD, known as Nataraja Slide, is the third largest MTD known from the geological record and the second largest on a passive margin. Calvés et al. (2015) identified a potential source area offshore Sourashstra on the Indian continental margin and invoked the single step mass movement model to explain the mechanism of emplacement. Initial shipboard work demonstrated the high variability in total organic carbon and total nitrogen levels in different layers within the MTD, which raises a number of questions related to the source and composition of the organic

Solid/liquid interfacial free energies in binary systems

Science.gov (United States)

Nason, D.; Tiller, W. A.

1973-01-01

Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

Interfacial characteristics of hybrid nanocomposite under thermomechanical loading

Science.gov (United States)

Choyal, Vijay; Kundalwal, Shailesh I.

2017-12-01

In this work, an improved shear lag model was developed to investigate the interfacial characteristics of three-phase hybrid nanocomposite which is reinforced with microscale fibers augmented with carbon nanotubes on their circumferential surfaces. The shear lag model accounts for (i) radial and axial deformations of different transversely isotropic constituents, (ii) thermomechanical loads on the representative volume element (RVE), and (iii) staggering effect of adjacent RVEs. The results from the current newly developed shear lag model are validated with the finite element simulations and found to be in good agreement. This study reveals that the reduction in the maximum value of the axial stress in the fiber and the interfacial shear stress along its length become more pronounced in the presence of applied thermomechanical loads on the staggered RVEs. The existence of shear tractions along the RVE length plays a significant role in the interfacial characteristics and cannot be ignored.

Wavelength dependence of liquid-vapor interfacial tension of Ga

International Nuclear Information System (INIS)

Li Dongxu; Yang Bin; Rice, Stuart A.; Lin Binhua; Meron, Mati; Gebhardt, Jeff; Graber, Tim

2004-01-01

The wave-vector dependence of the liquid-vapor interfacial tension of Ga, γ(q), has been determined from diffuse x-ray scattering measurements. The ratio γ(q)/γ(0)=1 for q -1 decreases to 0.5 near q=0.22 Angstrom -1 , and increases strongly for larger q. The observed form for γ(q)/γ(0) is consistent with the prediction from the Mecke-Dietrich theory when the known stratified liquid-vapor interfacial density profile of Ga and a pseudopotential based pair interaction with appropriate asymptotic (r→∞) behavior are used. The detailed behavior of γ(q)/γ(0) depends on the particular forms of both the interfacial density profile and the asymptotic falloff of the atomic pair interaction

An Inverse Michaelis–Menten Approach for Interfacial Enzyme Kinetics

DEFF Research Database (Denmark)

Kari, Jeppe; Andersen, Morten; Borch, Kim

2017-01-01

Interfacial enzyme reactions are ubiquitous both in vivo and in technical applications, but analysis of their kinetics remains controversial. In particular, it is unclear whether conventional Michaelis–Menten theory, which requires a large excess of substrate, can be applied. Here, an extensive...... experimental study of the enzymatic hydrolysis of insoluble cellulose indeed showed that the conventional approach had a limited applicability. Instead we argue that, unlike bulk reactions, interfacial enzyme catalysis may reach a steady-state condition in the opposite experimental limit, where...... for kinetic analyses of interfacial enzyme reactions and that its analogy to established theory provides a bridge to the accumulated understanding of steady-state enzyme kinetics. Finally, we show that the ratio of parameters from conventional and inverted Michaelis–Menten analysis reveals the density...

Interfacial characterization of CVI-SiC/SiC composites

International Nuclear Information System (INIS)

Yang, W.; Kohyama, A.; Noda, T.; Katoh, Y.; Hinoki, T.; Araki, H.; Yu, J.

2002-01-01

The mechanical properties of the interfaces of two families of chemical vapor infiltration SiC/SiC composites, advanced Tyranno-SA and Hi-Nicalon fibers reinforced SiC/SiC composites with various carbon and SiC/C interlayers, were investigated by single fiber push-out/push-back tests. Interfacial debonding and fibers sliding mainly occurred adjacent to the first carbon layer on the fibers. The interfacial debonding strengths and frictional stresses for both Tyranno-SA/SiC and Hi-Nicalon/SiC composites were correlated with the first carbon layer thickness. Tyranno-SA/SiC composites exhibited much larger interfacial frictional stresses compared to Hi-Nicalon/SiC composites. This was assumed to be mainly contributed by the rather rough surface of the Tyranno-SA fiber

Morphological Instability in InAs/GaSb Superlattices due to Interfacial Bonds

International Nuclear Information System (INIS)

Li, J.H.; Moss, S.C.; Stokes, D.W.; Caha, O.; Bassler, K.E.; Ammu, S.L.; Bai, J.

2005-01-01

Synchrotron x-ray diffraction is used to compare the misfit strain and composition in a self-organized nanowire array in an InAs/GaSb superlattice with InSb interfacial bonds to a planar InAs/GaSb superlattice with GaAs interfacial bonds. It is found that the morphological instability that occurs in the nanowire array results from the large misfit strain that the InSb interfacial bonds have in the nanowire array. Based on this result, we propose that tailoring the type of interfacial bonds during the epitaxial growth of III-V semiconductor films provides a novel approach for producing the technologically important morphological instability in anomalously thin layers

A two-dimensional, two-phase mass transport model for liquid-feed DMFCs

International Nuclear Information System (INIS)

Yang, W.W.; Zhao, T.S.

2007-01-01

A two-dimensional, isothermal two-phase mass transport model for a liquid-feed direct methanol fuel cell (DMFC) is presented in this paper. The two-phase mass transport in the anode and cathode porous regions is formulated based on the classical multiphase flow in porous media without invoking the assumption of constant gas pressure in the unsaturated porous medium flow theory. The two-phase flow behavior in the anode flow channel is modeled by utilizing the drift-flux model, while in the cathode flow channel the homogeneous mist-flow model is used. In addition, a micro-agglomerate model is developed for the cathode catalyst layer. The model also accounts for the effects of both methanol and water crossover through the membrane. The comprehensive model formed by integrating those in the different regions is solved numerically using a home-written computer code and validated against the experimental data in the literature. The model is then used to investigate the effects of various operating and structural parameters, such as methanol concentration, anode flow rate, porosities of both anode and cathode electrodes, the rate of methanol crossover, and the agglomerate size, on cell performance

Ion-neutral transport through quadrupole interfaces of mass-spectrometer systems

International Nuclear Information System (INIS)

Jugroot, M.; Groth, C.P.T.; Thomson, B.A.; Baranov, V.; Collings, B.A.; French, J.B.

2004-01-01

The transport of free ions through highly under-expanded jet flows of neutral gases and in the presence of applied electric fields is investigated by continuum-based numerical simulations. In particular, numerical results are described which are relevant to ion flows occurring in quadrupole interfaces of mass spectrometer systems. A five-moment mathematical model and parallel multi-block numerical solution procedure is developed for predicting the ion transport. The model incorporates the effects of ion-neutral collision processes and is used in conjunction with a Navier-Stokes model and flow solver for the neutral gas to examine the key influences controlling the ion motion. The effects of the neutral gas flow, electric fields (both dc and rf), and flow field geometry on ion mobility are carefully assessed. The capability of controlling the charged particle motions through a combination of directed neutral flow and applied electric field is demonstrated for these high-speed, hypersonic, jet flows. (author)

An assessment of transportation issues under exceptional conditions : the case of the mass media and the Northridge Earthquake

Science.gov (United States)

1998-05-01

This study explores how the mass media covered transportation issues following the 1994 Northridge earthquake. The mass media were a vital channel for travel information, and they provided considerable information to the public about the safety of tr...

Surface and interfacial structural characterization of MBE grown Si/Ge multilayers

International Nuclear Information System (INIS)

Saha, Biswajit; Sharma, Manjula; Sarma, Abhisakh; Rath, Ashutosh; Satyam, P.V.; Chakraborty, Purushottam; Sanyal, Milan K.

2009-01-01

Si/Ge multilayer structures have been grown by solid source molecular beam epitaxy (MBE) on Si (1 1 1) and (1 0 0) substrates and were characterized by high-resolution X-ray diffraction (XRD), atomic force microscopy (AFM), high-depth-resolution secondary ion mass spectroscopy (SIMS) and cross-section high-resolution transmission electron microscopy (HRTEM). A reasonably good agreement has been obtained for layer thickness, interfacial structure and diffusion between SIMS and HRTEM measurements. Epitaxial growth and crystalline nature of the individual layer have been probed using cross-sectional HRTEM and XRD measurements. Surface and interface morphological studies by AFM and HRTEM show island-like growth of both Si and Ge nanostructures.

Liquid metal actuation by electrical control of interfacial tension

Energy Technology Data Exchange (ETDEWEB)

Eaker, Collin B.; Dickey, Michael D., E-mail: michael-dickey@ncsu.edu [Department of Chemical and Biomolecular Engineering, North Carolina State University, 911 Partners Way, Raleigh, North Carolina 27695 (United States)

2016-09-15

By combining metallic electrical conductivity with low viscosity, liquid metals and liquid metal alloys offer new and exciting opportunities to serve as reconfigurable components of electronic, microfluidic, and electromagnetic devices. Here, we review the physics and applications of techniques that utilize voltage to manipulate the interfacial tension of liquid metals; such techniques include electrocapillarity, continuous electrowetting, electrowetting-on-dielectric, and electrochemistry. These techniques lower the interfacial tension between liquid metals and a surrounding electrolyte by driving charged species (or in the case of electrochemistry, chemical species) to the interface. The techniques are useful for manipulating and actuating liquid metals at sub-mm length scales where interfacial forces dominate. We focus on metals and alloys that are liquid near or below room temperature (mercury, gallium, and gallium-based alloys). The review includes discussion of mercury—despite its toxicity—because it has been utilized in numerous applications and it offers a way of introducing several phenomena without the complications associated with the oxide layer that forms on gallium and its alloys. The review focuses on the advantages, applications, opportunities, challenges, and limitations of utilizing voltage to control interfacial tension as a method to manipulate liquid metals.

Nanoparticle Traffic on Helical Tracks: Thermophoretic Mass Transport through Carbon Nanotubes

DEFF Research Database (Denmark)

Schoen, Philipp A.E.; Walther, Jens Honore; Arcidiacono, Salvatore

2006-01-01

Using molecular dynamics simulations, we demonstrate and quantify thermophoretic motion of solid gold nanoparticles inside carbon nanotubes subject to wall temperature gradients ranging from 0.4 to 25 K/nm. For temperature gradients below 1 K/nm, we find that the particles move "on tracks......" in a predictable fashion as they follow unique helical orbits depending on the geometry of the carbon nanotubes. These findings markedly advance our knowledge of mass transport mechanisms relevant to nanoscale applications....

Chemistry and mass transport of iodine in containment

International Nuclear Information System (INIS)

Beahm, E.C.; Weber, C.F.; Kress, T.S.; Shockley, W.E.; Daish, S.R.

1988-01-01

TRENDS is a computer code for modeling behavior of iodine in containment. It tracks both chemical and physical changes and features such as calculation of radiation dose rates in water pools , radiolysis effects, hydrolysis, and deposition/revaporization on aerosols and structural surfaces. Every attempt has been made to account for all significant processes. Reaction rate constants for iodine hydrolysis and radiolysis were obtained by a variable algorithm that gives values closely modeling experimental data. TRENDS output provides the distribution of iodine in containment and release from containment as a function of time during a severe accident sequence. Initial calculations with TRENDS have shown that the amount of volatile iodine released from containment is sensitive to the value of the liquid-gas (evaporation) mass transport coefficient for I 2 . 7 refs., 4 figs., 3 tabs

Ultrasonic Guided Waves in Piezoelectric Layered Composite with Different Interfacial Properties

Directory of Open Access Journals (Sweden)

Xiao Chen

2011-01-01

Full Text Available Combining the propagation model of guided waves in a multilayered piezoelectric composite with the interfacial model of rigid, slip, and weak interfaces, the generalized dispersion characteristic equations of guided waves propagating in a piezoelectric layered composite with different interfacial properties are derived. The effects of the slip, weak, and delamination interfaces in different depths on the dispersion properties of the lowest-order mode ultrasonic guided wave are analyzed. The theory would be used to characterize the interfacial properties of piezoelectric layered composite nondestructively.

Urban Mass Transportation.

Science.gov (United States)

Mervine, K. E.

This bibliography is part of a series of Environmental Resource Packets prepared under a grant from EXXON Education Foundation. The most authoritative and accessible references in the urban transportation field are reviewed. The authors, publisher, point of view, level, and summary are given for each reference. The references are categorized…

Mesoscale Interfacial Dynamics in Magnetoelectric Nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Shashank, Priya [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)

2009-12-14

Biphasic composites are the key towards achieving enhanced magnetoelectric response. In order understand the control behavior of the composites and resultant symmetry of the multifunctional product tensors, we need to synthesized model material systems with the following features (i) interface formation through either deposition control or natural decomposition; (ii) a very high interphase-interfacial area, to maximize the ME coupling; and (iii) an equilibrium phase distribution and morphology, resulting in preferred crystallographic orientation relations between phases across the interphase-interfacial boundaries. This thought process guided the experimental evolution in this program. We initiated the research with the co-fired composites approach and then moved on to the thin film laminates deposited through the rf-magnetron sputtering and pulsed laser deposition process

Transport Coefficients from Large Deviation Functions

Directory of Open Access Journals (Sweden)

Chloe Ya Gao

2017-10-01

Full Text Available We describe a method for computing transport coefficients from the direct evaluation of large deviation functions. This method is general, relying on only equilibrium fluctuations, and is statistically efficient, employing trajectory based importance sampling. Equilibrium fluctuations of molecular currents are characterized by their large deviation functions, which are scaled cumulant generating functions analogous to the free energies. A diffusion Monte Carlo algorithm is used to evaluate the large deviation functions, from which arbitrary transport coefficients are derivable. We find significant statistical improvement over traditional Green–Kubo based calculations. The systematic and statistical errors of this method are analyzed in the context of specific transport coefficient calculations, including the shear viscosity, interfacial friction coefficient, and thermal conductivity.

Transport Coefficients from Large Deviation Functions

Science.gov (United States)

Gao, Chloe; Limmer, David

2017-10-01

We describe a method for computing transport coefficients from the direct evaluation of large deviation function. This method is general, relying on only equilibrium fluctuations, and is statistically efficient, employing trajectory based importance sampling. Equilibrium fluctuations of molecular currents are characterized by their large deviation functions, which is a scaled cumulant generating function analogous to the free energy. A diffusion Monte Carlo algorithm is used to evaluate the large deviation functions, from which arbitrary transport coefficients are derivable. We find significant statistical improvement over traditional Green-Kubo based calculations. The systematic and statistical errors of this method are analyzed in the context of specific transport coefficient calculations, including the shear viscosity, interfacial friction coefficient, and thermal conductivity.

Mass gathering medicine: a predictive model for patient presentation and transport rates.

Science.gov (United States)

Arbon, P; Bridgewater, F H; Smith, C

2001-01-01

This paper reports on research into the influence of environmental factors (including crowd size, temperature, humidity, and venue type) on the number of patients and the patient problems presenting to first-aid services at large, public events in Australia. Regression models were developed to predict rates of patient presentation and of transportation-to-a-hospital for future mass gatherings. To develop a data set and predictive model that can be applied across venues and types of mass gathering events that is not venue or event specific. Data collected will allow informed event planning for future mass gatherings for which health care services are required. Mass gatherings were defined as public events attended by in excess of 25,000 people. Over a period of 12 months, 201 mass gatherings attended by a combined audience in excess of 12 million people were surveyed throughout Australia. The survey was undertaken by St. John Ambulance Australia personnel. The researchers collected data on the incidence and type of patients presenting for treatment and on the environmental factors that may influence these presentations. A standard reporting format and definition of event geography was employed to overcome the event-specific nature of many previous surveys. There are 11,956 patients in the sample. The patient presentation rate across all event types was 0.992/1,000 attendees, and the transportation-to-hospital rate was 0.027/1,000 persons in attendance. The rates of patient presentations declined slightly as crowd sizes increased. The weather (particularly the relative humidity) was related positively to an increase in the rates of presentations. Other factors that influenced the number and type of patients presenting were the mobility of the crowd, the availability of alcohol, the event being enclosed by a boundary, and the number of patient-care personnel on duty. Three regression models were developed to predict presentation rates at future events. Several

Direct observation of interfacial Au atoms on TiO₂ in three dimensions.

Science.gov (United States)

Gao, Wenpei; Sivaramakrishnan, Shankar; Wen, Jianguo; Zuo, Jian-Min

2015-04-08

Interfacial atoms, which result from interactions between the metal nanoparticles and support, have a large impact on the physical and chemical properties of nanoparticles. However, they are difficult to observe; the lack of knowledge has been a major obstacle toward unraveling their role in chemical transformations. Here we report conclusive evidence of interfacial Au atoms formed on the rutile (TiO2) (110) surfaces by activation using high-temperature (∼500 °C) annealing in air. Three-dimensional imaging was performed using depth-sectioning enabled by aberration-corrected scanning transmission electron microscopy. Results show that the interface between Au nanocrystals and TiO2 (110) surfaces consists of a single atomic layer with Au atoms embedded inside Ti-O. The number of interfacial Au atoms is estimated from ∼1-8 in an interfacial atomic column. Direct impact of interfacial Au atoms is observed on an enhanced Au-TiO2 interaction and the reduction of surface TiO2; both are critical to Au catalysis.

Research on the interfacial behaviors of plate-type dispersion nuclear fuel elements

Energy Technology Data Exchange (ETDEWEB)

Wang Qiming; Yan Xiaoqing [Department of Mechanics and Engineering Science, Fudan University, Shanghai 200433 (China); Ding Shurong, E-mail: dsr1971@163.co [Department of Mechanics and Engineering Science, Fudan University, Shanghai 200433 (China); Huo Yongzhong [Department of Mechanics and Engineering Science, Fudan University, Shanghai 200433 (China)

2010-04-01

The three-dimensional constitutive relations are constructed, respectively, for the fuel particles, the metal matrix and the cladding of dispersion nuclear fuel elements, allowing for the effects of large deformation and thermal-elastoplasticity. According to the constitutive relations, the method of modeling their irradiation behaviors in ABAQUS is developed and validated. Numerical simulations of the interfacial performances between the fuel meat and the cladding are implemented with the developed finite element models for different micro-structures of the fuel meat. The research results indicate that: (1) the interfacial tensile stresses and shear stresses for some cases will increase with burnup, but the relative stresses will decrease with burnup for some micro-structures; (2) at the lower burnups, the interfacial stresses increase with the particle sizes and the particle volume fractions; however, it is not the case at the higher burnups; (3) the particle distribution characteristics distinctly affect the interfacial stresses, and the face-centered cubic case has the best interfacial performance of the three considered cases.

Apparent directional mass-transfer capacity coefficients in three-dimensional anisotropic heterogeneous aquifers under radial convergent transport

Science.gov (United States)

Pedretti, D.; Fernàndez-Garcia, D.; Sanchez-Vila, X.; Bolster, D.; Benson, D. A.

2014-02-01

Aquifer hydraulic properties such as hydraulic conductivity (K) are ubiquitously heterogeneous and typically only a statistical characterization can be sought. Additionally, statistical anisotropy at typical characterization scales is the rule. Thus, regardless of the processes governing solute transport at the local (pore) scale, transport becomes non-Fickian. Mass-transfer models provide an efficient tool that reproduces observed anomalous transport; in some cases though, these models lack predictability as model parameters cannot readily be connected to the physical properties of aquifers. In this study, we focus on a multirate mass-transfer model (MRMT), and in particular the apparent capacity coefficient (β), which is a strong indicator of the potential of immobile zones to capture moving solute. We aim to find if the choice of an apparent β can be phenomenologically related to measures of statistical anisotropy. We analyzed an ensemble of random simulations of three-dimensional log-transformed multi-Gaussian permeability fields with stationary anisotropic correlation under convergent flow conditions. It was found that apparent β also displays an anisotropic behavior, physically controlled by the aquifer directional connectivity, which in turn is controlled by the anisotropic correlation model. A high hydraulic connectivity results in large β values. These results provide new insights into the practical use of mass-transfer models for predictive purposes.

Strong and reversible modulation of carbon nanotube-silicon heterojunction solar cells by an interfacial oxide layer.

Science.gov (United States)

Jia, Yi; Cao, Anyuan; Kang, Feiyu; Li, Peixu; Gui, Xuchun; Zhang, Luhui; Shi, Enzheng; Wei, Jinquan; Wang, Kunlin; Zhu, Hongwei; Wu, Dehai

2012-06-21

Deposition of nanostructures such as carbon nanotubes on Si wafers to make heterojunction structures is a promising route toward high efficiency solar cells with reduced cost. Here, we show a significant enhancement in the cell characteristics and power conversion efficiency by growing a silicon oxide layer at the interface between the nanotube film and Si substrate. The cell efficiency increases steadily from 0.5% without interfacial oxide to 8.8% with an optimal oxide thickness of about 1 nm. This systematic study reveals that formation of an oxide layer switches charge transport from thermionic emission to a mixture of thermionic emission and tunneling and improves overall diode properties, which are critical factors for tailoring the cell behavior. By controlled formation and removal of interfacial oxide, we demonstrate oscillation of the cell parameters between two extreme states, where the cell efficiency can be reversibly altered by a factor of 500. Our results suggest that the oxide layer plays an important role in Si-based photovoltaics, and it might be utilized to tune the cell performance in various nanostructure-Si heterojunction structures.

The molecular understanding of interfacial interactions of functionalized graphene and chitosan

International Nuclear Information System (INIS)

Zhang, Hong-ping; Luo, Xue-gang; Lin, Xiao-yan; Lu, Xiong; Tang, Youhong

2016-01-01

Graphical abstract: The type of the functional groups can be used to modulating interactions between graphene sheet and chitosan. - Highlights: • Investigate interfacial interactions between chitosan and functionalized graphene by DFT. • Observe covalent linkages between COOH-modified graphene and chitosan units. • Multi-functionalized graphene regulates the interfacial interactions with chitosan. • It is useful for guiding the preparation of graphene/chitosan composites. - Abstract: Graphene-reinforced chitosan scaffolds have been extensively studied for several years as promising hard tissue replacements. However, the interfacial interactions between graphene and chitosan are strongly related to the solubility, processability, and mechanical properties of graphene-reinforced chitosan (G–C) composites. The functionalization of graphene is regarded as the most effective way to improve the abovementioned properties of the G–C composite. In this study, the interfacial interactions between chitosan and functionalized graphene sheets with carboxylization (COOH-), amination (NH 2 -), and hydroxylation (OH-) groups were systematically studied at the electronic level using the method of ab initio simulations based on quantum mechanics theory and the observations were compared with reported experimental results. The covalent linkages between COOH-modified graphene and the chitosan units were demonstrated and the combination of multi-functionalization on graphene could regulate the interfacial interactions between graphene and the chitosan. The interfacial interactions between chitosan and properly functionalized graphene are critical for the preparation of G–C-based composites for tissue engineering scaffolds and other applications.

Imaging mass spectrometry tackles interfacial challenges in electrochemistry

Energy Technology Data Exchange (ETDEWEB)

Yu, Xiao-Ying

2017-12-01

Electrochemistry has played a significant role in many research fields. Owing to its sensitivity and selectivity, in situ electroanalysis has been widely used as a fast and economical means for achieving outstanding results. Although many spectroscopic techniques have been used in electrochemistry, the challenges to capture short-lived intermediate species as a result of electron transfer in the buried solid electrode and electrolyte solution interface remains a grand challenge. In situ imaging mass spectrometry (IMS) recently has been extended to capture transient species in electrochemistry. This review intends to summarize newest development of IMS and its applications in advancing fundamental electrochemistry.

Mass transport aspects of polymer electrolyte fuel cells under two-phase flow conditions

Energy Technology Data Exchange (ETDEWEB)

Kramer, D.

2007-03-27

This work deals with selected aspects of mass transport phenomena in PEFCs and DMFCs. Emphasis is placed on the implications originating from the occurrence of two-phase flow within these devices. Optimality of supply, distribution, and removal of the fuel, the oxidant, and the reaction products is of utmost importance for the stability, efficiency, and durability of the devices. Being a prerequisite for high current densities while maintaining sufficient voltage, mass transport optimization contributes to the development of cost effective as well as compact designs and hence competitive fuel cells. [German] Die Visualisierung und Quantifizierung von Fluessigwasseransammlungen in Polymerelektrolytmembran-Brennstoffzellen konnte mittels Neutronenradiographie erreicht werden. Dank dieser neuartigen diagnostischen Methode konnte erstmals die Fluessigwasseransammlung in den poroesen Gasdiffusionsschichten direkt nachgewiesen und quantifiziert werden. Die Kombination von Neutronenradiographie mit ortsaufgeloesten Stromdichtemessungen bzw. lokaler Impedanzspektroskopie erlaubte die Korrelation des inhomogenen Fluessigwasseranfalls mit dem lokalen elektrochemischen Leistungsverhalten. Systematische Untersuchungen an Polymerelektrolyt- und Direkt-Methanol-Brennstoffzellen verdeutlichen sowohl den Einfluss von Betriebsbedingungen als auch die Auswirkung von Materialeigenschaften auf die Ausbildung zweiphasiger Stroemungen.

Mass Transfer Limited Enhanced Bioremediation at Dnapl Source Zones: a Numerical Study

Science.gov (United States)

Kokkinaki, A.; Sleep, B. E.

2011-12-01

The success of enhanced bioremediation of dense non-aqueous phase liquids (DNAPLs) relies on accelerating contaminant mass transfer from the organic to the aqueous phase, thus enhancing the depletion of DNAPL source zones compared to natural dissolution. This is achieved by promoting biological activity that reduces the contaminant's aqueous phase concentration. Although laboratory studies have demonstrated that high reaction rates are attainable by specialized microbial cultures in DNAPL source zones, field applications of the technology report lower reaction rates and prolonged remediation times. One possible explanation for this phenomenon is that the reaction rates are limited by the rate at which the contaminant partitions from the DNAPL to the aqueous phase. In such cases, slow mass transfer to the aqueous phase reduces the bioavailability of the contaminant and consequently decreases the potential source zone depletion enhancement. In this work, the effect of rate limited mass transfer on bio-enhanced dissolution of DNAPL chlorinated ethenes is investigated through a numerical study. A multi-phase, multi-component groundwater transport model is employed to simulate DNAPL mass depletion for a range of source zone scenarios. Rate limited mass transfer is modeled by a linear driving force model, employing a thermodynamic approach for the calculation of the DNAPL - water interfacial area. Metabolic reductive dechlorination is modeled by Monod kinetics, considering microbial growth and self-inhibition. The model was utilized to identify conditions in which mass transfer, rather than reaction, is the limiting process, as indicated by the bioavailability number. In such cases, reaction is slower than expected, and further increase in the reaction rate does not enhance mass depletion. Mass transfer rate limitations were shown to affect both dechlorination and microbial growth kinetics. The complex dynamics between mass transfer, DNAPL transport and distribution, and

Interfacial Studies of Sized Carbon Fiber

International Nuclear Information System (INIS)

Shahrul, S. N.; Hartini, M. N.; Hilmi, E. A.; Nizam, A.

2010-01-01

This study was performed to investigate the influence of sizing treatment on carbon fiber in respect of interfacial adhesion in composite materials, Epolam registered 2025. Fortafil unsized carbon fiber was used to performed the experiment. The fiber was commercially surface treated and it was a polyacrylonitrile based carbon fiber with 3000 filament per strand. Epicure registered 3370 was used as basic sizing chemical and dissolved in two types of solvent, ethanol and acetone for the comparison purpose. The single pull out test has been used to determine the influence of sizing on carbon fiber. The morphology of carbon fiber was observed by atomic force microscopy (AFM) and scanning electron microscopy (SEM). The apparent interfacial strength IFSS values determined by pull out test for the Epicure registered 3370/ethanol sized carbon fiber pointed to a good interfacial behaviour compared to the Epicure registered 3370/acetone sized carbon fiber. The Epicure registered 3370/ethanol sizing agent was found to be effective in promoting adhesion because of the chemical reactions between the sizing and Epolam registered 2025 during the curing process. From this work, it showed that sized carbon fiber using Epicure registered 3370 with addition of ethanol give higher mechanical properties of carbon fiber in terms of shear strength and also provided a good adhesion between fiber and matrix compared to the sizing chemical that contain acetone as a solvent.

Simulation of two-phase flows in vertical tubes with the CTFD code FLUBOX

International Nuclear Information System (INIS)

Graf, Udo; Papadimitriou, Pavlos

2007-01-01

The computational two-fluid dynamics (CTFD) code FLUBOX is developed at GRS for the multidimensional simulation of two-phase flows. The single-pressure two-fluid model is used as basis of the simulation. A basic mathematical property of the two-fluid model of FLUBOX is the hyperbolic character of the advection. The numerical solution methods of FLUBOX make explicit use of the hyperbolic structure of the coefficient matrices. The simulation of two-phase flow phenomena needs, apart from the conservation equations for each phase, an additional transport equation for the interfacial area concentration. The concentration of the interfacial area is one of the key parameters for the modeling of interfacial friction forces and interfacial transfer terms. A new transport equation for the interfacial area concentration is in development. It describes the dynamic change of the interfacial area concentration due to mass exchange and a force balance at the phase boundary. Results from FLUBOX calculations for different experiments of two-phase flows in vertical tubes are presented as part of the validation

Polyindole/ carboxylated-multiwall carbon nanotube composites produced by in-situ and interfacial polymerization

International Nuclear Information System (INIS)

Joshi, Leela; Singh, Arun Kumar; Prakash, Rajiv

2012-01-01

Composites of polyindole (PIn), a conducting polymer, with carboxylated-multiwalled carbon nanotubes (c-MWCNT/PIn) were synthesized; the synthesis was done using (i) two miscible solvents (in-situ method) and (ii) two immiscible solvents (interfacial method). A tubular composite, with a uniform coating of the polymer over c-MWCNTs, was observed in the case of interfacial synthesis. However, the in-situ synthesis of c-MWCNT/PIn composites exhibited a densely packed spherical morphology, with c-MWCNT incorporated within the polymer spheres. The spherical morphology was probably obtained due to fast polymerization kinetics and the formation of micelles in case of in-situ polymerization, whereas tubular morphology was obtained in case of interfacial polymerization due to the sufficient time provided for the growth of polymer chains over the c-MWCNT surfaces. Nanoscale electrical properties of composites, in a metal/(c-MWCNT/PIn) configuration, were studied using current sensing atomic force microscopy. Interfacial c-MWCNT/PIn composite, on Al metal substrate, exhibited a typical rectifying diode behavior. This composite had manifested enormous potential for electronic applications and fabrication of nanoscale organic devices. Highlights: ► Polyindole/c-MWNT nanocomposites produced by in-situ and interfacial polymerization. ► Densely packed spherical morphology was observed in in-situ polymerization route. ► Tubular core-shell morphology was observed in interfacial polymerization route. ► Interfacial nanocomposite manifested a nano-schottky junction with Al metal.

The influence of mass transfer on solute transport in column experiments with an aggregated soil

Science.gov (United States)

Roberts, Paul V.; Goltz, Mark N.; Summers, R. Scott; Crittenden, John C.; Nkedi-Kizza, Peter

1987-06-01

The spreading of concentration fronts in dynamic column experiments conducted with a porous, aggregated soil is analyzed by means of a previously documented transport model (DFPSDM) that accounts for longitudinal dispersion, external mass transfer in the boundary layer surrounding the aggregate particles, and diffusion in the intra-aggregate pores. The data are drawn from a previous report on the transport of tritiated water, chloride, and calcium ion in a column filled with Ione soil having an average aggregate particle diameter of 0.34 cm, at pore water velocities from 3 to 143 cm/h. The parameters for dispersion, external mass transfer, and internal diffusion were predicted for the experimental conditions by means of generalized correlations, independent of the column data. The predicted degree of solute front-spreading agreed well with the experimental observations. Consistent with the aggregate porosity of 45%, the tortuosity factor for internal pore diffusion was approximately equal to 2. Quantitative criteria for the spreading influence of the three mechanisms are evaluated with respect to the column data. Hydrodynamic dispersion is thought to have governed the front shape in the experiments at low velocity, and internal pore diffusion is believed to have dominated at high velocity; the external mass transfer resistance played a minor role under all conditions. A transport model such as DFPSDM is useful for interpreting column data with regard to the mechanisms controlling concentration front dynamics, but care must be exercised to avoid confounding the effects of the relevant processes.

FEFLOW finite element modeling of flow, mass and heat transport in porous and fractured media

CERN Document Server

Diersch, Hans-Jörg G

2013-01-01

Placing advanced theoretical and numerical methods in the hands of modeling practitioners and scientists, this book explores the FEFLOW system for solving flow, mass and heat transport processes in porous and fractured media. Offers applications and exercises.

Ultrathin Polyamide Membranes Fabricated from Free-Standing Interfacial Polymerization: Synthesis, Modifications, and Post-treatment

KAUST Repository

Cui, Yue

2016-12-21

The thin film composite (TFC) membrane synthesized via interfacial polymerization is the workhorse of the prevalent membrane technologies such as nanofiltration (NF), reverse osmosis (RO), forward osmosis (FO), and pressure retarded osmosis (PRO) membranes. The polyamide selective layer usually possesses a high selectivity and permeability, making it the heart of this membrane technology. To further improve and understand its formation, with entirely excluding the effect of substrate, an ultrathin membrane which consists of only the polyamide selective layer has been fabricated via free-standing interfacial polymerization between M-phenylenediamine (MPD) and trimesoyl chloride (TMC) in this study. The influences of monomer concentration on polyamide layer formation is first examined. Different from previous studies which indicated that the variation of MPD concentration might affect the polyamide layer formation even when in excess, the MPD concentration when in excess does not affect membrane properties significantly, while increasing the TMC concentration gradually densifies the polyamide layer and enhances its transport resistance. Adding lithium bromide (LiBr) and sodium dodecyl sulfate (SDS) in MPD solutions is found to facilitate the reaction between the two phases and result in a significant improvement in water permeability. However, a high amount of additives leads to an augmentation in transport resistance. The N,N-dimethylformamide (DMF) treatment on the polyamide membrane shows pronounced improvements on water flux under FO tests and water permeability under RO tests without compromising reverse salt flux and salt rejection because the dense polyamide core stays intact. This study may offer a different perspective on membrane formation and intrinsic properties of the polyamide selective layer and provide useful insights for the development of next-generation TFC membranes.

The Sedimentology and Origins of a Giant Mass Transport Deposit: The Nataraja Slide, Arabian Sea

Science.gov (United States)

Dailey, S. K.; Clift, P. D.; Kulhanek, D. K.; Calves, G.

2017-12-01

The Nataraja Slide was recently discovered by seismic mapping off the west coast of India in the Arabian Sea. Volumetrically estimated to be 19,000 km3, it is the second largest mass transport deposit known on a passive margin. Understanding how this deposit was emplaced is important to constrain how mass wasting affects the bathymetry of sedimentary basins, as well as the effects triggered by such a large event, including tsunamis. The Nataraja Slide was emplaced at 10.8 Ma as a result of collapse of the western India margin, which traveled 550 km into the basin. The deposit has been cored in two locations by the International Ocean Discovery Program (IODP) Expedition 355, where it is 330 m (Site U1456) and 190 m thick (Site U1457). The presence of various deformation structures and the occurrence of a predominantly reworked calcareous nannofossil assemblages are used to define the top of the deposit. The deposit appears to consist of two units at Site U1456 with 22 m of upper Miocene hemipelagic sediment separating them, suggesting emplacement in two large pulses. At both sites, the mass transport deposit has a coarse carbonate-dominated base, composed of clast-supported breccia overlain by massive calcarenite associated with high-energy current transport, and calcilutite. These strata are overlain by steeply inclined, slumped but otherwise coherent pyritized, siliciclastic mudstones and minor volumes of matrix-supported conglomerates, interpreted as debris flows. Emplacement appears to have eroded significant thicknesses of Indus Fan turbidites at Site U1456, as there is a hiatus that is a minimum of 2.5 m.y. at the base. At Site U1457, the slide directly overlies Paleocene reddish mudstones on the eastern flank of the Laxmi Ridge, which likely diverted the sediment to the south in the Laxmi Basin and away from the main Arabian Sea basin. Bulk sediment Nd and Sr isotope geochemistry show a provenance, similar to those of the Tapti and Narmada rivers in western

Interfacial waves generated by electrowetting-driven contact line motion

Science.gov (United States)

Ha, Jonghyun; Park, Jaebum; Kim, Yunhee; Shin, Bongsu; Bae, Jungmok; Kim, Ho-Young

2016-10-01

The contact angle of a liquid-fluid interface can be effectively modulated by the electrowetting-on-dielectric (EWOD) technology. Rapid movement of the contact line can be achieved by swift changes of voltage at the electrodes, which can give rise to interfacial waves under the strong influence of surface tension. Here we experimentally demonstrate EWOD-driven interfacial waves of overlapping liquids and compare their wavelength and decay length with the theoretical results obtained by a perturbation analysis. Our theory also allows us to predict the temporal evolution of the interfacial profiles in either rectangular or cylindrical containers, as driven by slipping contact lines. This work builds a theoretical framework to understand and predict the dynamics of capillary waves of a liquid-liquid interface driven by EWOD, which has practical implications on optofluidic devices used to guide light.

Multiple nucleon transfer in damped nuclear collisions. [Lectures, mass charge, and linear and angular momentum transport

Energy Technology Data Exchange (ETDEWEB)

Randrup, J.

1979-07-01

This lecture discusses a theory for the transport of mass, charge, linear, and angular momentum and energy in damped nuclear collisions, as induced by multiple transfer of individual nucleons. 11 references.

Effect of aging on mass transfer naphthalene from creosotes to water

International Nuclear Information System (INIS)

Alshafie, M.; Ghoshal, S.

2002-01-01

Semi-gelatinous interfacial films or 'skins' have been observed to form at the interface of creosote and water when creosote is aged (contacted over an extended time period) in water under quiescent conditions for a few days. The objective of the research is to investigate whether aging of creosote-water interfaces and the formation of interfacial films retard dissolution of a target solute, naphthalene, from samples of creosote. Mass transfer experiments were conducted in gently stirred flow-through reactors where the NAPL was coated on glass beads so as to keep the NAPL and the aqueous phases segregated. The aqueous concentration in the reactor effluent was determined in samples collected at different time points and the equilibrium partitioning coefficients and area-independent mass transfer coefficients were calculated. Over the period of one week, the mass transfer rate coefficients of the naphthalene from creosote to water underwent approximately 30% reduction. Further reduction was observed up to 3 weeks of aging. This significant reduction in mass transfer coefficient has important implications on potential rates of dissolution of the solutes, and thus on rates of clean up of creosote-contaminated sites. (author)

Sintering kinetics and mass transport in ceramic engobes; Cinetica de sinterizacion y transporte de masa en engobes ceramicos por el metodo Pechini

Energy Technology Data Exchange (ETDEWEB)

Dal Bo, M.; Boschi, A. O.; Hotza, D.

2013-10-01

This work is concerned to study the sintering rate and mass transport mechanism in ceramic engobes. Specimens of engobes were prepared from a determined formulation by slip casting. Sintering was carried in two steps: (i) at constant heating rate of 7.5 degree centigrade/min and (ii) with an isothermal treatment, during 120 min. According to the dilatometric curves obtained with the engobe sintering during isothermal treatment, the dominant sintering mechanism and the rate of reactions, between the 775 and 975 degree centigrade, were determined. The results showed that between 775 and 800 degree centigrade, the sintering rate can be described by ln[d({Delta}L/L{sub 0})/dt] = -5.64 + 1.77.E10{sup -}3T. At higher temperatures, from 850 to 975 degree centigrade, this rate can be expressed by ln[d({Delta}L/L{sub 0})/ dt] = -30.73 + 3.E10{sup -}2T. The dominant transport mass mechanisms were the grain rearrangement, solution-precipitation and grain boundaries reaction. (Author)

Interfacial reaction of Ni{sub 3}Sn{sub 4} intermetallic compound in Ni/SnAg solder/Ni system under thermomigration

Energy Technology Data Exchange (ETDEWEB)

Yang, Yi-Shan; Yang, Chia-Jung; Ouyang, Fan-Yi, E-mail: fyouyang@ess.nthu.edu.tw

2016-07-25

The growth of Ni{sub 3}Sn{sub 4} intermetallic compound (IMC) between liquid–solid interface in micro-scale Ni/SnAg/Ni system was investigated under a temperature gradient of 160 °C/cm at 260 °C on a hot plate. In contrast to a symmetrical growth of Ni{sub 3}Sn{sub 4} on both interfaces under isothermally annealed at 260 °C, the interfacial Ni{sub 3}Sn{sub 4} IMC exhibited asymmetric growth under a temperature gradient; the growth of Ni{sub 3}Sn{sub 4} at cold interface was faster than that at hot side because of temperature gradient induced mass migration of Ni atoms from the hot end toward the cold end. It was found that two-stage growth behavior of Ni{sub 3}Sn{sub 4} IMC under a temperature gradient. A growth model was established and growth kinetic analysis suggested that the chemical potential gradient controlled the growth of Ni{sub 3}Sn{sub 4} at stage I (0–120 min) whereas the dynamic equilibrium between chemical potential gradient and temperature gradient forces was attained at the hot end at stage II (120–210 min). When dynamic equilibrium was achieved at 260 °C, the critical length-temperature gradient product at the hot end was experimentally estimated to be 489.18 μm × °C/cm and the moving velocity of Ni{sub 3}Sn{sub 4} interface due to Ni consumption was calculated to be 0.134 μm/h. The molar heat of transport (Q*) of Ni atoms in molten SnAg solder was calculated to be +0.76 kJ/mol. - Highlights: • Interfacial reaction in Ni/SnAg solder/Ni system under thermal gradient. • Growth rate of Ni{sub 3}Sn{sub 4} at cold end is faster than that at hot end. • Critical length-temperature gradient product at hot end is 489.2 μm°C/cm at 260 °C. • Velocity of Ni{sub 3}Sn{sub 4} moving interface is 0.134 μm/h during dynamic equilibrium. • Molar heat of transport (Q*) of Ni in molten SnAg was +0.76 kJ/mol.

Interfacial tension in systems involving TBP in dodecane, nitric acid, uranyl nitrate and water

International Nuclear Information System (INIS)

Kolarik, Z.; Pipkin, N.

1982-08-01

The interfacial tension was measured at 25 0 C in the systems TBP - n-dodecane/nitric acid - water and TBP - n-dodecane/nitric acid - uranyl nitrate - water. Empirical equations describing the interfacial tension as a function of the concentration of TBP in the starting organic phase and of uranium-(VI) and nitric acid in the equilibrium aqueous phase were suggested. In the absence of uranium (VI), the interfacial tension can also be correlated with the concentration of water in the equilibrium organic phase. Free TBP, hydrated or nonhydrated, and hydrated TBP solvates of nitric acid are interfacially active. Anhydrous TBP solvates of nitric acid and the TBP solvate of uranyl nitrate, which neither is hydrated, do not exhibit any visible interfacial activity. (orig.) [de

Subthreshold slope as a measure of interfacial trap density in pentacene films

International Nuclear Information System (INIS)

Kwon, Yongwoo; Park, Byoungnam

2016-01-01

Electrical properties in organic field effect transistors (FETs) are dominated by charge transport in the accumulation layer, few molecular layers close to the gate dielectric. Through comparison of the subthreshold slope between monolayer (ML) and thick pentacene FETs, formation of the second layer islands on top of the complete first layer is found to be crucial in determining the charge transport in ML pentacene FETs. It is demonstrated that a pentacene ML field effect transistor (FET) is an excellent probe that can detect electronic states of organic semiconductors interfacing with the gate dielectric at nanometer scale. Far higher sub-threshold slope in ML FETs, as a measure of interfacial charge trap density, than that in thick pentacene FETs is translated that the path of the induced carriers in ML FETs is limited into the molecular layer interfacing with the gate dielectric with a high density of charge traps, while carriers in thicker films have alternative pathways through more electrically conductive layer above the first layer with much less trap density. - Highlights: • Sub-threshold slope is demonstrated to be a measure of interface traps. • For application to sensors, effective charge transport layer should be chosen. • Monolayer transistors can be used as a platform for probing localized states.

Subthreshold slope as a measure of interfacial trap density in pentacene films

Energy Technology Data Exchange (ETDEWEB)

Kwon, Yongwoo; Park, Byoungnam, E-mail: metalpbn@hongik.ac.kr

2016-01-29

Electrical properties in organic field effect transistors (FETs) are dominated by charge transport in the accumulation layer, few molecular layers close to the gate dielectric. Through comparison of the subthreshold slope between monolayer (ML) and thick pentacene FETs, formation of the second layer islands on top of the complete first layer is found to be crucial in determining the charge transport in ML pentacene FETs. It is demonstrated that a pentacene ML field effect transistor (FET) is an excellent probe that can detect electronic states of organic semiconductors interfacing with the gate dielectric at nanometer scale. Far higher sub-threshold slope in ML FETs, as a measure of interfacial charge trap density, than that in thick pentacene FETs is translated that the path of the induced carriers in ML FETs is limited into the molecular layer interfacing with the gate dielectric with a high density of charge traps, while carriers in thicker films have alternative pathways through more electrically conductive layer above the first layer with much less trap density. - Highlights: • Sub-threshold slope is demonstrated to be a measure of interface traps. • For application to sensors, effective charge transport layer should be chosen. • Monolayer transistors can be used as a platform for probing localized states.

Interfacial fracture of dentin adhesively bonded to quartz-fiber reinforced composite

International Nuclear Information System (INIS)

Melo, Renata M.; Rahbar, Nima; Soboyejo, Wole

2011-01-01

The paper presents the results of an experimental study of interfacial failure in a multilayered structure consisting of a dentin/resin cement/quartz-fiber reinforced composite (FRC). Slices of dentin close to the pulp chamber were sandwiched by two half-circle discs made of a quartz-fiber reinforced composite, bonded with bonding agent (All-bond 2, BISCO, Schaumburg) and resin cement (Duo-link, BISCO, Schaumburg) to make Brazil-nut sandwich specimens for interfacial toughness testing. Interfacial fracture toughness (strain energy release rate, G) was measured as a function of mode mixity by changing loading angles from 0 deg. to 15 deg. The interfacial fracture surfaces were then examined using Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Spectroscopy (EDX) to determine the failure modes when loading angles changed. A computational model was also developed to calculate the driving forces, stress intensity factors and mode mixities. Interfacial toughness increased from ∼ 1.5 to 3.2 J/m 2 when the loading angle increases from ∼ 0 to 15 deg. The hybridized dentin/cement interface appeared to be tougher than the resin cement/quartz-fiber reinforced epoxy. The Brazil-nut sandwich specimen was a suitable method to investigate the mechanical integrity of dentin/cement/FRC interfaces.

Chemical mass transport between fluid fine tailings and the overlying water cover of an oil sands end pit lake

Science.gov (United States)

Dompierre, Kathryn A.; Barbour, S. Lee; North, Rebecca L.; Carey, Sean K.; Lindsay, Matthew B. J.

2017-06-01

Fluid fine tailings (FFT) are a principal by-product of the bitumen extraction process at oil sands mines. Base Mine Lake (BML)—the first full-scale demonstration oil sands end pit lake (EPL)—contains approximately 1.9 × 108 m3 of FFT stored under a water cover within a decommissioned mine pit. Chemical mass transfer from the FFT to the water cover can occur via two key processes: (1) advection-dispersion driven by tailings settlement; and (2) FFT disturbance due to fluid movement in the water cover. Dissolved chloride (Cl) was used to evaluate the water cover mass balance and to track mass transport within the underlying FFT based on field sampling and numerical modeling. Results indicated that FFT was the dominant Cl source to the water cover and that the FFT is exhibiting a transient advection-dispersion mass transport regime with intermittent disturbance near the FFT-water interface. The advective pore water flux was estimated by the mass balance to be 0.002 m3 m-2 d-1, which represents 0.73 m of FFT settlement per year. However, the FFT pore water Cl concentrations and corresponding mass transport simulations indicated that advection rates and disturbance depths vary between sample locations. The disturbance depth was estimated to vary with location between 0.75 and 0.95 m. This investigation provides valuable insight for assessing the geochemical evolution of the water cover and performance of EPLs as an oil sands reclamation strategy.

Biomimetic Interfacial Electron-Induced Electrochemiluminesence.

Science.gov (United States)

Pu, Guiqiang; Zhang, Dongxu; Mao, Xiang; Zhang, Zhen; Wang, Huan; Ning, Xingming; Lu, Xiaoquan

2018-04-17

We provide here, for the first time, a new interfacial electron-induced electrochemiluminescence (IEIECL) system, realizing bionic construction of bioluminescence (BL) by exploiting electrochemiluminescence (ECL) and ITIES (the interface between two immiscible electrolyte solutions). Significantly, the superiority of the IEIECL system is embodied with the solution of the two bottlenecks encountered in the conventional ECL innovation: that are (a) the applications of hydrophobic luminophores in more commonly used aqueous solution are inhibited tremendously due to the poor inherent solubility and the instability of radicals and (b) the analytes, insoluble in water, are hard to be discovered in an aqueous system because of too little content. More productive IEIECL radiation, analogous to BL, originates from the triplet excited state porphyrin in comparison to the homogeneous ECL. The mechanism of IEIECL, as well as the interaction mechanism between IEIECL and charge transfer (comprising electron transfer (ET), ion transfer (IT), and facilitated ion transfer (FIT)) at the ITIES, are explored in detail. Finally, we emphasize the actual application potential of the IEIECL system with the detection of cytochrome c (Cyt c); it is a key biomolecule in the electron transport chain in the process of biological oxidation and is also an intermediate species in apoptosis. Potentially, the IEIECL system permits ones to explore the lifetime and diffusion path of free radicals, as well as imparting a possibility for the construction of a bionic sensor.

An application of the 'end-point' method to the minimum critical mass problem in two group transport theory

International Nuclear Information System (INIS)

Williams, M.M.R.

2003-01-01

A two group integral equation derived using transport theory, which describes the fuel distribution necessary for a flat thermal flux and minimum critical mass, is solved by the classical end-point method. This method has a number of advantages and in particular highlights the changing behaviour of the fissile mass distribution function in the neighbourhood of the core-reflector interface. We also show how the reflector thermal flux behaves and explain the origin of the maximum which arises when the critical size is less than that corresponding to minimum critical mass. A comparison is made with diffusion theory and the necessary and somewhat artificial presence of surface delta functions in the fuel distribution is shown to be analogous to the edge transients that arise naturally in transport theory

Effect of antiferromagnetic interfacial coupling on spin-wave resonance frequency of multi-layer film

Energy Technology Data Exchange (ETDEWEB)

Qiu, Rong-ke, E-mail: rkqiu@163.com; Cai, Wei

2017-08-15

Highlights: • A quantum approach is developed to study the SWR of a bicomponent multi-layer films. • The comparison of the SWR in films with FM and AFM interfacial coupling has been made. • The present results show the method to enhance and adjust the SWR frequency of films. - Abstract: We investigate the spin-wave resonance (SWR) frequency in a bicomponent bilayer and triple-layer films with antiferromagnetic or ferromagnetic interfacial couplings, as function of interfacial coupling, surface anisotropy, interface anisotropy, thickness and external magnetic field, using the linear spin-wave approximation and Green’s function technique. The microwave properties for multi-layer magnetic film with antiferromagnetic interfacial coupling is different from those for multi-layer magnetic film with ferromagnetic interfacial coupling. For the bilayer film with antiferromagnetic interfacial couplings, as the lower (upper) surface anisotropy increases, only the SWR frequencies of the odd (even) number modes increase. The lower (upper) surface anisotropy does not affect the SWR frequencies of the even (odd) number modes{sub .} For the multi-layer film with antiferromagnetic interfacial coupling, the SWR frequency of modes m = 1, 3 and 4 decreases while that of mode m = 2 increases with increasing thickness of the film within a proper parameter region. The present results could be useful in enhancing our fundamental understanding and show the method to enhance and adjust the SWR frequency of bicomponent multi-layer magnetic films with antiferromagnetic or ferromagnetic interfacial coupling.

Application of a new concept for multi-scale interfacial structures to the dam-break case with an obstacle

Energy Technology Data Exchange (ETDEWEB)

Hänsch, Susann, E-mail: s.haensch@hzdr.de; Lucas, Dirk; Höhne, Thomas; Krepper, Eckhard

2014-11-15

Highlights: • A concept for modeling transitions between different gaseous morphologies is presented. • The Eulerian multi-field model includes dispersed and continuous gas phases. • Interfacial transfer models are found considering free surfaces within MUSIG framework. • A new source term for sub-grid waves and instabilities is introduced. - Abstract: New results of a generalized concept developed for the simulation of two-phase flows with multi-scale interfacial structures are presented in this paper. By extending the inhomogeneus Multiple Size Group-model, the concept enables transitions between dispersed and continuous gas morphologies, including the appearance and evanescence of one of these particular gas phases. Adequate interfacial transfer formulations, which are consistent with such an approach, are introduced for interfacial area density and drag. A new drag-formulation considers shear stresses occurring within the free surface area. The application of the concept to a collapsing water column demonstrates the breakup of continuous gas into a polydispersed phase forming different bubble sizes underneath the free surface. Thus, both resolved free surface structures as well as the entrainment of bubbles and their coalescence and breakup underneath the surface can be described in the same time. The simulations have been performed with the CFD-code CFX 14.0 and will be compared with experimental images. The paper will further investigate the possible improvement of such free surface simulations by including sub-grid information about small waves and instabilities at the free surface. A comparison of the results will be used for a discussion of possible new mass transfer models between filtered free surface areas and dispersed bubble size groups as part of the future work.

Tomography based determination of permeability, Dupuit-Forchheimer coefficient, and interfacial heat transfer coefficient in reticulate porous ceramics

International Nuclear Information System (INIS)

Petrasch, Joerg; Meier, Fabian; Friess, Hansmartin; Steinfeld, Aldo

2008-01-01

A computer tomography based methodology is applied to determine the transport properties of fluid flow across porous media. A 3D digital representation of a 10-ppi reticulate porous ceramic (RPC) sample was generated by X-ray tomographic scans. Structural properties such as the porosity, specific interfacial surface area, pore-size distribution, mean survival time, two-point correlation function s 2 , and local geometry distribution of the RPC sample are directly extracted from the tomographic data. Reference solutions of the fluid flow governing equations are obtained for Re = 0.2-200 by applying finite volume direct pore-level numerical simulation (DPLS) using unstructured, body-fitted, tetrahedral mesh discretization. The permeability and the Dupuit-Forchheimer coefficient are determined from the reference solutions by DPLS, and compared to the values predicted by selected porous media flow models, namely: conduit-flow, hydraulic radius theory, drag models, mean survival time bound, s 2 -bound, fibrous bed correlations, and local porosity theory-based models. DPLS is further employed to determine the interfacial heat transfer coefficient and to derive a corresponding Nu-correlation, which is compared to empirical correlations

Frontiers of interfacial water research :workshop report.

Energy Technology Data Exchange (ETDEWEB)

Cygan, Randall Timothy; Greathouse, Jeffery A.

2005-10-01

Water is the critical natural resource of the new century. Significant improvements in traditional water treatment processes require novel approaches based on a fundamental understanding of nanoscale and atomic interactions at interfaces between aqueous solution and materials. To better understand these critical issues and to promote an open dialog among leading international experts in water-related specialties, Sandia National Laboratories sponsored a workshop on April 24-26, 2005 in Santa Fe, New Mexico. The ''Frontiers of Interfacial Water Research Workshop'' provided attendees with a critical review of water technologies and emphasized the new advances in surface and interfacial microscopy, spectroscopy, diffraction, and computer simulation needed for the development of new materials for water treatment.

Materials with engineered mesoporosity for programmed mass transport

Science.gov (United States)

Gough, Dara V.

Transport in nanostructured materials is of great interest for scientists in various fields, including molecular sequestration, catalysis, artificial photosynthesis and energy storage. This thesis will present work on the transport of molecular and ionic species in mesoporous materials (materials with pore sizes between 2 and 50 nm). Initially, discussion will focus on the synthesis of mesoporous ZnS nanorattles and the size selected mass transport of small molecules through the mesopores. Discussion will then shift of exploration of cation exchange and electroless plating of metals to alter the mesoporous hollow sphere (MHS) materials and properties. The focus of discussion will then shift to the transport of ions into and out of a hierarchically structured gold electrode. Finally, a model gamma-bactiophage was developed to study the electromigration of charged molecules into and out of a confined geometry. A catalytically active biomolecular species was encapsulated within the central cavity of ZnS MHS. Both the activity of the encapsulated enzyme and the size-selective transport through the wall of the MHS were verified through the use of a common fluorogen, hydrogen peroxide, and sodium azide. Additionally, the protection of the enzyme was shown through size-selected blocking of a protease. The mesoporous hollow sphere system introduces size-selectivity to catalyzed chemical reactions; future work may include variations in pore sizes, and pore wall chemical functionalization. The pore size in ZnS mesoporous hollow spheres is controlled between 2.5 and 4.1 nm through swelling of the lyotropic liquid crystal template. The incorporation of a swelling agent is shown to linearly vary the hexagonal lyotropic liquid crystalline phase, which templates the mesopores, while allowing the high fidelity synthesis of mesoporous hollow spheres. Fluorescnently labeled ssDNA was utilized as a probe to explore the change in mesopore permeability afforded by the swollen template

Identification of biomolecule mass transport and binding rate parameters in living cells by inverse modeling

Directory of Open Access Journals (Sweden)

Shirmohammadi Adel

2006-10-01

Full Text Available Abstract Background Quantification of in-vivo biomolecule mass transport and reaction rate parameters from experimental data obtained by Fluorescence Recovery after Photobleaching (FRAP is becoming more important. Methods and results The Osborne-Moré extended version of the Levenberg-Marquardt optimization algorithm was coupled with the experimental data obtained by the Fluorescence Recovery after Photobleaching (FRAP protocol, and the numerical solution of a set of two partial differential equations governing macromolecule mass transport and reaction in living cells, to inversely estimate optimized values of the molecular diffusion coefficient and binding rate parameters of GFP-tagged glucocorticoid receptor. The results indicate that the FRAP protocol provides enough information to estimate one parameter uniquely using a nonlinear optimization technique. Coupling FRAP experimental data with the inverse modeling strategy, one can also uniquely estimate the individual values of the binding rate coefficients if the molecular diffusion coefficient is known. One can also simultaneously estimate the dissociation rate parameter and molecular diffusion coefficient given the pseudo-association rate parameter is known. However, the protocol provides insufficient information for unique simultaneous estimation of three parameters (diffusion coefficient and binding rate parameters owing to the high intercorrelation between the molecular diffusion coefficient and pseudo-association rate parameter. Attempts to estimate macromolecule mass transport and binding rate parameters simultaneously from FRAP data result in misleading conclusions regarding concentrations of free macromolecule and bound complex inside the cell, average binding time per vacant site, average time for diffusion of macromolecules from one site to the next, and slow or rapid mobility of biomolecules in cells. Conclusion To obtain unique values for molecular diffusion coefficient and

Electrodeposition of enzymes-integrated mesoporous composite films by interfacial templating: A paradigm for electrochemical biosensors

International Nuclear Information System (INIS)

Wang, Dongming; Tan, Yiwei

2014-01-01

The development of nanostructured electrodes for electrochemical biosensors is of significant interest for modern detection, portable devices, and enhanced performance. However, development of such sensors still remains challenging due to the time-consuming, detriment-to-nature, and costly modifications of both electrodes and enzymes. In this work, we report a simple one-step approach to fabricating high-performance, direct electron transfer (DET) based nanoporous enzyme-embedded electrodes by electrodeposition coupled with recent progress in potential-controlled interfacial surfactant assemblies. In contrast to those previously electrodeposited mesoporous materials that are not bioactive, we imparted the biofunctionality to electrodeposited mesoporous thin films by means of the amphiphilic phospholipid templates strongly interacting with enzymes. Thus, phospholipid-templated mesoporous ZnO films covalently inlaid with the pristine enzymes were prepared by simple one-step electrodeposition. We further demonstrate two examples of such hybrid film electrodes embedded with alcohol dehydrogenase (ADH) and glucose oxidase (GOx), which are effectively employed as electrochemical biosensors for amperometric sensing of ethanol and glucose without using any electron relays. The favorable mass transport and large contact surface area provided by nanopores play an important role in improving the performance of these two biosensors, such as excellent sensitivities, low detection limits, and fast response. The matrix mesoporous films acting as effective electronic bridges are responsible for DET between enzyme molecules and metal electrode

Phonon transport in a one-dimensional harmonic chain with long-range interaction and mass disorder

Science.gov (United States)

Zhou, Hangbo; Zhang, Gang; Wang, Jian-Sheng; Zhang, Yong-Wei

2016-11-01

Atomic mass and interatomic interaction are the two key quantities that significantly affect the heat conduction carried by phonons. Here, we study the effects of long-range (LR) interatomic interaction and mass disorder on the phonon transport in a one-dimensional harmonic chain with up to 105 atoms. We find that while LR interaction reduces the transmission of low-frequency phonons, it enhances the transmission of high-frequency phonons by suppressing the localization effects caused by mass disorder. Therefore, LR interaction is able to boost heat conductance in the high-temperature regime or in the large size regime, where the high-frequency modes are important.

Effects of radiation transport on mass ablation rate and conversion efficiency in numerical simulations of inertial confinement fusion

International Nuclear Information System (INIS)

Gupta, N.K.

2002-01-01

The effects of radiation transport on hydrodynamic parameters of laser produced plasmas are studied. LTE and non-LTE atomic models are used to calculate multi group opacities and emissivities. Screened hydrogenic atom model is used to calculate the energy levels. The population densities of neutral to fully ionized ions are obtained by solving the steady state rate equations. Radiation transport is treated in multi-group diffusion or Sn method. A comparison is made between 1 and 100 group radiation transport and LTE and non-LTE models. For aluminium, multi group radiation transport leads to much higher mass ablation as compared to the 1 group and no radiation transport cases. This in turn leads to higher ablation pressures. However, for gold gray approximation gives higher mass ablation as compared to multi group simulations. LTE conversion efficiency of laser light into x-rays is more than the non-LTE estimates. For LTE as well as non-LTE cases, the one group approximation over-predicts the conversion efficiency Multi group non-LTE simulations predict that the conversion efficiency increases with laser intensity up to a maximum and then it decreases. (author)

Interfacial tensions of binary mixtures of ethanol with octane, decane, dodecane, and tetradecane

International Nuclear Information System (INIS)

Mejia, Andres; Cartes, Marcela; Segura, Hugo

2011-01-01

Highlights: → Experimental interfacial tensions in binary mixtures with aneotropic behavior. → Experimental interfacial tensions for ethanol + hydrocarbon mixtures. → Aneotropic displacement in ethanol mixtures. - Abstract: This contribution is devoted to the experimental characterization of interfacial tensions of a representative group of binary mixtures pertaining to the (ethanol + linear hydrocarbon) series (i.e. octane, decane, dodecane, and tetradecane). Experimental measurements were isothermically performed using a maximum differential bubble pressure technique, which was applied over the whole mole fraction range and over the temperature range 298.15 K < T/K < 318.15 K. Experimental results show that the interfacial tensions of (ethanol + octane or decane) negatively deviate from the linear behavior and that sharp minimum points on concentration, or aneotropes, are observed for each isotherm. The interfacial tensions of (ethanol + dodecane or tetradecane), in turn, are characterized by combined deviations from the linear behavior, and inflecting behavior observed on concentration for each isotherm. The experimental evidence also shows that these latter mixtures are close to exhibit aneotropy. For the case of (ethanol + octane or decane) mixtures, aneotropy was clearly induced by the similarity of the interfacial tension values of the constituents. The inflecting behavior of the interfacial tensions of (ethanol + dodecane or tetradecane), in turn, was observed in the vicinity of the coordinates of the critical point of these mixtures, thus pointing to the fact that the quasi-aneotropic singularity that affects these mixtures was provoked by the proximity of an immiscibility gap of the liquid phase. Finally, the experimental data of interfacial tensions were smoothed with the Scott-Myers expansion, from which it is possible to conclude that the observed aneotropic concentrations weakly depend on temperature for all the analyzed mixtures.

Iridium Interfacial Stack (IRIS)

Science.gov (United States)

Spry, David James (Inventor)

2015-01-01

An iridium interfacial stack ("IrIS") and a method for producing the same are provided. The IrIS may include ordered layers of TaSi.sub.2, platinum, iridium, and platinum, and may be placed on top of a titanium layer and a silicon carbide layer. The IrIS may prevent, reduce, or mitigate against diffusion of elements such as oxygen, platinum, and gold through at least some of its layers.

Multicomponent mass transport model: theory and numerical implementation (discrete-parcel-random-walk version)

International Nuclear Information System (INIS)

Ahlstrom, S.W.; Foote, H.P.; Arnett, R.C.; Cole, C.R.; Serne, R.J.

1977-05-01

The Multicomponent Mass Transfer (MMT) Model is a generic computer code, currently in its third generation, that was developed to predict the movement of radiocontaminants in the saturated and unsaturated sediments of the Hanford Site. This model was designed to use the water movement patterns produced by the unsaturated and saturated flow models coupled with dispersion and soil-waste reaction submodels to predict contaminant transport. This report documents the theorical foundation and the numerical solution procedure of the current (third) generation of the MMT Model. The present model simulates mass transport processes using an analog referred to as the Discrete-Parcel-Random-Walk (DPRW) algorithm. The basic concepts of this solution technique are described and the advantages and disadvantages of the DPRW scheme are discussed in relation to more conventional numerical techniques such as the finite-difference and finite-element methods. Verification of the numerical algorithm is demonstrated by comparing model results with known closed-form solutions. A brief error and sensitivity analysis of the algorithm with respect to numerical parameters is also presented. A simulation of the tritium plume beneath the Hanford Site is included to illustrate the use of the model in a typical application. 32 figs

Interfacial thermodynamics of water and six other liquid solvents.

Science.gov (United States)

Pascal, Tod A; Goddard, William A

2014-06-05

We examine the thermodynamics of the liquid-vapor interface by direct calculation of the surface entropy, enthalpy, and free energy from extensive molecular dynamics simulations using the two-phase thermodynamics (2PT) method. Results for water, acetonitrile, cyclohexane, dimethyl sulfoxide, hexanol, N-methyl acetamide, and toluene are presented. We validate our approach by predicting the interfacial surface tensions (IFT--excess surface free energy per unit area) in excellent agreement with the mechanical calculations using Kirkwood-Buff theory. Additionally, we evaluate the temperature dependence of the IFT of water as described by the TIP4P/2005, SPC/Ew, TIP3P, and mW classical water models. We find that the TIP4P/2005 and SPC/Ew water models do a reasonable job of describing the interfacial thermodynamics; however, the TIP3P and mW are quite poor. We find that the underprediction of the experimental IFT at 298 K by these water models results from understructured surface molecules whose binding energies are too weak. Finally, we performed depth profiles of the interfacial thermodynamics which revealed long tails that extend far into what would be considered bulk from standard Gibbs theory. In fact, we find a nonmonotonic interfacial free energy profile for water, a unique feature that could have important consequences for the absorption of ions and other small molecules.

Interfacial thermal degradation in inverted organic solar cells

Energy Technology Data Exchange (ETDEWEB)

Greenbank, William; Hirsch, Lionel; Wantz, Guillaume; Chambon, Sylvain, E-mail: sylvain.chambon@ims-bordeaux.fr [University of Bordeaux, CNRS, Bordeaux INP, IMS, UMR 5218, F-33405 Talence (France)

2015-12-28

The efficiency of organic photovoltaic (OPV) solar cells is constantly improving; however, the lifetime of the devices still requires significant improvement if the potential of OPV is to be realised. In this study, several series of inverted OPV were fabricated and thermally aged in the dark in an inert atmosphere. It was demonstrated that all of the devices undergo short circuit current-driven degradation, which is assigned to morphology changes in the active layer. In addition, a previously unreported, open circuit voltage-driven degradation mechanism was observed that is highly material specific and interfacial in origin. This mechanism was specifically observed in devices containing MoO{sub 3} and silver as hole transporting layers and electrode materials, respectively. Devices with this combination were among the worst performing devices with respect to thermal ageing. The physical origins of this mechanism were explored by Rutherford backscattering spectrometry and atomic force microscopy and an increase in roughness with thermal ageing was observed that may be partially responsible for the ageing mechanism.

Interfacial phenomena as related to oil recovery mechanisms

Energy Technology Data Exchange (ETDEWEB)

Melrose, J C

1970-12-01

Thermodynamic and hydrostatic principles are applied to commingled immiscible fluid phases occupying the interstices fo a porous solid. Particular attention is given to the conditions of hydrostatic equilibrium for systems which include both fluid-fluid interfacial and 3-phase contact line regions. The configurational stability of fluid interfaces also is examined. Some model pore systems are considered, and estimates obtained for the magnitude of the hysteresis in capillary pressure in such cases. These considerations define the role of interfacial phenomena in determining the extent to which a nonwetting fluid can be displaced from a porous solid. (31 refs.)

Pursuing Polymer Dielectric Interfacial Effect in Organic Transistors for Photosensing Performance Optimization.

Science.gov (United States)

Wu, Xiaohan; Chu, Yingli; Liu, Rui; Katz, Howard E; Huang, Jia

2017-12-01

Polymer dielectrics in organic field-effect transistors (OFETs) are essential to provide the devices with overall flexibility, stretchability, and printability and simultaneously introduce charge interaction on the interface with organic semiconductors (OSCs). The interfacial effect between various polymer dielectrics and OSCs significantly and intricately influences device performance. However, understanding of this effect is limited because the interface is buried and the interfacial charge interaction is difficult to stimulate and characterize. Here, this challenge is overcome by utilizing illumination to stimulate the interfacial effect in various OFETs and to characterize the responses of the effect by measuring photoinduced changes of the OFETs performances. This systemic investigation reveals the mechanism of the intricate interfacial effect in detail, and mathematically explains how the photosensitive OFETs characteristics are determined by parameters including polar group of the polymer dielectric and the OSC side chain. By utilizing this mechanism, performance of organic electronics can be precisely controlled and optimized. OFETs with strong interfacial effect can also show a signal additivity caused by repeated light pulses, which is applicable for photostimulated synapse emulator. Therefore, this work enlightens a detailed understanding on the interface effect and provides novel strategies for optimizing OFET photosensory performances.

Ionic Liquids as the MOFs/Polymer Interfacial Binder for Efficient Membrane Separation.

Science.gov (United States)

Lin, Rijia; Ge, Lei; Diao, Hui; Rudolph, Victor; Zhu, Zhonghua

2016-11-23

Obtaining strong interfacial affinity between filler and polymer is critical to the preparation of mixed matrix membranes (MMMs) with high separation efficiency. However, it is still a challenge for micron-sized metal organic frameworks (MOFs) to achieve excellent compatibility and defect-free interface with polymer matrix. Thin layer of ionic liquid (IL) was immobilized on micron-sized HKUST-1 to eliminate the interfacial nonselective voids in MMMs with minimized free ionic liquid (IL) in polymer matrix, and then the obtained IL decorated HKUST-1 was incorporated into 4,4'-(hexafluoroisopropylidene)diphthalic anhydride-2,3,5,6-tetramethyl-1,3-phenyldiamine (6FDA-Durene) to fabricate MMMs. Acting as a filler/polymer interfacial binder, the favorable MOF/IL and IL/polymer interaction can facilitate the enhancement of MOF/polymer affinity. Compared to MMM with only HKUST-1 incorporation, MMM with IL decorated HKUST-1 succeeded in restricting the formation of nonselective interfacial voids, leading to an increment in CO 2 selectivity. The IL decoration method can be an effective approach to eliminate interfacial voids in MMMs, extending the filler selection to a wide range of large-sized fillers.

Interfacial free energy and stiffness of aluminum during rapid solidification

International Nuclear Information System (INIS)

Brown, Nicholas T.; Martinez, Enrique; Qu, Jianmin

2017-01-01

Using molecular dynamics simulations and the capillary fluctuation method, we have calculated the anisotropic crystal-melt interfacial free energy and stiffness of aluminum in a rapid solidification system where a temperature gradient is applied to enforce thermal non-equilibrium. To calculate these material properties, the standard capillary fluctuation method typically used for systems in equilibrium has been modified to incorporate a second-order Taylor expansion of the interfacial free energy term. The result is a robust method for calculating interfacial energy, stiffness and anisotropy as a function of temperature gradient using the fluctuations in the defined interface height. This work includes the calculation of interface characteristics for temperature gradients ranging from 11 to 34 K/nm. The captured results are compared to a thermal equilibrium case using the same model and simulation technique with a zero gradient definition. We define the temperature gradient as the change in temperature over height perpendicular to the crystal-melt interface. The gradients are applied in MD simulations using defined thermostat regions on a stable solid-liquid interface initially in thermal equilibrium. The results of this work show that the interfacial stiffness and free energy for aluminum are dependent on the magnitude of the temperature gradient, however the anisotropic parameters remain independent of the non-equilibrium conditions applied in this analysis. As a result, the relationships of the interfacial free energy/stiffness are determined to be linearly related to the thermal gradient, and can be interpolated to find material characteristics at additional temperature gradients.

Accurate determination of interfacial protein secondary structure by combining interfacial-sensitive amide I and amide III spectral signals.

Science.gov (United States)

Ye, Shuji; Li, Hongchun; Yang, Weilai; Luo, Yi

2014-01-29

Accurate determination of protein structures at the interface is essential to understand the nature of interfacial protein interactions, but it can only be done with a few, very limited experimental methods. Here, we demonstrate for the first time that sum frequency generation vibrational spectroscopy can unambiguously differentiate the interfacial protein secondary structures by combining surface-sensitive amide I and amide III spectral signals. This combination offers a powerful tool to directly distinguish random-coil (disordered) and α-helical structures in proteins. From a systematic study on the interactions between several antimicrobial peptides (including LKα14, mastoparan X, cecropin P1, melittin, and pardaxin) and lipid bilayers, it is found that the spectral profiles of the random-coil and α-helical structures are well separated in the amide III spectra, appearing below and above 1260 cm(-1), respectively. For the peptides with a straight backbone chain, the strength ratio for the peaks of the random-coil and α-helical structures shows a distinct linear relationship with the fraction of the disordered structure deduced from independent NMR experiments reported in the literature. It is revealed that increasing the fraction of negatively charged lipids can induce a conformational change of pardaxin from random-coil to α-helical structures. This experimental protocol can be employed for determining the interfacial protein secondary structures and dynamics in situ and in real time without extraneous labels.

Improving Multi-Functional Properties in Polymer Based Nano Composites by Interfacial

Science.gov (United States)

Tajaddod, Navid

Polymer nanocomposites (PNCs) have become an area of increasing interest for study in the field of polymer science and technology since the rise of nanotechnology research. Despite the significant amount of progress being made towards producing high quality PNC materials, improvement in the mechanical, electrical, thermal and other functional properties still remain a challenge. To date, these properties are only a fraction of the expected theoretical values predicted for these materials. Development of interfacial regions between the filler and matrix within the composite has been found to be an important focus in terms of processing. Proper interfacial control and development may ensure excellent interaction and property transfer between the filler and polymer matrix in addition to improvement of multi-functional properties of PNCs. The property-structure importance for the existence of the interfacial and interphase region within PNCs is discussed in this thesis work. Two specific PNC systems are selected for study as part of this dissertation in order to understand the effect of interfacial region development on influencing multi-functional property trends. Polyethylene (PE)/boron nitride (BN) and polyacrylonitrile (PAN)/carbon nanotube (CNT) composites were selected to investigate their mechanical performance and thermal and electrical conductivity properties, respectively. For these systems it was found that the interfacial region structure is directly related to the enhancement of the subsequent multi-functional properties.

Dusty air masses transport between Amazon Basin and Caribbean Islands

Science.gov (United States)

Euphrasie-Clotilde, Lovely; Molinie, Jack; Prospero, Joseph; Feuillard, Tony; Brute, Francenor; Jeannot, Alexis

2015-04-01

Depend on the month, African desert dust affect different parts of the North Atlantic Ocean. From December to April, Saharan dust outbreaks are often reported over the amazon basin and from May to November over the Caribbean islands and the southern regions of USA. This annual oscillation of Saharan dust presence, related to the ITCZ position, is perturbed some time, during March. Indeed, over Guadeloupe, the air quality network observed between 2007 and 2012 several dust events during March. In this paper, using HISPLIT back trajectories, we analyzed air masses trajectories for March dust events observed in Guadeloupe, from 2007 to 2012.We observed that the high pressure positions over the Atlantic Ocean allow the transport of dusty air masses from southern region of West Africa to the Caribbean Sea with a path crossing close to coastal region of French Guyana. Complementary investigations including the relationship between PM10 concentrations recorded in two sites Pointe-a-Pitre in the Caribbean, and Cayenne in French Guyana, have been done. Moreover we focus on the mean delay observed between the times arrival. All the results show a link between pathway of dusty air masses present over amazon basin and over the Caribbean region during several event of March. The next step will be the comparison of mineral dust composition for this particular month.

Monoporous micropillar wick structures, I-Mass transport characteristics

International Nuclear Information System (INIS)

Ravi, Saitej; Horner, David; Moghaddam, Saeed

2014-01-01

This paper is the first of a two-part study concerning the relation between the geometry of micropillar array wicks and their thermohydraulic performance. In this paper, a parametric study of pillar array geometries is conducted, and the efficacies of existing capillary pressure and permeability models in predicting the experimental results are examined. A new method is utilized to independently measure the permeability and capillary pressure of a wick structure. A permeability model based on creeping flow past infinitely long cylinders, corrected to account for the effect of meniscus curvature on mass flow rate through pillar arrays with a limited height, closely predicts the experimental data. Also, a model that relates the capillary pressure to the wick geometry using a thermodynamic approach better predicts the experimental results. The approach adopted by this model involves using a surface energy minimization algorithm to determine the shape of the meniscus within the pillars. These permeability and capillary pressure models were coupled with Darcy's law for fluid flow to obtain an overall expression for flow through micropillar arrays. The overall model is utilized in the second part of this study to determine optimized micropillar wick geometries and the theoretical limits of their performance. - Highlights: • New method for independent measurement of capillary pressure and permeability. • Validated various capillary pressure and permeability models from literature. • Overall model to characterize mass transport capacity of micropillar arrays

Thermal convection loop experiments and analysis of mass transport process in Lithium/Fe-12Cr-1MoVW systems

International Nuclear Information System (INIS)

Bell, G.E.C.

1988-01-01

Lithium is an attractive coolant and breeder material for first- generation fusion reactor blankets. The compatibility of lithium with structural alloys, in the form of mass transport and deposition, may impose restrictions on blanket operating parameters such as temperature and lithium purity. A ferritic steel, such as Fe-12CrlMoVW, is a candidate for use as a structural alloy in a self-cooled lithium blanket design. Experimental data on mass transport in lithium/Fe-12CrlMoVW were obtained from two thermal convection loops which spanned the fusion relevant temperature range; one operated from 360 to 505/degree/C for 3040 hours and the other from 525 to 655/degree/C for 2510 hours. The experimental effort was supported by analysis of the mechanisms and processes of mass transport and deposition. It was found that mass transport and deposition, as measured by specimen weight change, were not simple functions of temperature for the entire temperature range investigated. The mass transfer behavior and surface morphology at low temperatures were dominated by impurity reactions of nitrogen and carbon in the lithium with the steel. In the experiment between 360 and 505/degree/C, nitrogen levels were sufficient below 450/degree/C to allow the formation of the adherent, protective corrosion product Li 9 CrN 5 . Weight losses in the 360 to 505/degree/C experiment were insensitive to temperature below 450/degree/C. Between 450 and 505/degree/C, the precipitation of carbon in the form of chromium-rich M 23 C 6 (M = Fe or Cr) carbides, due to the formation of Li 9 CrN 5 and corresponding release of carbon, resulted in weight gains for the highest temperature specimens in the experiment. 98 refs., 83 figs., 9 tabs

Using mass spectrometry for identification of ABC transporters from Xanthomonas citri and mutants expressed in different growth conditions

International Nuclear Information System (INIS)

Faria, J.N.; Balan, A.; Paes Leme, A.F.

2012-01-01

Full text: Xanthomonas citri is a phytopathogenic bacterium that infects citrus plants causing significant losses for the economy. In our group, we have focused on the identification and characterization of ABC transport proteins of this bacterium, in order to determinate their function for growth in vitro and in vivo, during infection. ABC transporters represent one of the largest families of proteins, which transport since small molecules as ions up to oligopeptides and sugars. In prokaryotic cells many works have reported the ABC transport function in pathogenesis, resistance, biofilm formation, infectivity and DNA repair, but until our knowledge, there is no data related to these transporters and X. citri. So, In order to determinate which transporters are expressed in X. citri, we started a proteomic analysis based on mono and bi-dimensional gels associated to mass spectrometry analyses. After growing X. citri and two different mutants deleted for ssuA and nitA genes in LB and minimum media, cellular extracts were obtained and used for preparation of mono and bi-dimensional gels. Seven bands covering the expected mass of ABC transporter components (20 kDa to 50 kDa) in SDS-PAGE were cut off the gel, treated with trypsin and submitted to the MS for protein identification. The results of 2D gels were good enough and will serve as a standard for development of similar experiments in large scale. (author)

Modelling the effect of acoustic waves on the thermodynamics and kinetics of phase transformation in a solution: Including mass transportation.

Science.gov (United States)

Haqshenas, S R; Ford, I J; Saffari, N

2018-01-14

Effects of acoustic waves on a phase transformation in a metastable phase were investigated in our previous work [S. R. Haqshenas, I. J. Ford, and N. Saffari, "Modelling the effect of acoustic waves on nucleation," J. Chem. Phys. 145, 024315 (2016)]. We developed a non-equimolar dividing surface cluster model and employed it to determine the thermodynamics and kinetics of crystallisation induced by an acoustic field in a mass-conserved system. In the present work, we developed a master equation based on a hybrid Szilard-Fokker-Planck model, which accounts for mass transportation due to acoustic waves. This model can determine the kinetics of nucleation and the early stage of growth of clusters including the Ostwald ripening phenomenon. It was solved numerically to calculate the kinetics of an isothermal sonocrystallisation process in a system with mass transportation. The simulation results show that the effect of mass transportation for different excitations depends on the waveform as well as the imposed boundary conditions and tends to be noticeable in the case of shock waves. The derivations are generic and can be used with any acoustic source and waveform.

Calculation of Interfacial Tensions of Hydrocarbon-water Systems under Reservoir Conditions

DEFF Research Database (Denmark)

Zuo, You-Xiang; Stenby, Erling Halfdan

1998-01-01

Assuming that the number densities of each component in a mixture are linearly distributed across the interface between the coexisting vapor-liquid or liquid-liquid phases, we developed in this research work a linear-gradient-theory (LGT) model for computing the interfacial tension of hydrocarbon......-brine systems. The new model was tested on a number of hydrocarbon-water/brine mixtures and two crude oil-water systems under reservoir conditions. The results show good agreement between the predicted and the experimental interfacial tension data.......Assuming that the number densities of each component in a mixture are linearly distributed across the interface between the coexisting vapor-liquid or liquid-liquid phases, we developed in this research work a linear-gradient-theory (LGT) model for computing the interfacial tension of hydrocarbon-water...... mixtures on the basis of the SRK equation of state. With this model, it is unnecessary to solve the time-consuming density-profile equations of the gradient-theory model. In addition, a correlation was developed for representing the effect of electrolytes on the interfacial tension of hydrocarbon...

Tungsten oxides as interfacial layers for improved performance in hybrid optoelectronic devices

International Nuclear Information System (INIS)

Vasilopoulou, M.; Palilis, L.C.; Georgiadou, D.G.; Argitis, P.; Kennou, S.; Kostis, I.; Papadimitropoulos, G.; Stathopoulos, N.A.; Iliadis, A.A.; Konofaos, N.; Davazoglou, D.; Sygellou, L.

2011-01-01

Tungsten oxide (WO 3 ) films with thicknesses ranging from 30 to 100 nm were grown by Hot Filament Vapor Deposition (HFVD). Films were studied by X-Ray Photoemission Spectroscopy (XPS) and were found to be stoichiometric. The surface morphology of the films was characterized by Atomic Force Microscopy (AFM). Samples had a granular form with grains in the order of 100 nm. The surface roughness was found to increase with film thickness. HFVD WO 3 films were used as conducting interfacial layers in advanced hybrid organic-inorganic optoelectronic devices. Hybrid-Organic Light Emitting Diodes (Hy-OLEDs) and Organic Photovoltaics (Hy-OPVs) were fabricated with these films as anode and/or as cathode interfacial conducting layers. The Hy-OLEDs showed significantly higher current density and a lower turn-on voltage when a thin WO 3 layer was inserted at the anode/polymer interface, while when inserted at the cathode/polymer interface the device performance was found to deteriorate. The improvement was attributed to a more efficient hole injection and transport from the Fermi level of the anode to the Highest Occupied Molecular Orbital (HOMO) of a yellow emitting copolymer (YEP). On the other hand, the insertion of a thin WO 3 layer at the cathode/polymer interface of Hy-OPV devices based on a polythiophene-fullerene bulk-heterojunction blend photoactive layer resulted in an increase of the produced photogenerated current, more likely due to improved electron extraction at the Al cathode.

Pore-scale investigation of mass transport and electrochemistry in a solid oxide fuel cell anode

Energy Technology Data Exchange (ETDEWEB)

Grew, Kyle N.; Joshi, Abhijit S.; Peracchio, Aldo A.; Chiu, Wilson K.S. [Department of Mechanical Engineering, University of Connecticut, 191 Auditorium Road, Storrs, CT 06269-3139 (United States)

2010-04-15

The development and validation of a model for the study of pore-scale transport phenomena and electrochemistry in a Solid Oxide Fuel Cell (SOFC) anode are presented in this work. This model couples mass transport processes with a detailed reaction mechanism, which is used to model the electrochemical oxidation kinetics. Detailed electrochemical oxidation reaction kinetics, which is known to occur in the vicinity of the three-phase boundary (TPB) interfaces, is discretely considered in this work. The TPB regions connect percolating regions of electronic and ionic conducting phases of the anode, nickel (Ni) and yttria-stabilized zirconia (YSZ), respectively; with porous regions supporting mass transport of the fuel and product. A two-dimensional (2D), multi-species lattice Boltzmann method (LBM) is used to describe the diffusion process in complex pore structures that are representative of the SOFC anode. This diffusion model is discretely coupled to a kinetic electrochemical oxidation mechanism using localized flux boundary conditions. The details of the oxidation kinetics are prescribed as a function of applied activation overpotential and the localized hydrogen and water mole fractions. This development effort is aimed at understanding the effects of the anode microstructure within TPB regions. This work describes the methods used so that future studies can consider the details of SOFC anode microstructure. (author)

The influence of polymeric membrane gas spargers on hydrodynamics and mass transfer in bubble column bioreactors.

Science.gov (United States)

Tirunehe, Gossaye; Norddahl, B

2016-04-01

Gas sparging performances of a flat sheet and tubular polymeric membranes were investigated in 3.1 m bubble column bioreactor operated in a semi batch mode. Air-water and air-CMC (Carboxymethyl cellulose) solutions of 0.5, 0.75 and 1.0 % w/w were used as interacting gas-liquid mediums. CMC solutions were employed in the study to simulate rheological properties of bioreactor broth. Gas holdup, bubble size distribution, interfacial area and gas-liquid mass transfer were studied in the homogeneous bubbly flow hydrodynamic regime with superficial gas velocity (U(G)) range of 0.0004-0.0025 m/s. The study indicated that the tubular membrane sparger produced the highest gas holdup and densely populated fine bubbles with narrow size distribution. An increase in liquid viscosity promoted a shift in bubble size distribution to large stable bubbles and smaller specific interfacial area. The tubular membrane sparger achieved greater interfacial area and an enhanced overall mass transfer coefficient (K(L)a) by a factor of 1.2-1.9 compared to the flat sheet membrane.

Organic photovoltaic device with interfacial layer and method of fabricating same

Science.gov (United States)

Marks, Tobin J.; Hains, Alexander W.

2013-03-19

An organic photovoltaic device and method of forming same. In one embodiment, the organic photovoltaic device has an anode, a cathode, an active layer disposed between the anode and the cathode; and an interfacial layer disposed between the anode and the active layer, the interfacial layer comprising 5,5'-bis[(p-trichlorosilylpropylphenyl)phenylamino]-2,2'-bithiophene (PABTSi.sub.2).

Rate and mechanism of facilitated americium(III) transport through a supported liquid membrane containing a bifunctional organophosphorus mobile carrier

International Nuclear Information System (INIS)

Danesi, P.R.; Horwitz, E.P.; Rickert, P.G.

1983-01-01

The facilitated transport of Am(III) from aqueous nitrate solutions to formic acid aqueous solutions through a supported liquid membrane (SLM) is described. The supported liquid membrane consists of a solution of a new (carbamoylmethyl)phosphine oxide in diethylbenzene (DEB) absorbed into a 48 μm thick microporous polypropylene film. The transport mechanism consists of a diffusion process through an aqueous diffusion film, a fast interfacial chemical reaction, and diffusion through the membrane itself. Equations describing the rate of transport are derived. They correlate the membrane permeability coefficient to diffusional parameters and to the chemical composition of the system. Different rate-controlling processes are shown to control the membrane permeability when the composition of the system is varied and as long as the transport occurs. The experimental data are quantitatively explained with the derived equations. The diffusion coefficient of the permeating species and the equilibrium constant of the fast interfacial reactions are evaluated. 13 figures, 1 table

Measurement of Interfacial Area Production and Permeability within Porous Media

International Nuclear Information System (INIS)

Crandall, Dustin; Ahmadi, Goodarz; Smith, Duane H.

2010-01-01

An understanding of the pore-level interactions that affect multi-phase flow in porous media is important in many subsurface engineering applications, including enhanced oil recovery, remediation of dense non-aqueous liquid contaminated sites, and geologic CO 2 sequestration. Standard models of two-phase flow in porous media have been shown to have several shortcomings, which might partially be overcome using a recently developed model based on thermodynamic principles that includes interfacial area as an additional parameter. A few static experimental studies have been previously performed, which allowed the determination of static parameters of the model, but no information exists concerning the interfacial area dynamic parameters. A new experimental porous flow cell that was constructed using stereolithography for two-phase gas-liquid flow studies was used in conjunction with an in-house analysis code to provide information on dynamic evolution of both fluid phases and gas-liquid interfaces. In this paper, we give a brief introduction to the new generalized model of two-phase flow model and describe how the stereolithography flow cell experimental setup was used to obtain the dynamic parameters for the interfacial area numerical model. In particular, the methods used to determine the interfacial area permeability and production terms are shown.