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Sample records for adsorption-desorption isotherm measurements

  1. Water adsorption-desorption isotherms of two-dimensional hexagonal mesoporous silica around freezing point.

    PubMed

    Endo, Akira; Yamaura, Toshio; Yamashita, Kyohei; Matsuoka, Fumio; Hihara, Eiji; Daiguji, Hirofumi

    2012-02-01

    Zr-doped mesoporous silica with a diameter of approximately 3.8 nm was synthesized via an evaporation-induced self-assembly process, and the adsorption-desorption isotherms of water vapor were measured in the temperature range of 263-298 K. The measured adsorption-desorption isotherms below 273 K indicated that water confined in the mesopores did not freeze at any relative pressure. All isotherms had a steep curve, resulting from capillary condensation/evaporation, and a pronounced hysteresis. The hysteresis loop, which is associated with a delayed adsorption process, increased with a decrease in temperature. Furthermore, the curvature radius where capillary evaporation/condensation occurs was evaluated by the combined Kelvin and Gibbs-Tolman-Koening-Buff (GTKB) equations for the modification of the interfacial tension due to the interfacial curvature. The thickness of the water adsorption layer for capillary condensation was slightly larger, whereas that for capillary evaporation was slightly smaller than 0.7 nm.

  2. Measurements of VOC adsorption/desorption characteristics of typical interior building materials

    SciTech Connect

    An, Y.; Zhang, J.S.; Shaw, C.Y.

    2000-07-01

    The adsorption/desorption of volatile organic compounds (VOCs) on interior building material surfaces (i.e., the sink effect) can affect the VOC concentrations in a building, and thus need to be accounted for an indoor air quality (IAQ) prediction model. In this study, the VOC adsorption/desorption characteristics (sink effect) were measured for four typical interior building materials including carpet, vinyl floor tile, painted drywall, and ceiling tile. The VOCs tested were ethylbenzene, cyclohexanone, 1,4-dichlorobenzene, benzaldehyde, and dodecane. These five VOCs were selected because they are representative of hydrocarbons, aromatics, ketones, aldehydes, and chlorine substituted compounds. The first order reversible adsorption/desorption model was based on the Langmuir isotherm was used to analyze the data and to determine the equilibrium constant of each VOC-material combination. It was found that the adsorption/desorption equilibrium constant, which is a measure of the sink capacity, increased linearly with the inverse of the VOC vapor pressure. For each compound, the adsorption/desorption equilibrium constant, and the adsorption rate constant differed significantly among the four materials tested. A detailed characterization of the material structure in the micro-scale would improve the understanding and modeling of the sink effect in the future. The results of this study can be used to estimate the impact of sink effect on the VOC concentrations in buildings.

  3. Characterization of CaF2 surfaces using Adsorption-Desorption Isotherms and Atomic Force Microscopy

    NASA Astrophysics Data System (ADS)

    Wadleigh, L. R.; Luhman, D. R.; Bumcrot, P. G.

    2012-02-01

    We are interested in using rough CaF2 films to study the superfluid transition in two-dimensional helium systems. These experiments require quantitative information regarding the topography of the CaF2 surfaces. The surface roughness of CaF2 films is known to increase with film thickness as has been shown with previous atomic force microscopy (AFM) measurements [1]. We have fabricated a series of CaF2 samples of different film thicknesses and thus different surface roughnesses. These surfaces were studied using AFM and adsorption-desorption isotherm measurements with liquid nitrogen at T=77 K. The isotherm measurements allow us to determine the pore size distribution of each CaF2 film thickness. We find the emergence of hysteretic capillary condensation due to deep pores in the CaF2 as the film thickness increases. The development of these deep pores is also seen in our AFM measurements. Our combined results provide a detailed description of CaF2 surface roughness which can be utilized in the planned superfluid experiment. [1] D.R. Luhman and R.B. Hallock, Phys Rev. E 70, 051606 (2004).

  4. Laser temperature jump relaxation measurements of adsorption/desorption kinetics at liquid/solid interfaces

    SciTech Connect

    Waite, S.W.; Harris, J.M.; Holzwarth, J.F.

    1995-04-15

    The iodine laser temperature jump method is used to study adsorption/desorption kinetics at a methylated silica/solution interface. A suspension of C1-derivatized fumed silica is used for the kinetic measurements. The colloidal silica does not significantly change the attenuation of near-IR radiation from the iodine laser and allows the surface site concentration to be varied so that adsorption and desorption rates can be determined. The temperature jump relaxation method was used to investigate the effect of electrolyte on adsorption of a charged solute (ANS) on a C1 silica surface. Adsorption equilibrium conditions were optimized to observe a maximum relaxation signal. Without electrolyte, the relaxation signal is biexponential, which is also reflected in a broad chromatographic peak shape and a two-site sorption isotherm. When electrolyte is added, the relaxation signal is primarily single exponential, which agrees with the linear adsorption isotherm. The adsorption rate and equilibrium constant were found to increase significantly with added electrolyte, which showed that adsorption kinetics can influence both band broadening and retention. 28 refs., 7 figs., 4 tab.

  5. Effect of humic acid on the adsorption/desorption behavior of glyphosate on goethite. Isotherms and kinetics.

    PubMed

    Arroyave, Jeison Manuel; Waiman, Carolina C; Zanini, Graciela P; Avena, Marcelo J

    2016-02-01

    The effects of humic acid (HA) on the adsorption/desorption of glyphosate (Gly) on goethite were investigated under pseudo equilibrium conditions by adsorption isotherms and under kinetic conditions by ATR-FTIR spectroscopy. Isotherms reveal that the attachment of Gly is almost completely inhibited by HA molecules. The opposite effect is not observed: HA adsorption is not affected by the presence of Gly. ATR-FTIR allowed the simultaneous detection of adsorbed HA and Gly during kinetic runs, revealing that HA at the surface decreases markedly the adsorption rate of Gly likely as a result of a decreased availability of sites for Gly adsorption and because of electrostatic repulsion. In addition, HA in solution increases the desorption rate of Gly. The rate law for Gly desorption could be determined giving important insights on the desorption mechanism. The herbicide is desorbed by two parallel processes: i) a direct detachment from the surface, which is first order in adsorbed Gly; and ii) a ligand exchange with HA molecules, which is first order in adsorbed Gly and first order in dissolved HA. Rate constants for both processes were quantified, leading to half-lives of 3.7 h for the first process, and 1.4 h for the second process in a 400 mg L(-1) HA solution. These data are important for modeling the dynamics of glyphosate in environmentally relevant systems, such as soils and surface waters.

  6. Kinetics of degradation and adsorption-desorption isotherms of thiobencarb and oxadiargyl in calcareous paddy fields.

    PubMed

    Mahmoudi, Mojtaba; Rahnemaie, Rasoul; Es-haghi, Ali; Malakouti, Mohammad J

    2013-05-01

    Herbicides are an important source of contamination in paddy fields. Monitoring their fate and chemical interactions is therefore imperative for sustaining the environment and human health. To meet this purpose, field experiments were conducted to investigate kinetics of thiobencarb and oxadiargyl dissipation in soil and water of two paddy fields. Their adsorption and desorption isotherms were also determined in the soil samples. Variation in concentration was monitored for 60d in soil solution phase and for 315d in soil solid phase. In soil solution, concentrations of both herbicides were rapidly reduced within 5d and reached steady state within 20-30d. Analysis of experimental data resolved a half-life ≈2-4d for both herbicides. In soil solid phase, adsorption reaction played a dominant role in the first 10d. Afterwards, degradation reactions regulated the process. Variation in concentration was minimized after about 150d for thiobencarb and 80d for oxadiargyl. The half-lives were calculated ≈50d for thiobencarb and ≈20d for oxadiargyl, indicating that association with soil particles protect them effectively against degradation reactions. Adsorption isotherms confirmed that both herbicides were strongly adsorbed on soil particles. Furthermore, desorption data indicated that after four successive desorption steps, less than 9% thiobencarb and 1% oxadiargyl were released. This denotes that electrolyte ions in solution cannot adequately compete with and replace adsorbed thiobencarb and oxadiargyl molecules. This would lead to a considerable hysteresis between adsorption and desorption isotherms as was observed experimentally. Overall, it was concluded that both herbicides are among non-persistent and immobile herbicides in the paddy soils.

  7. Visualization and Measurement of Adsorption/Desorption Process of Ethanol in Activated Carbon Adsorber

    NASA Astrophysics Data System (ADS)

    Asano, Hitoshi; Murata, Kenta; Takenaka, Nobuyuki; Saito, Yasushi

    Adsorption refrigerator is one of the efficient tools for waste heat recovery, because the system is driven by heat at relative low temperature. However, the coefficient of performance is low due to its batch operation and the heat capacity of the adsorber. In order to improve the performance, it is important to optimize the configuration to minimize the amount of driving heat, and to clarify adsorption/desorption phenomena in transient conditions. Neutron radiography was applied to visualize and measure the adsorption amount distribution in an adsorber. The visualization experiments had been performed at the neutron radiography facility of E-2 port of Kyoto University Research Reactor. Activated carbon and ethanol were used as the adsorbent and refrigerant. From the acquired radiographs, adsorption amount was quantitatively measured by applying the umbra method using a checkered neutron absorber with boron powder. Then, transient adsorption and desorption processes of a rectangular adsorber with 84 mm in width, 50 mm in height and 20 mm in depth were visualized. As the result, the effect of fins in the adsorbent layer on the adsorption amount distribution was clearly visualized.

  8. Simultaneous Online Measurement of H2O and CO2 in the Humid CO2 Adsorption/Desorption Process.

    PubMed

    Yu, Qingni; Ye, Sha; Zhu, Jingke; Lei, Lecheng; Yang, Bin

    2015-01-01

    A dew point meter (DP) and an infrared (IR) CO2 analyzer were assembled in a humid CO2 adsorption/desorption system in series for simultaneous online measurements of H2O and CO2, respectively. The humidifier, by using surface-flushing on a saturated brine solution was self-made for the generation of humid air flow. It was found that by this method it became relatively easy to obtain a low H2O content in air flow and that its fluctuation could be reduced compared to the bubbling method. Water calibration for the DP-IR detector is necessary to be conducted for minimizing the measurement error of H2O. It demonstrated that the relative error (RA) for simultaneous online measurements H2O and CO2 in the desorption process is lower than 0.1%. The high RA in the adsorption of H2O is attributed to H2O adsorption on the transfer pipe and amplification of the measurement error. The high accuracy of simultaneous online measurements of H2O and CO2 is promising for investigating their co-adsorption/desorption behaviors, especially for direct CO2 capture from ambient air.

  9. Adsorption/Desorption Measurements of Nitroglycerin and Dinitrotoluene in Camp Edwards, Massachusetts Soil

    DTIC Science & Technology

    2010-02-01

    100 and 800 g/L. 3.2.3 Ion Chromatography Anion concentrations, principally chloride, were measured on a Dionex ICS-3000 ion chromatograph using... chromatography ................................................................................................19 3.2.3 Ion chromatography ...17 3.2.1 High performance liquid chromatography ...............................................................17 3.2.2 Gas

  10. Wide-range and accurate modeling of linear alkylbenzene sulfonate (LAS) adsorption/desorption on agricultural soil.

    PubMed

    Oliver-Rodríguez, B; Zafra-Gómez, A; Reis, M S; Duarte, B P M; Verge, C; de Ferrer, J A; Pérez-Pascual, M; Vílchez, J L

    2015-11-01

    In this paper, rigorous data and adequate models about linear alkylbenzene sulfonate (LAS) adsorption/desorption on agricultural soil are presented, contributing with a substantial improvement over available adsorption works. The kinetics of the adsorption/desorption phenomenon and the adsorption/desorption equilibrium isotherms were determined through batch studies for total LAS amount and also for each homologue series: C10, C11, C12 and C13. The proposed multiple pseudo-first order kinetic model provides the best fit to the kinetic data, indicating the presence of two adsorption/desorption processes in the general phenomenon. Equilibrium adsorption and desorption data have been properly fitted by a model consisting of a Langmuir plus quadratic term, which provides a good integrated description of the experimental data over a wide range of concentrations. At low concentrations, the Langmuir term explains the adsorption of LAS on soil sites which are highly selective of the n-alkyl groups and cover a very small fraction of the soil surface area, whereas the quadratic term describes adsorption on the much larger part of the soil surface and on LAS retained at moderate to high concentrations. Since adsorption/desorption phenomenon plays a major role in the LAS behavior in soils, relevant conclusions can be drawn from the obtained results.

  11. Sorption isotherm measurements by NMR.

    PubMed

    Leisen, Johannes; Beckham, Haskell W; Benham, Michael

    2002-01-01

    An experimental setup is described for the automated recording of sorption isotherms by NMR experiments at precisely defined levels of relative humidity (RH). Implementation is demonstrated for a cotton fabric; Bloch decays. T1 and T2* relaxation times were measured at predefined steps of increasing and decreasing relative humidities (RHs) so that a complete isotherm of NMR properties was obtained. Bloch decays were analyzed by fitting to relaxation functions consisting or a slow- and a fast-relaxing component. The fraction of slow-relaxing component was greater than the fraction of sorbed moisture determined from gravimetric sorption data. The excess slow-relaxing component was attributed to plasticized segments of the formerly rigid cellulose matrix. T1 and T2* sorption isotherms exhibit hysteresis similar to gravimetric sorption isotherms. However, correlating RH to moisture content (MC) reveals that both relaxation constants depend only on MC, and not on the history of moisture exposure.

  12. Adsorption-desorption of 2,4,6-trinitrotoluene and hexahydro-1,3,5-trinitro-1,3,5-triazine in soils

    SciTech Connect

    Xue, S.K.; Selim, H.M.; Iskandar, I.K.

    1995-11-01

    This study studied the adsorption-desorption behavior of TNT (2, 4, 6-trinitrotoluene) and RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine) in a bentonite/sand reference material (Swy-1 montmorillonite clay mixed with acid-washed sand) and two selected soils (Norwood and Kolin). Release of TNT,RDX, and other compounds from a contaminated soil obtained from the Louisiana Army Ammunition Plant (AAP) site was also investigated. The kinetics of TNT and RDX retention were measured using batch methods for a range of input concentrations. For RDX, the adsorption isotherms were distinctly linear. The TNT adsorption isotherm for bentonite/sand mixture appeared linear and was described equally well using linear, Freundlich, Langmuir, and a modified Langmuir model. For the Norwood and Kolin soils, TNT adsorption isotherms exhibited distinct nonlinearity and the Freundlich model provided the best fit. As indicated by the K{sub d} values, TNT exhibited stronger retention or affinity to all soils and the bentonite/sand mixture than for RDX. The RDX retention data indicated little time-dependent behavior. The TNT retention data indicated a continued decrease in TNT concentration with time in the Norwood and Kolin soils. This was possibly caused by the formation and subsequent adsorption of transformation products because transformation products, such as amino nitro toluene compounds, were identified during batch experiments. For the bentonite/sand mixture, TNT retention was rapid initially and reached apparent equilibrium within 1 day. Unlike Kolin and Norwood soils, there was no hysteretic behavior of TNT adsorption-desorption by the bentonite/sand mixture and a mass balance suggested fully reversible retention mechanisms. 15 refs., 13 figs., 2 tabs.

  13. Studies on adsorption-desorption of xenon on surface of BC-404 plastic scintillator based on soaking method

    NASA Astrophysics Data System (ADS)

    Yongchun, Xiang; Tieshuan, Fan; Chuanfei, Zhang; Fei, Luo; Qian, Wang; Rende, Ze; Qingpei, Xiang

    2017-03-01

    The phoswich coincidence detector is used to verify the CTBT treaty by measuring radioxenon and as such needs to possess high detection sensitivity. However, residual xenon adsorbed onto the surface of β detectors greatly influences subsequent measurements of weak samples. In this study, we investigate the adsorption-desorption behavior of xenon on BC-404 scintillator surfaces with different coating thicknesses using the soaking method. The results present the desorption behavior of xenon on a BC-404 surface for the first time. The calculated adsorption capacity for an uncoated surface is consistent with that from previous studies. However, due to factors such as limitations in coating technology, the effectiveness of coating on reducing the "memory effect" of the detector was poor. The proposed method is suitable for studying the adsorption-desorption behavior of gases on solid surfaces due to its simplicity and flexibility.

  14. Laboratory measurement of sorption in porous media

    SciTech Connect

    Harr, M.S.; Pettit, P.; Ramey, J.J., Jr.

    1992-01-01

    A new apparatus for measuring steam adsorption-desorption isothermally on rock samples has been installed and initial runs made for rock samples from geothermal reservoirs. The amounts adsorbed measured in these experiments are the same order of magnitude as previous experiments.

  15. Adsorption-desorption of metolachlor and atrazine in Indian soils: effect of fly ash amendment.

    PubMed

    Ghosh, Rakesh K; Singh, Neera

    2013-02-01

    The effect of two fly ashes as soil amendment on the adsorption-desorption of metolachlor [2-chloro-N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylphenyl)] and atrazine (2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine) was studied in alluvial and laterite soils. The adsorption data for both the herbicides fitted well the Freundlich equation, and Freundlich adsorption coefficient (K (f)) increased with an increase of fly ash amount. Both the fly ashes differed in their extent to increase herbicide sorption, and the effect was different in different soils. Atrazine was sorbed more in the soils/soils + fly ash mixtures than the metolachlor. The K (f) values showed significant correlation with the amount of fly ash amendment (correlation coefficient, R > 0.982). The desorption isotherms also fitted the Freundlich equation, and desorption showed hysteresis which increased with an increase in the content of fly ash amendment. The free energy change (ΔG) indicated that the sorption process is exothermic, spontaneous, and physical in nature. The study has shown that fly ash as soil amendment significantly increased the sorption of metolachlor and atrazine, but the effect is soil- and fly ash-specific.

  16. Biodegradation of persistent organics can overcome adsorption-desorption hysteresis in biological activated carbon systems.

    PubMed

    Abromaitis, V; Racys, V; van der Marel, P; Meulepas, R J W

    2016-04-01

    In Biological Activated Carbon (BAC) systems, persistent organic pollutants can be removed through a combination of adsorption, desorption and biodegradation. These processes might be affected by the presence of other organics, especially by the more abundant easily-biodegradable organics, like acetate. In this research these relations are quantified for the removal of the persistent pharmaceutical metoprolol. Acetate did not affect the adsorption and desorption of metoprolol, but it did greatly enhance the metoprolol biodegradation. At least part of the BAC biomass growing on acetate was also able to metabolise metoprolol, although metoprolol was only converted after the acetate was depleted. The presence of easily-degradable organics like acetate in the feeding water is therefore beneficial for the removal of metoprolol in BAC systems. The isotherms obtained from metoprolol adsorption and desorption experiments showed that BAC systems are subject to hysteresis; for AC bioregeneration to take place the microbial biomass has to reduce the concentration at the AC-biomass interface 2.7 times compared to the concentration at which the carbon was being loaded. However, given the threshold concentration of the MET degrading microorganisms (<0.08 μg/L) versus the average influent concentration (1.3 μg/L), bioregeneration is feasible.

  17. Adsorption-desorption kinetics of soft particles onto surfaces

    NASA Astrophysics Data System (ADS)

    Osberg, Brendan; Gerland, Ulrich

    A broad range of physical, chemical, and biological systems feature processes in which particles randomly adsorb on a substrate. Theoretical models usually assume ``hard'' (mutually impenetrable) particles, but in soft matter physics the adsorbing particles can be effectively compressible, implying ``soft'' interaction potentials. We recently studied the kinetics of such soft particles adsorbing onto one-dimensional substrates, identifying three novel phenomena: (i) a gradual density increase, or ''cramming'', replaces the usual jamming behavior of hard particles, (ii) a density overshoot, can occur (only for soft particles) on a time scale set by the desorption rate, and (iii) relaxation rates of soft particles increase with particle size (on a lattice), while hard particles show the opposite trend. The latter occurs since unjamming requires desorption and many-bodied reorganization to equilibrate -a process that is generally very slow. Here we extend this analysis to a two-dimensional substrate, focusing on the question of whether the adsorption-desorption kinetics of particles in two dimensions is similarly enriched by the introduction of soft interactions. Application to experiments, for example the adsorption of fibrinogen on two-dimensional surfaces, will be discussed.

  18. Adsorption-desorption of oxytetracycline on marine sediments: Kinetics and influencing factors.

    PubMed

    Li, Jia; Zhang, Hua

    2016-12-01

    To reveal the kinetics and mechanisms of antibiotic adsorption/desorption processes, batch and stirred flow chamber (SFC) experiments were carried out with oxytetracycline (OTC) on two marine sediments. The OTC adsorption capacities of the marine sediments were relatively weak and related to their organic carbon (OC) and contents of fine particles. Sorption isotherms of OTC on marine sediment can be well described by both the Langmuir and Freundlich models. Langmuir adsorption maxima (qmax) and Freundlich distribution coefficients (Kf) increased with the decrease of salinity and pH, which indicated the importance of variable charged sites on sediment surfaces. A second order kinetic model successfully described adsorption and desorption kinetics of OTC and well reproduced the concentration change during stop-flow. The adsorption kinetic rates (ka) for OTC under different experimental conditions ranged from 2.00 × 10(-4) to 1.97 × 10(-3) L (mg min)(-1). Results of SFC experiments indicated that diffusive mass transfer was the dominant mechanism of the time-dependent adsorption of OTC and its release from marine sediment was mildly hysteretic. The high desorption percentage (43-75% for LZB and 58-75% for BHB) implied that binding strength of OTC on two marine sediments was weak. In conclusion, marine sediment characteristics and environmental factors such as salinity, pH, and flow rate are critical factors determine extent of OTC sorption on marine sediment and need to be incorporated in modeling fate and transport of OTC in marine environment.

  19. Evaluation of iodide and iodate for adsorption-desorption characteristics and bioavailability in three types of soil.

    PubMed

    Hong, Chunlai; Weng, Huanxin; Jilani, Ghulam; Yan, Ailan; Liu, Huiping; Xue, Zhiyong

    2012-05-01

    Adsorption-desorption of iodine in two forms, viz., iodide (I(-)) and iodate (IO (3) (-) ), in three types of soil were investigated. The soils were: red soil developed on Quaternary red earths (REQ)- clayey, kaolintic thermic plinthite Aquult, Inceptisol soil (IS) and alluvial soil (AS)-Fluvio-marine yellow loamy soil. The isothermal curves of iodine adsorption on soils were described by Langmuir and Freundlich equation, and the maximum adsorption values (y (m)) were obtained from the simple Langmuir model. As compared with the iodide, the iodate was adsorbed in higher amounts by the soils tested. Among three soils, the REQ soil adsorbed more iodine (I(-) and IO (3) (-) ) than the IS and AS. The distribution coefficient (K (d)) of iodine in the soils decreased exponentially with increasing iodine loading concentration. Desorption of iodine in soil was increased correspondingly with increasing adsorption values. The REQ soil had a greater affinity for iodine than the IS and AS at the same iodine loadings. In the pot experiment cultivated with pakchoi (Brassica chinensis L.) and added with two exogenous iodine sources, the iodide form was quickly taken up by pakchoi and caused more toxicity to the vegetable. The rate of iodine loss from soil was higher for iodide form as compared with the iodate. The iodine bioavailability was the highest but the persistence was the weakest in AS among the three soils tested, and the REQ soil showed just the opposite trend to that of the AS soil. This study is of theoretical importance to understand the relationship between iodine adsorption-desorption characteristics and their bioavailability in different soils and it also has practical implications for seeking effective alternatives of iodine biofortification to prevent iodine deficiency disorders.

  20. A new theoretical approach to adsorption desorption behavior of Ga on GaAs surfaces

    NASA Astrophysics Data System (ADS)

    Kangawa, Y.; Ito, T.; Taguchi, A.; Shiraishi, K.; Ohachi, T.

    2001-11-01

    We propose a new theoretical approach for studying adsorption-desorption behavior of atoms on semiconductor surfaces. The new theoretical approach based on the ab initio calculations incorporates the free energy of gas phase; therefore we can calculate how adsorption and desorption depends on growth temperature and beam equivalent pressure (BEP). The versatility of the new theoretical approach was confirmed by the calculation of Ga adsorption-desorption transition temperatures and transition BEPs on the GaAs (0 0 1) -(4×2) β2 Ga-rich surface. This new approach is feasible to predict how adsorption and desorption depend on the growth conditions.

  1. Role of organic matter on boron adsorption-desorption hysteresis of soils

    Technology Transfer Automated Retrieval System (TEKTRAN)

    In this study we evaluated the boron (B) adsorption/desorption reaction in six soils and examined the extent to which organic matter content, as well as incubation time affected B release. Six soils varying in initial pH, clay content, and were selected for the study. Adsorption experiments were c...

  2. ADSORPTION, DESORPTION AND OXIDATION OF ARSENIC AFFECTED BY CLAY MINERALS AND AGING PROCESS

    EPA Science Inventory

    Adsorption/desorption and oxidation/reduction of arsenic at clay surfaces are very important to the natural attenuation of arsenic in the subsurface environment. Although numerous studies have concluded that iron oxides have high affinities for the adsorption of As(V), very litt...

  3. A critical review on analysis in pretreatment of lignocelluloses: Degree of polymerization, adsorption/desorption, and accessibility.

    PubMed

    Karimi, Keikhosro; Taherzadeh, Mohammad J

    2016-03-01

    The pretreatment of lignocelluloses results in changes in the different properties of these materials. In a recent review (Karimi and Taherzadeh, 2016), the details of compositional, imaging, and crystallinity analyses of lignocelluloses were reviewed and critically discussed. Changes in the cellulose degree of polymerization, accessibility, and enzyme adsorption/desorption by pretreatments are also among the effective parameters. This paper deals with the measurement techniques, modifications, and relation to bioconversions, as well as the challenges of these three properties. These analyses are very helpful to investigate the pretreatment processes; however, the pretreatments are very complicated and challenging processes. It is not easily possible to study the effects of only one of these parameters and even to find which one is the dominant one. Moreover, it is not possible to accurately predict the changes in the bioconversion yield using these methods.

  4. Irreversible adsorption/desorption of PAHs in sediment/water

    SciTech Connect

    Fu, G.; Kan, A.T.; Tomson, M.B.

    1996-10-01

    Successive adsorption isotherm of phenanthrene on soil corresponds to a constant partition of phenanthrene between the bulk solution and solid phase. This shows that the hydrophobic reaction is a dominant mechanism in adsorption process. However, desorption of PAHs appears irreversibility. Cyclic and multiple adsorption and desorption experiments indicated that there is an irreversibly adsorbed intrinsic capacity in the interaction of PAHs (naphthalene and phenanthrene) and soil in aqueous solution. This irreversible fraction for PAHs (naphthalene and phenanthrene) is about 1000-5000 {mu}g/g normalized on the basis of soil organic carbon. The desorption of PAHs from soil appears biphasic when the total adsorbed capacity is greater than the intrinsic irreversibly adsorbed value. In phase, the partitioning coefficient of desorption of PAHs is similar to that of adsorption. However, the other mechanism may be responsible to control the release of PAHs in phase 2.

  5. Adsorption, Desorption, and Displacement Kinetics of H2O and CO2 on TiO2(110)

    SciTech Connect

    Smith, R. Scott; Li, Zhenjun; Chen, Long; Dohnalek, Zdenek; Kay, Bruce D.

    2014-07-17

    The adsorption, desorption, and displacement kinetics of H2O and CO2 on TiO2(110) are investigated using temperature programmed desorption (TPD) and molecular beam techniques. The TPD spectra for both H2O and CO2 have well-resolved peaks corresponding to desorption from bridge-bonded oxygen (BBO), Ti, and oxygen vacancies (VO) sites in order of increasing peak temperature. Analysis of the saturated monolayer peak for both species reveals that the corresponding adsorption energies on all sites are greater for H2O and for CO2. Sequential dosing of H2O and CO2 reveals that, independent of the dose order, H2O molecules will displace CO2 in order to occupy the highest energy binding sites available. Isothermal experiments show that the displacement of CO2 by H2O occurs between 75 and 80 K. Further analysis shows that a ratio of 4 H2O to 3 CO2 molecules is needed to displace CO2 from the TiO2(110) surface.

  6. Impact of coexistence of carbendazim, atrazine, and imidacloprid on their adsorption, desorption, and mobility in soil.

    PubMed

    Jin, Xiangxiang; Ren, Jingbei; Wang, Baichuan; Lu, Qiang; Yu, Yunlong

    2013-09-01

    The effect of coexisting pesticide on adsorption/desorption and mobility of another one was investigated with carbendazim (CBD), imidacloprid (IDP), and atrazine (ATR). The data indicated that adsorption of CBD, ATR, and IDP on the tested soil was fitted well by Freundlich equation and increased with an order of IDP < ATR ≪ CBD. Adsorption of a pesticide was decreased by the coexistence of another one through their competitive adsorption. The presence of coexisting solute of the more adsorbability played a more important role than that of the lesser adsorbability. The adsorption of IDP and ATR was easier to be affected by 28.9-52.0 % and 31.1-60.7 % with the addition of CBD, while that of CBD was much less influenced by 3.4-18.1 % and 6.9-31.8 % with the presence of ATR and IDP, respectively. An adsorbability-related enhancement in desorption of the three pesticides by the co-adsorbed solute was also observed. As a result of competitive adsorption/desorption, the mobility of the pesticides estimated from soil thin-layer chromatography was altered. The results clearly illustrated that adsorbability and concentration-related alteration in adsorption/desorption and mobility will be caused by the coexistence of pesticides.

  7. Characterization of polysulfone and polysulfone/vanillin microcapsules by 1H NMR spectroscopy, solid-state 13C CP/MAS-NMR spectroscopy, and N2 adsorption-desorption analyses.

    PubMed

    Peña, Brisa; de Ménorval, Louis-Charles; Garcia-Valls, Ricard; Gumí, Tània

    2011-11-01

    Textile detergent and softener industries have incorporated perfume microencapsulation technology to improve their products. Perfume encapsulation allows perfume protection until use and provides a long-lasting fragrance release. But, certain industrial microcapsules show low encapsulation capacity and low material stability. Polysulfone capsules have been already proposed to solve these drawbacks. Among them, PSf/Vanillin capsules were considered as a desirable system. They present both good material stability and high encapsulation capacity. However, several factors such as the final location of the perfume in the polymeric matrix, the aggregation state that it has in the capsule and its interaction with the capsule components have not been studied yet. These factors can provide vast information about the capsule performance and its improvement. With the aim to characterize these parameters, the physical and chemical properties of PSf/Vanillin capsules have been investigated by nuclear magnetic resonance (NMR) spectroscopy, scanning electron microscopy (SEM), atomic force microscopy (AFM), and N(2) adsorption-desorption measurements. AFM micrograph and N(2) isotherms confirm that the presence of vanillin modify the physical structure of PSf/Vanillin microcapsules as it is trapped in the capsule porosity. NMR results show that vanillin is present in solid state in PSf/Vanillin microcapsules.

  8. Single-crystal and humidity-controlled powder diffraction study of the breathing effect in a metal-organic framework upon water adsorption/desorption.

    PubMed

    Aríñez-Soriano, Javier; Albalad, Jorge; Vila-Parrondo, Christian; Pérez-Carvajal, Javier; Rodríguez-Hermida, Sabina; Cabeza, Aurelio; Juanhuix, Jordi; Imaz, Inhar; Maspoch, Daniel

    2016-05-26

    Herein we report a study on water adsorption/desorption-triggered single-crystal to single-crystal transformations in a MOF, by single-crystal and humidity-controlled powder X-ray diffraction and water-sorption measurements. We identified a gate-opening effect at a relative humidity of 85% upon water adsorption, and a gate-closure effect at a relative humidity of 55 to 77% upon water desorption. This reversible breathing effect between the "open" and the "closed" structures of the MOF involves the cleavage and formation of several coordination bonds.

  9. Water adsorption, desorption, and clustering on FeO(111).

    PubMed

    Daschbach, John L; Dohnalek, Z; Liu, Shu-Rong; Smith, R Scott; Kay, Bruce D

    2005-05-26

    The adsorption of water on FeO(111) is investigated using temperature programmed desorption (TPD) and infrared reflection absorption spectroscopy (IRAS). Well-ordered 2 ML thick FeO(111) films are grown epitaxially on a Pt(111) substrate. Water adsorbs molecularly on FeO(111) and desorbs with a well resolved monolayer peak. IRAS measurements as a function of coverage are performed for water deposited at 30 and 135 K. For all coverages (0.2 ML and greater), the adsorbed water exhibits significant hydrogen bonding. Differences in IRAS spectra for water adsorbed at 30 and 135 K are subtle but suggest that water adsorbed at 135 K is well ordered. Monolayer nitrogen TPD spectra from water covered FeO(111) surfaces are used to investigate the clustering of the water as a function of deposition or annealing temperature. Temperature dependent water overlayer structures result from differences in water diffusion rates on bare FeO(111) and on water adsorbed on FeO(111). Features in the nitrogen TPD spectra allow the monolayer wetting and 2-dimensional (2D) ordering of water on FeO(111) to be followed. Voids in a partially disordered first water layer exist for water deposited below 120 K and ordered 2D islands are found when depositing water above 120 K.

  10. Apparatus to Measure Adiabatic and Isothermal Processes.

    ERIC Educational Resources Information Center

    Lamb, D. W.; White, G. M.

    1996-01-01

    Describes a simple manual apparatus designed to serve as an effective demonstration of the differences between isothermal and adiabatic processes for the general or elementary physics student. Enables students to verify Boyle's law for slow processes and identify the departure from this law for rapid processes and can also be used to give a clear…

  11. Isothermal drop calorimeter provides measurements for alpha active, pyrophoric materials

    NASA Technical Reports Server (NTRS)

    Savage, H.

    1969-01-01

    Isothermal drop calorimeter measures the heat content of intensely alpha active and pyrophoric materials in inert atmospheres. It consists of a furnace, calorimeter, and aluminum isothermal jacket contained within an inert-atmosphere glove box, which permits the use of unencapsulated materials without exposing personnel to alpha contamination.

  12. Adsorption/desorption properties of vacuum materials for the 6 GeV synchrotron

    SciTech Connect

    Krauss, A.R.

    1985-01-01

    Considerable attention must be paid to the vacuum and adsorption/desorption properties of all materials installed inside the vacuum envelope if the design goals of the 6 GeV synchrotron are to be met. Unfortunately, the data is very sparse in several key areas. Additionally, some procedures normally associated with good vacuum practice, such as air baking, may prove to be totally unsuitable on the basis of desorption properties. We present here a brief discussion of the adsorption, outgassing, electron-stimulated desorption (ESD), and photon-stimulated desorption (PSD) properties of vacuum materials as they relate to the design of a 6 GeV synchrotron.

  13. CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Monomer Adsorption-Desorption Processes

    NASA Astrophysics Data System (ADS)

    Ke, Jian-Hong; Lin, Zhen-Quan; Chen, Xiao-Shuang

    2009-05-01

    We propose an adsorption-desorption model for a deposit growth system, in which the adsorption and desorption of particles coexist. By means of the generalized rate equation we investigate the cluster (island) size distribution in the dynamic equilibrium state. The results show that the evolution behaviour of the system depends crucially on the details of the rate kernels. The cluster size distribution can take the scale-free power-law form in some cases, while it grows exponentially with size in other cases.

  14. Arsenic(V) adsorption-desorption in agricultural and mine soils: Effects of organic matter addition and phosphate competition.

    PubMed

    Arco-Lázaro, Elena; Agudo, Inés; Clemente, Rafael; Bernal, M Pilar

    2016-09-01

    High total and bioavailable concentrations of As in soils represent a potential risk for groundwater contamination and entry in the food chain. The use of organic amendments in the remediation of As-contaminated soils has been found to produce distinct effects on the solubility of As in the soil. Therefore, knowledge about As adsorption-desorption processes that govern its solubility in soil is of relevance in order to predict the behaviour of this element during these processes. In this paper, the objective was to determine As adsorption and desorption in four different soils, with and without compost addition, and also in competition with phosphate, through the determination of sorption isotherms. Batch experiments were carried out using three soils affected differently by previous mining activity of the Sierra Minera of La Unión-Cartagena (SE Spain) and an agricultural soil from Segovia province (central Spain). Adsorption was higher in the mining soils (and highest in the acidic one) than in the agricultural soils, although the latter were not affected negatively by organic matter or phosphate competition for sorption sites. The results show that As adsorption in most soils, both with and without compost, fitted better a multimolecular layer model (Freundlich), whereas As adsorption in competition with P fitted a monolayer model (Langmuir). Moreover, the use of compost and phosphate reduced the adsorption of As in the mining soils, while in the agricultural soils compost increased their low adsorption capacity. Therefore, the use of compost can be a good option to favour As immobilisation in soils of low adsorption, but knowledge of the soil composition will be crucial to predict the effects of organic amendments on As solubility in soils and its associated environmental risk.

  15. Molecular mechanism of adsorption/desorption hysteresis: dynamics of shale gas in nanopores

    NASA Astrophysics Data System (ADS)

    Chen, Jie; Wang, FengChao; Liu, He; Wu, HengAn

    2017-01-01

    Understanding the adsorption and desorption behavior of methane has received considerable attention since it is one of the crucial aspects of the exploitation of shale gas. Unexpectedly, obvious hysteresis is observed from the ideally reversible physical sorption of methane in some experiments. However, the underlying mechanism still remains an open problem. In this study, Monte Carlo (MC) and molecular dynamics (MD) simulations are carried out to explore the molecular mechanisms of adsorption/desorption hysteresis. First, a detailed analysis about the capillary condensation of methane in micropores is presented. The influence of pore width, surface strength, and temperature on the hysteresis loop is further investigated. It is found that a disappearance of hysteresis occurs above a temperature threshold. Combined with the phase diagram of methane, we explicitly point out that capillary condensation is inapplicable for the hysteresis of shale gas under normal temperature conditions. Second, a new mechanism, variation of pore throat size, is proposed and studied. For methane to pass through the throat, a certain energy is required due to the repulsive interaction. The required energy increases with shrinkage of the throat, such that the originally adsorbed methane cannot escape through the narrowed throat. These trapped methane molecules account for the hysteresis. Furthermore, the hysteresis loop is found to increase with the increasing pressure and decreasing temperature. We suggest that the variation of pore throat size can explain the adsorption/desorption hysteresis of shale gas. Our conclusions and findings are of great significance for guiding the efficient exploitation of shale gas.

  16. Non-Debye relaxation in the dielectric response of nematic liquid crystals: surface and memory effects in the adsorption-desorption process of ionic impurities.

    PubMed

    de Paula, J L; Santoro, P A; Zola, R S; Lenzi, E K; Evangelista, L R; Ciuchi, F; Mazzulla, A; Scaramuzza, N

    2012-11-01

    We demonstrate theoretically that the presence of ions in insulating materials such as nematic liquid crystals may be responsible for the dielectric spectroscopy behavior observed experimentally. It is shown that, at low frequencies, an essentially non-Debye relaxation process takes place due to surface effects. This is accomplished by investigating the effects of the adsorption-desorption process on the electrical response of an electrolytic cell when the generation and recombination of ions is present. The adsorption-desorption is governed by a non-usual kinetic equation in order to incorporate memory effects related to a non-Debye relaxation and the roughness of the surface. The analysis is carried out by searching for solutions to the drift-diffusion equation that satisfy the Poisson equation relating the effective electric field to the net charge density. We also discuss the effect of the mobility of the ions, i.e., situations with equal and different diffusion coefficients for positive and negative ions, on the impedance and obtain an exact expression for the admittance. The model is compared with experimental results measured for the impedance of a nematic liquid crystal sample and a very good agreement is obtained.

  17. Non-Debye relaxation in the dielectric response of nematic liquid crystals: Surface and memory effects in the adsorption-desorption process of ionic impurities

    NASA Astrophysics Data System (ADS)

    de Paula, J. L.; Santoro, P. A.; Zola, R. S.; Lenzi, E. K.; Evangelista, L. R.; Ciuchi, F.; Mazzulla, A.; Scaramuzza, N.

    2012-11-01

    We demonstrate theoretically that the presence of ions in insulating materials such as nematic liquid crystals may be responsible for the dielectric spectroscopy behavior observed experimentally. It is shown that, at low frequencies, an essentially non-Debye relaxation process takes place due to surface effects. This is accomplished by investigating the effects of the adsorption-desorption process on the electrical response of an electrolytic cell when the generation and recombination of ions is present. The adsorption-desorption is governed by a non-usual kinetic equation in order to incorporate memory effects related to a non-Debye relaxation and the roughness of the surface. The analysis is carried out by searching for solutions to the drift-diffusion equation that satisfy the Poisson equation relating the effective electric field to the net charge density. We also discuss the effect of the mobility of the ions, i.e., situations with equal and different diffusion coefficients for positive and negative ions, on the impedance and obtain an exact expression for the admittance. The model is compared with experimental results measured for the impedance of a nematic liquid crystal sample and a very good agreement is obtained.

  18. Finite-Temperature Hydrogen Adsorption/Desorption Thermodynamics Driven by Soft Vibration Modes

    SciTech Connect

    Woo, Sung-Jae; Lee, Eui-Sup; Yoon, Mina; Yong-Hyun, Kim

    2013-01-01

    It is widely accepted that room-temperature hydrogen storage on nanostructured or porous materials requires enhanced dihydrogen adsorption. In this work we reveal that room-temperature hydrogen storage is possible not only by the enhanced adsorption, but also by making use of the vibrational free energy from soft vibration modes. These modes exist for example in the case of metallo-porphyrin-incorporated graphenes (M-PIGs) with out-of-plane ( buckled ) metal centers. There, the in-plane potential surfaces are flat because of multiple-orbital-coupling between hydrogen molecules and the buckled-metal centers. This study investigates the finite-temperature adsorption/desorption thermodynamics of hydrogen molecules adsorbed on M-PIGs by employing first-principles total energy and vibrational spectrum calculations. Our results suggest that the current design strategy for room-temperature hydrogen storage materials should be modified by explicitly taking finite-temperature vibration thermodynamics into account.

  19. Soil pollution by petroleum products, II. Adsorption-desorption of ``kerosene'' vapors on soils

    NASA Astrophysics Data System (ADS)

    Yaron, B.; Sutherland, P.; Galin, T.; Acher, A. J.

    1989-09-01

    Adsorption and desorption of vapor hydrocarbons from a synthetic "kerosene" source on different soils was studied. The "kerosene" used consisted of a mixture containing 20% aromatic components (m-xylene, n-butylbenzene, ps-cumene) and 80% aliphatic components (n-decane, n-dodecane). Three different types of soils were used: Mediterranean red sandy clays, arid brown loessial silty loam and Evesham clay. The most influential parameter in the adsorption-desorption processes was the moisture content, which was examined over a range from oven dry to -1 bar water pressure (70% field capacity). The highest adsorption values were on the arid brown loessial silty loam soil, having the following order of adsorption: n-decane > m-xylene > ps-cumene > n-butylbenzene > n-dodecane. From the "kerosene" components the fastest desorption rate was exhibited by m-xylene and the slowest by n-dodecane, in all the soil studied.

  20. Improved adsorption-desorption extraction applied to the partial characterization of the antilisterial bacteriocin produced by Carnobacterium maltaromaticum C2.

    PubMed

    Tulini, F L; De Martinis, E C P

    2010-04-01

    Bacteriocins are ribosomally produced peptides useful for food biopreservation. An improved adsorption-desorption process is proposed for the partial purification of the bacteriocin produced by the fish isolate Carnobacterium maltaromaticum C2. Analyzis of extract by SDS-PAGE indicated this method may offer an alternative to improve the yield of purification of bacteriocins.

  1. Adsorption-desorption characteristics of mercury in paddy soils of China.

    PubMed

    Jing, Y D; He, Z L; Yang, X E

    2008-01-01

    Mercury (Hg) has received considerable attention because of its association with various human health problems. Adsorption-desorption behavior of Hg at contaminated levels in two paddy soils was investigated. The two representative soils for rice production in China, locally referred to as a yellowish red soil (YRS) and silty loam soil (SLS) and classified as Gleyi-Stagnic Anthrosols in FAO/UNESCO nomenclature, were respectively collected from Jiaxin County and Xiasha District of Hangzhou City, Zhejiang Province. The YRS adsorbed more Hg(2+) than the SLS. The characteristics of Hg adsorption could be described by the simple Langmuir adsorption equation (r2 = 0.999 and 0.999, P < 0.01, respectively, for the SLS and YRS). The maximum adsorption values (Xm) that were obtained from the simple Langmuir model were 111 and 213 mg Hg(2+) kg(-1) soil, respectively, for the SLS and YRS. Adsorption of Hg(2+) decreased soil pH by 0.75 unit for the SLS soil and 0.91 unit for the YRS soil at the highest loading. The distribution coefficient (kd) of Hg in the soil decreased exponentially with increasing Hg(2+) loading. After five successive desorptions with 0.01 mol L(-1) KCl solution (pH 5.4), 0 to 24.4% of the total adsorbed Hg(2+) in the SLS soil was desorbed and the corresponding value of the YRS soil was 0 to 14.4%, indicating that the SLS soil had a lower affinity for Hg(2+) than the YRS soil at the same Hg(2+) loading. Different mechanisms are likely involved in Hg(2+) adsorption-desorption at different levels of Hg(2+) loading and between the two soils.

  2. Evaluation of theoretical and empirical water vapor sorption isotherm models for soils

    NASA Astrophysics Data System (ADS)

    Arthur, Emmanuel; Tuller, Markus; Moldrup, Per; de Jonge, Lis W.

    2016-01-01

    The mathematical characterization of water vapor sorption isotherms of soils is crucial for modeling processes such as volatilization of pesticides and diffusive and convective water vapor transport. Although numerous physically based and empirical models were previously proposed to describe sorption isotherms of building materials, food, and other industrial products, knowledge about the applicability of these functions for soils is noticeably lacking. We present an evaluation of nine models for characterizing adsorption/desorption isotherms for a water activity range from 0.03 to 0.93 based on measured data of 207 soils with widely varying textures, organic carbon contents, and clay mineralogy. In addition, the potential applicability of the models for prediction of sorption isotherms from known clay content was investigated. While in general, all investigated models described measured adsorption and desorption isotherms reasonably well, distinct differences were observed between physical and empirical models and due to the different degrees of freedom of the model equations. There were also considerable differences in model performance for adsorption and desorption data. While regression analysis relating model parameters and clay content and subsequent model application for prediction of measured isotherms showed promise for the majority of investigated soils, for soils with distinct kaolinitic and smectitic clay mineralogy predicted isotherms did not closely match the measurements.

  3. Adsorption/desorption phenomena on pure and Teflon AF-coated titania surfaces studied by dynamic contact angle analysis.

    PubMed

    Rupp, F; Axmann, D; Ziegler, C; Geis-Gerstorfer, J

    2002-12-15

    As a result of inflammatory processes, plaque formation on dental titanium implants often leads to clinically pathogenic situations. This special biofilm formation on (bio)materials in contact with saliva is initiated by ionic and protein interactions. In this interfacial process, albumin becomes a main constituent of dental pellicle. Interfacial reactions change the surface characteristics. They determine the following steps of macromolecular adsorption and bacterial adhesion. This work focuses on the dynamic contact angle analysis (DCA), which is a tool for online measurements of dynamic changes of wettability without disturbing the interface during detection. Repeatability of the DCA method has been assessed according to the Bland and Altman method. The kinetics and equilibrium data of shifts in the wetting tension hysteresis indicate ionic influences at the titanium/bovine serum albumin (BSA) interface: the Ca-mediated increase of the BSA adsorption on titanium and the adsorption maximum at the isoelectric point (IEP) of BSA. Ti was surface modified by Teflon AF polymeric coatings. The result of the assessment gives reason to consider Teflon AF as a reference material for DCA repeatability studies. This surface modification caused drastic changes in the dynamic interfacial reactions. Shifts in the wetting tensions during DCA adsorption-desorption experiments clearly demonstrated the partially irreversible adsorption of BSA on Teflon AF. In contrast, reversible adsorption behavior was detected on pure Ti surfaces. These findings strengthen the hypothesis that the analysis of dynamic changes in wetting tension and wetting tension hysteresis is a sensitive analytical method for the detection of dynamic interfacial changes at biomaterial/biosystem interfaces during the initial steps of biofilm formation.

  4. The importance of environmental factors and matrices in the adsorption, desorption, and toxicity of butyltins: a review.

    PubMed

    Fang, Liping; Xu, Cuihong; Li, Ji; Borggaard, Ole K; Wang, Dongsheng

    2017-04-01

    Butyltins (BTs) are considered as a group of the most important organometallic compounds in industry and agriculture. Due to their widespread use, large amounts of BTs including tributyltin (TBT), dibutyltin (DBT), and monobutyltin (MBT) have entered into the environment, and subsequently causing detrimental effects on humans and aquatic organisms. This work provides a critical review of recent studies on the adsorption, desorption, bioaccumulation, and toxicity of BTs that can notably influence the distribution of BTs in the environment. Influence of environmental factors (e.g., pH and salinity) and adsorbents in the matrices (e.g., minerals, organic carbons, and quartz) on the adsorption, desorption, and toxicity of BTs is particularly addressed.

  5. Analytic theory of the adsorption-desorption transition of Gaussian polymers interacting with a periodic lattice of adsorbing centers.

    PubMed

    Chervanyov, A I; Heinrich, G

    2008-08-21

    Based on the obtained exact analytic solution, we calculate the adsorption-desorption diagram that describes the adsorption of Gaussian polymers onto a rigid surface that bears a periodic array of the adsorbing centers. It is shown that the polymer adsorption onto this substrate is fully governed by a delicate balance between the entropic depletion repulsion of polymers from the rigid surface and their attraction to the adsorbing centers. Magnitudes of these competitive effects are calculated in terms of the reduced overall affinity of the substrate eta(-1) and the reduced separation between the adsorbing centers d. The calculated exact adsorption-desorption diagram eta(d) that describes the equilibrium between the above depletion and adsorption interactions, is shown to obey the scaling law eta approximately d(-1.17).

  6. Adsorption-desorption characteristics of phenol and reactive dyes from aqueous solution on mesoporous activated carbon prepared from waste tires.

    PubMed

    Tanthapanichakoon, W; Ariyadejwanich, P; Japthong, P; Nakagawa, K; Mukai, S R; Tamon, H

    2005-04-01

    Liquid-phase adsorption-desorption characteristics and ethanol regeneration efficiency of an activated carbon prepared from waste tires and a commercial activated carbon were investigated. Water vapor adsorption experiments reveal that both activated carbons showed hydrophobic surface characteristics. Adsorption experiments reveal that the prepared activated carbon possessed comparable phenol adsorption capacity as the commercial one but clearly larger adsorption capacity of two reactive dyes, Black 5 and Red 31. It was ascertained that the prepared activated carbon exhibited less irreversible adsorption of phenol and the two dyes than its commercial counterpart. Moreover, ethanol regeneration efficiency of the prepared AC saturated with either dye was higher than that of the commercial AC. Because of its superior liquid-phase adsorption-desorption characteristics as well as higher ethanol regeneration efficiency, the prepared activated carbon is more suitable for wastewater treatment, especially for adsorbing similarly bulky adsorbates.

  7. Cesium adsorption/desorption behavior of clay minerals considering actual contamination conditions in Fukushima

    PubMed Central

    Mukai, Hiroki; Hirose, Atsushi; Motai, Satoko; Kikuchi, Ryosuke; Tanoi, Keitaro; Nakanishi, Tomoko M.; Yaita, Tsuyoshi; Kogure, Toshihiro

    2016-01-01

    Cesium adsorption/desorption experiments for various clay minerals, considering actual contamination conditions in Fukushima, were conducted using the 137Cs radioisotope and an autoradiography using imaging plates (IPs). A 50 μl solution containing 0.185 ~ 1.85 Bq of 137Cs (10−11 ~ 10−9 molL−1 of 137Cs) was dropped onto a substrate where various mineral particles were arranged. It was found that partially-vermiculitized biotite, which is termed “weathered biotite” (WB) in this study, from Fukushima sorbed 137Cs far more than the other clay minerals (fresh biotite, illite, smectite, kaolinite, halloysite, allophane, imogolite) on the same substrate. When WB was absent on the substrate, the amount of 137Cs sorbed to the other clay minerals was considerably increased, implying that selective sorption to WB caused depletion of radiocesium in the solution and less sorption to the coexisting minerals. Cs-sorption to WB continued for about one day, whereas that to ferruginous smectite was completed within one hour. The sorbed 137Cs in WB was hardly leached with hydrochloric acid at pH 1, particularly in samples with a longer sorption time. The presence/absence of WB sorbing radiocesium is a key factor affecting the dynamics and fate of radiocesium in Fukushima. PMID:26868138

  8. Adsorption/desorption of linear alkylbenzenesulfonate (LAS) and azoproteins by/from activated sludge flocs.

    PubMed

    Conrad, A; Cadoret, A; Corteel, P; Leroy, P; Block, J-C

    2006-01-01

    Our study investigated the adsorption/desorption by/from activated sludge flocs, dispersed in river water or in diluted wastewater, of organic compounds (C(11)-LAS, azoalbumin and azocasein) at concentrations relevant to environmental conditions. Activated sludge flocs, used as a model of biological aggregates, are characterized by a very heterogeneous matrix able to sorb the three organic compounds tested at 4 degrees C. The adsorbed amount of C(11)-LAS by activated sludge flocs was higher than that of azocasein or azoalbumin, as shown by the Freundlich parameters (K(ads)=8.6+/-1.7, 1.6+/-0.3 and 0.3+/-0.1 micromol(1-1/n)g(-1)l(1/n) for C(11)-LAS, azocasein and azoalbumin, respectively; n=3 sludges). C(11)-LAS sorption from activated sludge appeared to be partially reversible in river water, while a marked hysteresis phenomenon was observed for azocasein and azoalbumin, implying a low degree of reversibility in their exchange between activated sludge and river water. It has also been displayed that the conductivity variation of bulk water (comprised between 214 and 838 microS cm(-1)) exerted no dramatic effect on the C(11)-LAS desorption from activated sludge flocs, while a little effect of it on azocasein desorption was observed. Thus, biological aggregates as activated sludge flocs can serve as an intermediate carrier for C(11)-LAS, while it represents a sink for proteins.

  9. Predicting sulphate adsorption/desorption in forest soils: evaluation of an extended Freundlich equation.

    PubMed

    Gustafsson, Jon Petter; Akram, Muhammad; Tiberg, Charlotta

    2015-01-01

    Sulphate adsorption and desorption can delay the response in soil acidity against changes in acid input. Here we evaluate the use of an extended Freundlich equation for predictions of pH-dependent SO4 adsorption and desorption in low-ionic strength soil systems. Five B horizons from Spodosols were subjected to batch equilibrations at low ionic strength at different pHs and dissolved SO4 concentrations. The proton coadsorption stoichiometry (η), i.e. the number of H(+) ions co-adsorbed for every adsorbed SO4(2)(-) ion, was close to 2 in four of five soils. This enabled the use of a Freundlich equation that involved only two adjustable parameters (the Freundlich coefficient KF and the non-ideality parameter m). With this model a satisfactory fit was obtained when only two data points were used for calibration. The root-mean square errors of log adsorbed SO4 ranged from 0.006 to 0.052. The model improves the possibility to consider SO4 adsorption/desorption processes correctly in dynamic soil chemistry models.

  10. Cesium adsorption/desorption behavior of clay minerals considering actual contamination conditions in Fukushima

    NASA Astrophysics Data System (ADS)

    Mukai, Hiroki; Hirose, Atsushi; Motai, Satoko; Kikuchi, Ryosuke; Tanoi, Keitaro; Nakanishi, Tomoko M.; Yaita, Tsuyoshi; Kogure, Toshihiro

    2016-02-01

    Cesium adsorption/desorption experiments for various clay minerals, considering actual contamination conditions in Fukushima, were conducted using the 137Cs radioisotope and an autoradiography using imaging plates (IPs). A 50 μl solution containing 0.185 ~ 1.85 Bq of 137Cs (10-11 ~ 10-9 molL-1 of 137Cs) was dropped onto a substrate where various mineral particles were arranged. It was found that partially-vermiculitized biotite, which is termed “weathered biotite” (WB) in this study, from Fukushima sorbed 137Cs far more than the other clay minerals (fresh biotite, illite, smectite, kaolinite, halloysite, allophane, imogolite) on the same substrate. When WB was absent on the substrate, the amount of 137Cs sorbed to the other clay minerals was considerably increased, implying that selective sorption to WB caused depletion of radiocesium in the solution and less sorption to the coexisting minerals. Cs-sorption to WB continued for about one day, whereas that to ferruginous smectite was completed within one hour. The sorbed 137Cs in WB was hardly leached with hydrochloric acid at pH 1, particularly in samples with a longer sorption time. The presence/absence of WB sorbing radiocesium is a key factor affecting the dynamics and fate of radiocesium in Fukushima.

  11. Adsorption, desorption, and removal of polymeric nanomedicine on and from cellulose surfaces: effect of size.

    PubMed

    Zhang, Ming; Akbulut, Mustafa

    2011-10-18

    The increased production and commercial use of nanoparticulate drug delivery systems combined with a lack of regulation to govern their disposal may result in their introduction to soils and ultimately into groundwater systems. To better understand how such particles interact with environmentally significant interfaces, we study the adsorption, desorption, and removal behavior of poly(ethylene glycol)-based nanoparticulate drug delivery systems on and from cellulose, which is the most common organic compound on Earth. It is shown that such an adsorption process is only partially reversible, and most of the adsorbate particles do not desorb from the cellulose surface even upon rinsing with a large amount of water. The rate constant of adsorption decreases with increasing particle size. Furthermore, hydrodynamic forces acting parallel to the surfaces are found to be of great importance in the context of particle dynamics near the cellulose surface, and ultimately responsible for the removal of some fraction of particles via rolling or sliding. As the particle size increases, the removal rates of the particles increase for a given hydrodynamical condition.

  12. Adsorption-desorption noise in plasmonic chemical/biological sensors in multiple analyte environment

    NASA Astrophysics Data System (ADS)

    Jakšić, Olga; Jakšić, Zoran; Matović, Jovan

    2009-05-01

    We analyzed the intrinsic noise of plasmonic sensors caused by the adsorption-desorption of gaseous analytes on the sensor surface. We analyzed a general situation when there is a larger number of different species in the environment. We developed our model and applied it to calculate various analyte mixtures, including some environmental pollutants, toxic and dangerous substances. The spectral density of mean square refractive index fluctuations follows a dependence similar to that of generation-recombination noise in photodetectors, flat at lower frequencies and sharply decreasing at higher. Some of the calculated noise levels are well within the detection range of conventional surface plasmon resonance sensors. One of the obvious conclusions is that AD noise may be an important limiting factor in monitoring process kinetics by nanoplasmonic sensors. An AD noise peak is observed in temperature dependence of mean square refractive index fluctuations, thus sensor operating temperature may be optimized to obtain larger signal to noise ratio. A significant property of AD noise is its increase with the plasmon sensor area decrease, which means that it will be even more pronounced in modern nanoplasmonic devices. Our consideration is valid both for conventional surface plasmon resonance devices and for general nanoplasmonic devices. This research could be of importance in diverse areas such as environmental sensing, homeland security, forensic applications, life sciences, etc.

  13. Restricted access: on the nature of adsorption/desorption hysteresis in amorphous, microporous polymeric materials.

    PubMed

    Jeromenok, Jekaterina; Weber, Jens

    2013-10-22

    The phenomenon of low-pressure adsorption/desorption hysteresis, which is commonly observed in microporous polymers, is investigated by detailed gas adsorption studies. Diffusional limitations by pore blocking effects, which arise as a consequence of the micropore morphology and connectivity, are discussed as the origin of the hysteresis rather than swelling effects, which have been suggested previously. Micropores with narrow openings, which cannot be filled easily, are expected to be present next to open pores. Those pores are termed restricted-access pores and are only filled in the course of the adsorption process as a consequence of the increasing solvation pressure exhibited from already filled micropores. As a consequence of the results presented here, it is suggested to use the desorption branch in addition to the adsorption branch for the extraction of the porosity characteristics, such as specific surface area, pore volume, and pore size distribution. The magnitude of the low-pressure hysteresis might hence give an idea of the micropore connectivity, which is important information for potential applications.

  14. Purification of olive mill wastewater phenols through membrane filtration and resin adsorption/desorption.

    PubMed

    Zagklis, Dimitris P; Vavouraki, Aikaterini I; Kornaros, Michael E; Paraskeva, Christakis A

    2015-03-21

    Olive tree cultivation has a long history in the Mediterranean countries, and even today consists an important cultural, economic, and environmental aspect of the area. The production of olive oil through 3-phase extraction systems, leads to the co-production of large quantities of olive mill wastewater (OMW), with toxic compounds that inhibit its biodegradation. Membrane filtration has been used for the exploitation of this byproduct, through the isolation of valuable phenolic compounds. In the current work, a fraction of the waste occurring from a membrane process was used. More specifically the reverse osmosis concentrate, after a nanofiltration, containing the low-molecular-weight compounds, was further treated with resin adsorption/desorption. The non ionic XAD4, XAD16, and XAD7HP resins were implemented, for the recovery of phenols and their separation from carbohydrates. The recovered phenolic compounds were concentrated through vacuum evaporation reaching a final concentration of 378 g/L in gallic acid equivalents containing 84.8 g/L hydroxytyrosol.

  15. Effect of biochar amendment on tylosin adsorption-desorption and transport in two different soils.

    PubMed

    Jeong, Chang Yoon; Wang, Jim J; Dodla, Syam K; Eberhardt, Thomas L; Groom, Les

    2012-01-01

    The role of biochar as a soil amendment on the adsorption-desorption and transport of tylosin, a macrolide class of veterinary antibiotic, is little known. In this study, batch and column experiments were conducted to investigate the adsorption kinetics and transport of tylosin in forest and agricultural corn field soils amended with hardwood and softwood biochars. Tylosin adsorption was rapid at initial stages, followed by slow and continued adsorption. Amounts of adsorption increased as the biochar amendment rate increased from 1 to 10%. For soils with the hardwood biochar, tylosin adsorption was 10 to 18% higher than that when using the softwood biochar. Adsorption kinetics was well described by Elovich equation ( ≥ 0.921). As the percent of biochar was increased, the rates of initial reactions were generally increased, as indicated by increasing α value at low initial tylosin concentration, whereas the rates during extended reaction times were generally increased, as indicated by decreasing β value at high initial tylosin concentration. A considerably higher amount of tylosin remained after desorption in the corn field soil than in the forest soil regardless of the rate of biochar amendment, which was attributed to the high pH and silt content of the former. The breakthrough curves of tylosin showed that the two soils with biochar amendment had much greater retardation than those of soils without biochar. The CXTFIT model for the miscible displacement column study described well the peak arrival time as well as the maximum concentration of tylosin breakthrough curves but showed some underestimation at advanced stages of tylosin leaching, especially in the corn field soil. Overall, the results indicate that biochar amendments enhance the retention and reduce the transport of tylosin in soils.

  16. Surface modifications of one-dimensional nanostructures and their effect on adsorption/desorption properties (chemical sensors)

    NASA Astrophysics Data System (ADS)

    Desai, Sharvil

    2009-12-01

    The work presented in this dissertation presents in-situ transport property measurements on a randomly oriented network of surface modified SWNT bundles and surface modified individually grown SWNTs on Si/SiO 2 substrates for their interaction with various gases/chemicals. As a preliminary study, results are presented on kinetics of oxygen adsorption/desorption on the bundles of nanotubes. From these results it is seen that oxygen desorption rates of surface modified SWNT bundles are higher than those of the pristine nanotubes. This work was extended to study the transport properties of surface-modified networks of individual SWNTs grown on Si/SiO2 surfaces for their interaction with hypergolic fuel elements. The results provided a model for sensing on the basis of electrochemical charge transfer from the redox couple on to the SWNTs. In order to improve the selectivity of the device, an array of multiplexed module for the sensor study was developed. This sensor module consisted of three devices, (a) pristine nanotube device, (b) plasma treated nanotube device, and (c) metal decorated nanotube device. This study investigated the effect on sensitivity and other parameters of the sensor by modifying SWNT surfaces with metal cluster decoration and plasma treatments. Any interaction of chemicals with its surfaces can influence drastic change of electronic and thermal properties of SWNT films. Advantages of multiplexing of a sensor array to collect significant evidence about a particular gas were demonstrated. In this dissertation, a successful prototyping of the sensor by retrofitting with a commercial sensor was also demonstrated. Thermoelectric voltage monitoring as the sensor signal instead of resistance or the conductivity monitoring is preferred. It can provide important information of the intrinsic properties instead of the contact related properties which cannot be controlled or reproduced reliably. It also possesses the essential properties of conductivity as

  17. Laser velocimetry measurements in non-isothermal CVD systems

    NASA Technical Reports Server (NTRS)

    Johnson, E. J.; Hyer, P. V.; Culotta, P. W.; Clark, I. O.

    1991-01-01

    Researchers at the NASA Langley Research Center are applying laser velocimetry (LV) techniques to characterize the fluid dynamics of non-isothermal flows inside fused silica chambers designed for chemical vapor deposition (CVD). Experimental issues involved in the application of LV techniques to this task include thermophoretic effects on the LV seed particles, seeding the hazardous gases, index of refraction gradients in the flow field and surrounding media, optical access, relatively low flow velocities, and analysis and presentation of sparse data. An overview of the practical difficulties these issues represent to the use of laser velocimetry instrumentation for CVD applications is given. A fundamental limitation on the application of LV techniques in non-isothermal systems is addressed which involves a measurement bias due to the presence of thermal gradients. This bias results from thermophoretic effects which cause seed particle trajectories to deviate from gas streamlines. Data from a research CVD reactor are presented which indicate that current models for the interaction of forces such as Stokes drag, inertia, gravity, and thermophoresis are not adequate to predict thermophoretic effects on particle-based velocimetry measurements in arbitrary flow configurations.

  18. The adsorption-desorption transition of double-stranded DNA interacting with an oppositely charged dendrimer induced by multivalent anions.

    PubMed

    Jiang, Yangwei; Zhang, Dong; Zhang, Yaoyang; Deng, Zhenyu; Zhang, Linxi

    2014-05-28

    The adsorption-desorption transition of DNA in DNA-dendrimer solutions is observed when high-valence anions, such as hexavalent anions, are added to the DNA-dendrimer solutions. In the DNA-dendrimer solutions with low-valence anions, dendrimers bind tightly with the V-shaped double-stranded DNA. When high-valence anions, such as pentavalent or hexavalent anions, are added to the DNA-dendrimer solutions, the double-stranded DNA chains can be stretched straightly and the dendrimers are released from the double-stranded DNA chains. In fact, adding high-valence anions to the solutions can change the charge spatial distribution in the DNA-dendrimer solutions, and weaken the electrostatic interactions between the positively charged dendrimers and the oppositely charged DNA chains. Adsorption-desorption transition of DNA is induced by the overcharging of dendrimers. This investigation is capable of helping us understand how to control effectively the release of DNA in gene/drug delivery because an effective gene delivery for dendrimers includes non-covalent DNA-dendrimer binding and the effective release of DNA in gene therapy.

  19. The adsorption-desorption transition of double-stranded DNA interacting with an oppositely charged dendrimer induced by multivalent anions

    NASA Astrophysics Data System (ADS)

    Jiang, Yangwei; Zhang, Dong; Zhang, Yaoyang; Deng, Zhenyu; Zhang, Linxi

    2014-05-01

    The adsorption-desorption transition of DNA in DNA-dendrimer solutions is observed when high-valence anions, such as hexavalent anions, are added to the DNA-dendrimer solutions. In the DNA-dendrimer solutions with low-valence anions, dendrimers bind tightly with the V-shaped double-stranded DNA. When high-valence anions, such as pentavalent or hexavalent anions, are added to the DNA-dendrimer solutions, the double-stranded DNA chains can be stretched straightly and the dendrimers are released from the double-stranded DNA chains. In fact, adding high-valence anions to the solutions can change the charge spatial distribution in the DNA-dendrimer solutions, and weaken the electrostatic interactions between the positively charged dendrimers and the oppositely charged DNA chains. Adsorption-desorption transition of DNA is induced by the overcharging of dendrimers. This investigation is capable of helping us understand how to control effectively the release of DNA in gene/drug delivery because an effective gene delivery for dendrimers includes non-covalent DNA-dendrimer binding and the effective release of DNA in gene therapy.

  20. Kinetic isotope effect for H2 and D2 quantum molecular sieving in adsorption/desorption on porous carbon materials.

    PubMed

    Zhao, Xuebo; Villar-Rodil, Silvia; Fletcher, Ashleigh J; Thomas, K Mark

    2006-05-25

    Adsorption and desorption of H(2) and D(2) from porous carbon materials, such as activated carbon at 77 K, are usually fully reversible with very rapid adsorption/desorption kinetics. The adsorption and desorption of H(2) and D(2) at 77 K on a carbon molecular sieve (Takeda 3A), where the kinetic selectivity was incorporated by carbon deposition, and a carbon, where the pore structure was modified by thermal annealing to give similar pore structure characteristics to the carbon molecular sieve substrate, were studied. The D(2) adsorption and desorption kinetics were significantly faster (up to x1.9) than the corresponding H(2) kinetics for specific pressure increments/decrements. This represents the first experimental observation of kinetic isotope quantum molecular sieving in porous materials due to the larger zero-point energy for the lighter H(2), resulting in slower adsorption/desorption kinetics compared with the heavier D(2). The results are discussed in terms of the adsorption mechanism.

  1. Potential-dependent adsorption/desorption behavior of perfluorosulfonated ionomer on a gold electrode surface studied by cyclic voltammetry, electrochemical quartz microbalance, and electrochemical atomic force microscopy.

    PubMed

    Masuda, Takuya; Ikeda, Kota; Uosaki, Kohei

    2013-02-19

    Potential-dependent adsorption/desorption behavior of perfluorosulfonated ionomer (PFSI) on a gold electrode was investigated by cyclic voltammetry (CV), electrochemical quartz crystal microbalance (EQCM), and electrochemical atomic force microscopy (EC-AFM) in a Nafion (i.e., PFSI) dispersed aqueous solution without any other electrolyte. It was found that PFSI serves as an electrolyte and that electrochemical measurements can be performed in this solution without any significant IR drop. PFSI molecules were adsorbed on the Au surface in the lying-down configuration in the potential range between 0 and 0.45 V, the amount of adsorbed PFSI increased when the potential was made more positive than 0.75 V, and the adsorbed PFSI fully desorbed from the surface at potentials more positive than 1.4 V where gold oxide was formed. Once the gold oxide had been reduced, PFSI readsorbed on the surface, albeit slowly. PFSI desorbed from the surface as the potential was made more negative than 0 V. These processes took place reversibly.

  2. The effects of mariculture activities on the adsorption/desorption and chemical fractionations of mercury on sediments.

    PubMed

    Liang, Peng; Wu, Sheng-Chun; Li, Yi-Chun; Li, Hong-Bo; Yu, Guang-bin; Yu, Shen; Wong, Ming H

    2012-04-01

    The aims of the present study were to investigate the effects of mariculture activities on inorganic mercury (Hg(2+)) adsorption/desorption on sediments and the distributions of newly adsorbed Hg(2+) on different chemical fractionations. The adsorption amount and binding energy of Hg(2+) on mariculture sediment (MS) were significantly higher (p<0.05) than reference sediment (RS). This may be explained by the strong complexation role that exists between Hg(2+) and organic matter (OM), which derived from unconsumed fish feed and fish metabolites. The reducible Hg(2+) in MS was significantly lower (p<0.01) than RS, which may have been caused by the decreasing amount of iron and manganese hydroxide in MS, lead to the decrease of Hg(2+) bound to them. On the contrary, the residual Hg(2+) was significantly higher (p<0.01) in MS than RS, which suggests that newly adsorbed Hg(2+) was more stable in MS than RS.

  3. Comparison of batch, stirred flow chamber, and column experiments to study adsorption, desorption and transport of carbofuran within two acidic soils.

    PubMed

    Bermúdez-Couso, Alipio; Fernández-Calviño, David; Rodríguez-Salgado, Isabel; Nóvoa-Muñoz, Juan Carlos; Arias-Estévez, Manuel

    2012-06-01

    Different methods (batch, column and stirred flow chamber experiments) used for adsorption and desorption of carbofuran studies were compared. All tested methods showed that the carbofuran adsorption was higher in the soil with the higher organic matter content, whereas the opposite behaviour was observed for the percentage of carbofuran desorbed. However, different methods have revealed some discrepancies in carbofuran adsorption/desorption kinetics. Although batch method showed interesting data on equilibrium experiments, such as a low heterogeneity for the carbofuran adsorption sites independent of soil organic matter content, it had some disadvantages for carbofuran adsorption/desorption kinetic studies. The disadvantages were related with the excessive limitations of this method on kinetics, i.e., no difference could be detected between different soils. However, with column and stirred flow chamber methods the carbofuran adsorption/desorption kinetics of different soils could be compared. Moreover, the absolute values of carbofuran adsorption/desorption and its rate were higher in the stirred flow chamber than in the batch and column experiments. Using stirred flow chamber experiments the carbofuran desorption was significantly faster than its adsorption, whereas carbofuran using column experiments they were similar. These discrepancies should be considered when the results obtained only with one method is discussed.

  4. Measuring the Kinetics of Molecular Association by Isothermal Titration Calorimetry.

    PubMed

    Vander Meulen, Kirk A; Horowitz, Scott; Trievel, Raymond C; Butcher, Samuel E

    2016-01-01

    The real-time power response inherent in an isothermal titration calorimetry (ITC) experiment provides an opportunity to directly analyze association kinetics, which, together with the conventional measurement of thermodynamic quantities, can provide an incredibly rich description of molecular binding in a single experiment. Here, we detail our application of this method, in which interactions occurring with relaxation times ranging from slightly below the instrument response time constant (12.5 s in this case) to as large as 600 s can be fully detailed in terms of both the thermodynamics and kinetics. In a binding titration scenario, in the most general case an injection can reveal an association rate constant (kon). Under more restrictive conditions, the instrument time constant-corrected power decay following each injection is simply an exponential decay described by a composite rate constant (kobs), from which both kon and the dissociation rate constant (koff) can be extracted. The data also support the viability of this exponential approach, for kon only, for a slightly larger set of conditions. Using a bimolecular RNA folding model and a protein-ligand interaction, we demonstrate and have internally validated this approach to experiment design, data processing, and error analysis. An updated guide to thermodynamic and kinetic regimes accessible by ITC is provided.

  5. The effect of chars and their water extractable organic carbon (WEOC) fractions on atrazine adsorption-desorption processes

    NASA Astrophysics Data System (ADS)

    Cavoski, I.; Jablonowski, N.; Burauel, P.; Miano, T.

    2012-04-01

    Chars are carbonaceous material produced from different type of biomass by pyrolysis. They are known as highly effective adsorbents for atrazine therefore limiting its degradation and its diffusion into the aqueous phase. The aim of the present work is to study the effects of different chars and char's derived WEOC on atrazine sorption-desorption processes. The five chars been used in this study derived from: 1) fast pyrolysis from hard wood (FP1); 2) flash pyrolysis from soft wood (FP2); 3) slow pyrolysis from deciduous wood (CC); 4) gasification from deciduous wood (GC) and 5) the market, purchased as activated charcoal standard (AC). Short-term batch equilibration tests were conducted to assess the sorption-desorption behavior of 14C-labeled atrazine on the chars, with a special focus on the desorption behavior using successive dilution method with six consecutive desorption step. Chars and their WEOC were physically and chemically characterized. Results demonstrate that biomass and pyrolysis process used to produce chars affect their physical and chemical properties, and atrazine adsorption-desorption behavior. Atrazine desorption resulted from the positive and competitive interactions between WEOC and chars surfaces. WEOC pool play important role in atrazine adsorption-desorption behavior. FP1 and FP2 with higher concentration of WEOC showed higher desorption rates, whereas GC, CC and AC with insignificant WEOC concentration strongly adsorb atrazine with low desorption rates. According to our results, when high WEOC pools chars are concerned, an increase in atrazine desorption can be observed but further studies would help in confirming the present results.

  6. Monte-Carlo multiscale simulation study of argon adsorption/desorption hysteresis in mesoporous heterogeneous tubular pores like MCM-41 or oxidized porous silicon.

    PubMed

    Puibasset, Joël

    2009-01-20

    In a recent paper [J. Chem. Phys. 2007, 127, 154701] a multiscale approach was introduced which allowed calculation of adsorption/desorption hysteresis for fluid confined in a single mesoporous, heterogeneous tubular pore. The main interest in using such an approach is that it allows one to reconcile a molecular simulation approach generally limited to the nanometer scale (atomistic description of the confined fluid and pore roughness) with the much larger scale (micrometer) relevant to understand the complexity of adsorption/desorption hysteresis (the numerous metastable states in the hysteresis loop are a consequence of the large-scale disorder in the porous material). In this paper, this multiscale approach is used to study adsorption phenomena in mesoporous models made of a collection of disordered, noninterconnected tubular pores, as MCM-41 or porous silicon. A double distribution is introduced: one to characterize the disorder in a given pore, and the other to characterize the disorder between the pores. We consider two distribution shapes: Gaussian and uniform truncated and two cases of pores open at one or both ends. These models are expected to cover a wide variety of real materials made of independent pores, as MCM-41 and oxidized porous silicon. A large variety of hysteresis shapes is obtained, ranging from almost parallel adsorption/desorption branches typical of MCM-41 adsorption to triangular hysteresis typical of porous silicon. The structure of the metastable states inside the hysteresis (scanning adsorption/desorption curves) is also examined. The results are expected to be useful to experimentalists who want to infer pore structure and level of disorder from experimental adsorption/desorption experiments.

  7. Diffusion barriers in the kinetics of water vapor adsorption/desorption on activated carbons

    SciTech Connect

    Harding, A.W.; Foley, N.J.; Thomas, K.M.; Norman, P.R.; Francis, D.C.

    1998-07-07

    The adsorption of water vapor on a highly microporous coconut-shell-derived carbon and a mesoporous wood-derived carbon was studied. These carbons were chosen as they had markedly different porous structures. The adsorption and desorption characteristics of water vapor on the activated carbons were investigated over the relative pressure range p/p{degree} = 0--0.9 for temperatures in the range 285--313 K in a static water vapor system. The adsorption isotherms were analyzed using the Dubinin-Serpinski equation, and this provided an assessment of the polarity of the carbons. The kinetics of water vapor adsorption and desorption were studied with different amounts of preadsorbed water for set changes in pressure relative to the saturated vapor pressure (p/p{degree}). The adsorption kinetics for each relative pressure step were compared and used to calculate the activation energies for the vapor pressure increments. The kinetic results are discussed in relation to their relative position on the equilibrium isotherm and the adsorption mechanism of water vapor on activated carbons.

  8. A GCMC simulation and experimental study of krypton adsorption/desorption hysteresis on a graphite surface.

    PubMed

    Prasetyo, Luisa; Horikawa, Toshihide; Phadungbut, Poomiwat; Johnathan Tan, Shiliang; Do, D D; Nicholson, D

    2016-09-15

    Adsorption isotherms and isosteric heats of krypton on a highly graphitized carbon black, Carbopack F, have been studied with a combination of Monte Carlo simulation and high-resolution experiments at 77K and 87K. Our investigation sheds light on the microscopic origin of the experimentally observed, horizontal hysteresis loop in the first layer, and the vertical hysteresis-loop in the second layer, and is found to be in agreement with our recent Monte Carlo simulation study (Diao et al., 2015). From detailed analysis of the adsorption isotherm, the latter is attributed to the compression of an imperfect solid-like state in the first layer, to form a hexagonally packed, solid-like state, immediately following the first order condensation of the second layer. To ensure that capillary condensation in the confined spaces between microcrystallites of Carbopack F does not interfere with these hysteresis loops, we carried out simulations of krypton adsorption in the confined space of a wedge-shaped pore that mimics the interstices between particles. These simulations show that, up to the third layer, any such interference is negligible.

  9. Adsorption-desorption properties and characterization of crosslinked Konjac glucomannan-graft-polyacrylamide-co-sodium xanthate.

    PubMed

    Wang, Lu-Feng; Duan, Jia-Cai; Miao, Wen-Hua; Zhang, Ruo-Jie; Pan, Si-Yi; Xu, Xiao-Yun

    2011-02-28

    A new flocculant, based on Konjac-graft-poly (acrylamide)-co-sodium xanthate (CKAX), was synthesized in aqueous solution using epichlorohydrin (ECH) as the cross-linker and ceric ammonium nitrate (CAN) as the initiator. X-ray diffraction indicated the existence of strong interaction between KGM and reactant, including intermolecular and intramolecular hydrogen bonds. Microscopy images exhibited the appropriate pore size and distribution, which might be related to a higher capacity of flocculation and adsorption. Thermo gravimetric analysis showed that the synthetic polymer could improve the thermo-stability of the natural polysaccharides, and there was a positive correlation between polymer residual weight and flocculation. The adsorption and desorption properties for copper ions indicated that the adsorption rate could be described by a pseudo-second-order rate model, and the Freundlich model provides the best fit for the resulting adsorption isotherm. The flocculant can be regenerated in HNO(3) solution.

  10. Isothermal heat measurements of TBP-nitric acid solutions

    SciTech Connect

    Smith, J.R.; Cavin, W.S.

    1994-12-16

    Net heats of reaction were measured in an isothermal calorimeter for both single phase (organic) and two phase (organic and aqueous) TBP/HNO{sub 3} reacting solutions at temperatures above 100 C. The oxidation rate constant was determined to be 5.4E-4 min{sup {minus}1} at 110 C for an open ``vented`` system as compared to 1.33 E-3 min{sup {minus}1} in the closed system. The heat released per unit material oxidized was also reduced. The oxidation in both phases was found to be first order in nitric acid and pseudo-zero order in butylnitrate and water. The hydrolysis (esterification) rate constant determined by Nichols` (1.33E-3 min{sup {minus}1}) fit the experimental data from this work well. Forced evaporation of the volatile components by the product gases from oxidation resulted in a cooling mechanism which more than balanced the heat from the oxidation reaction in the two-phased systems. Rate expressions were derived and rate constants determined for both the single and two phase systems. An approximating mathematical model was developed to fit the experimental data and to extrapolate beyond the experimental conditions. This model shows that one foot of ``reacting`` 14.3M HNO{sub 3} aqueous phase solution at 121 C will transport sufficient water to the organic phase to replace evaporative losses, maintaining endothermicity, for organic layers up to 12.2 + 6.0 feet deep. If the pressure in a reacting system is allowed to increase due to insufficient venting the temperature of the organic phase would increase in temperature to reach a new equilibrium. The rate of oxidation would increase not only due to the increase in temperature but also from the increased concentration of dissolved HNO{sub 3} reduction products. Another important factor is that the cooling system described in this work becomes less effective as the total pressure increases. These factors probably contributed to the explosion at Tomsk.

  11. [Adsorption-desorption Characteristics of Fermented Rice Husk for Ferrous and Sulfur Ions].

    PubMed

    Xie, Xiao-mei; Liao, Min; Hua, Jia-yuan; Chen, Na; Zhang, Nan; Xu, Pei-zhi; Xie Kai-zhi; XU, Chang-xu; Liu, Guang-rong

    2015-10-01

    To understand the potential of rice husk to fix Fe2+ and S2- ions, the sorption of Fe2+ and S2- by fermented rice husk was studied by using batch incubation experiments in the present study. The effects of adsorption time, Fe2+ and S2- concentration, pH, the temperature and ionic strength in adsorption reaction solution on the sorption were investigated. Therefore, the stability of Fe2+ and S2- adsorbed by fermented rice husk was further validated by desorption experiments performed under similar conditions as adsorption. The results showed that, the adsorption kinetics of Fe2+ (r = 0.912 1) and S2- (r = 0.901 1) by fermented rice husk fits the Elovich kinetics equation, and Freundlich isotherm model could simulate the isotherm adsorption processes of Fe2+ (R2 = 0.965 1) and S2- (R2 = 0.936 6) on fermented rice husk was better than other models. The adsorption processes on fermented rice husk were non- preferential adsorption for Fe2+ and S2, while the adsorption process of Fe2+ on fermented rice husk was spontaneous reaction and the adsorption process of S2- was non-spontaneous reaction. The adsorption processes of Fe2+ and S2- on fermented rice husk were endothermic process since high temperature could benefit to the adsorption. The adsorption mechanism of Fe2+ on fermented rice husk was mainly controlled by coordination adsorption, the adsorption mechanism of S2- on fermented rice husk was mainly controlled by ligand exchange adsorption. The adsorption processes of Fe2+ and S2- on fermented rice husk showed greater pH adaptability which ranged from 1.50 to 11.50. With the increasing of ionic strength, the amount of adsorbed Fe2+ on fermented rice husk wasincreased in some extent, the amount of adsorbed S2- on fermented rice husk was slightly decreased, which further proved the adsorption of Fe2+ was major in inner sphere complexation and the adsorption of S2- was major in outer complexation. The desorption rates of Fe2+ and S2- which was adsorbed by fermented

  12. Role of the solvent in the adsorption-desorption equilibrium of cinchona alkaloids between solution and a platinum surface: correlations among solvent polarity, cinchona solubility, and catalytic performance.

    PubMed

    Ma, Zhen; Zaera, Francisco

    2005-01-13

    The role that the nature of the solvent plays in defining the extent of cinchona alkaloid adsorption-desorption equilibrium on platinum surfaces has been studied both by testing their solubility in 54 different solvents and by probing the stability of adsorbed cinchona in the presence of those solvents. The solubilities vary by as much as 5-6 orders of magnitude, display volcano-type correlations with solvent polarity and dielectric constant, and follow a cinchonine < cinchonidine < quinine, quinidine sequence. The adsorption-desorption equilibrium shifts toward the solution with increasing dissolving power of the solvent. The relevance of these results to the behavior of cinchona as chiral modifiers in hydrogenation catalysis is discussed.

  13. Experimental adsorption isotherms based on inverse gas chromatography.

    PubMed

    Kalogirou, E; Bassiotis, I; Artemiadi, Th; Margariti, S; Siokos, V; Roubani-Kalantzopoulou, F

    2002-09-06

    A new chromatographic perturbation method is used for studying the adsorption-desorption equilibrium in various gas-solid heterogeneous systems. It is the reversed-flow method giving accurate and precise values of many physicochemical constants including the basic and necessary adsorption isotherm values. For four inorganic oxides, namely, Cr2O3, Fe2O3, TiO2 and PbO, and two aromatic hydrocarbons (benzene, toluene) these adsorption isotherms have been determined through a non-linear model.

  14. A reversible adsorption-desorption interface of DNA based on nano-sized zirconia and its application.

    PubMed

    Liu, Shou-Qing; Xu, Jing-Juan; Chen, Hong-Yuan

    2004-08-01

    It is essential for the information storage in DNA-based bio-chips to construct a reversible exchange interface of DNA. Here, a highly reproducible and reversible adsorption-desorption interface of DNA based on the nano-sized zirconia in different pH solution was successfully fabricated. The results showed that DNA can be adsorbed onto the nano-sized zirconia from its solution, and can desorb from the nanoparticles in 0.10 M KOH solution. When the matrix with nanoparticles returns to the DNA solution again, DNA can be re-adsorbed onto them as initial state. Moreover, the interaction of DNA with non-electroactive molecules, 2,2'-bipyridine, has been studied by electrochemistry method in the aid of probe Co(phen)(3)(3+). The experiments showed that when 2,2'-bipyridine was added into the test solution, the voltammetric peak currents of Co(phen)(3)(3+) decreased; and the decrease value of peak current against the concentration of 2,2'-bipyridine has a good Langmuir relationship, by which the equilibrium constant of interaction between 2,2'-bipyridine and DNA was estimated to be 1.57 x 10(4)M(-1).

  15. Counting metastable states within the adsorption/desorption hysteresis loop: A molecular simulation study of confinement in heterogeneous pores.

    PubMed

    Puibasset, Joël

    2010-09-14

    A molecular simulation approach has been used to model simple fluid adsorption in heterogeneous tubular pores mimicking mesoporous materials such as MCM-41 or porous silicon, allowing to determine the amount adsorbed ρ as a function of the chemical potential μ. A hysteresis loop is observed in adsorption/desorption cycles, which is closely connected to the appearance of many metastable states. The density of these metastable states is studied in the μ-ρ plane. Experimentally, the accessible metastable states are those that can be attained by the μ-path, i.e., a series of increasing or decreasing μ steps. One could also imagine using a quench from high temperature. Although the total density of metastable states is not directly accessible to experiments, it is of primary theoretical importance to understand the structure of metastable states in the hysteresis as determined experimentally. The disorder associated with the porous material realizations is accurately taken into account, and a systematic system size analysis is also performed in order to study the thermodynamic limit. It is shown that the quenched complexity is the relevant quantity to understand the hysteresis structure in the thermodynamic limit. It clearly exhibits a distinctive behavior depending on the distribution of heterogeneities characterizing the disorder in the pore. Some analogies can be found with the situation where an out-of-equilibrium transition appears, but careful examination of the data suggests another interpretation.

  16. Adsorption/desorption process of formaldehyde onto iron doped graphene: a theoretical exploration from density functional theory calculations.

    PubMed

    Cortés-Arriagada, Diego; Villegas-Escobar, Nery; Miranda-Rojas, Sebastián; Toro-Labbé, Alejandro

    2017-02-08

    The interaction of formaldehyde (H2CO) onto Fe-doped graphene (FeG) was studied in detail from density functional theory calculations and electronic structure analyses. Our aim was to obtain insights into the adsorption, desorption and sensing properties of FeG towards H2CO, a hazardous organic compound. The adsorption of H2CO was shown to be energetically stable onto FeG, with adsorption energies of up to 1.45 eV and favored in different conformations. This interaction was determined to be mostly electrostatic in nature, where the oxygen plays an important role in this contribution; besides, our quantum molecular dynamics results showed the high stability of the FeG-H2CO interaction at ambient temperature (300 K). All the interactions were determined to be accompanied by an increase in the HOMO-LUMO energy gap with respect to the isolated adsorbent, indicating that FeG is highly sensitive to H2CO with respect to pristine graphene. Finally, it was found that external electric fields of 0.04-0.05 a.u. were able to induce the pollutant desorption from the adsorbent, allowing the adsorbent reactivation for repetitive applications. These results indicate that FeG could be a promising candidate for adsorption/sensing platforms of H2CO.

  17. Critical review: Radionuclide transport, sediment transport, and water quality mathematical modeling; and radionuclide adsorption/desorption mechanisms

    SciTech Connect

    Onishi, Y.; Serne, R.J.; Arnold, E.M.; Cowan, C.E.; Thompson, F.L.

    1981-01-01

    This report describes the results of a detailed literature review of radionuclide transport models applicable to rivers, estuaries, coastal waters, the Great Lakes, and impoundments. Some representatives sediment transport and water quality models were also reviewed to evaluate if they can be readily adapted to radionuclide transport modeling. The review showed that most available transport models were developed for dissolved radionuclide in rivers. These models include the mechanisms of advection, dispersion, and radionuclide decay. Since the models do not include sediment and radionuclide interactions, they are best suited for simulating short-term radionuclide migration where: (1) radionuclides have small distribution coefficients; (2) sediment concentrations in receiving water bodies are very low. Only 5 of the reviewed models include full sediment and radionuclide interactions: CHMSED developed by Fields; FETRA SERATRA, and TODAM developed by Onishi et al, and a model developed by Shull and Gloyna. The 5 models are applicable to cases where: (1) the distribution coefficient is large; (2) sediment concentrations are high; or (3) long-term migration and accumulation are under consideration. The report also discusses radionuclide absorption/desorption distribution ratios and addresses adsorption/desorption mechanisms and their controlling processes for 25 elements under surface water conditions. These elements are: Am, Sb, C, Ce, Cm, Co, Cr, Cs, Eu, I, Fe, Mn, Np, P, Pu, Pm, Ra, Ru, Sr, Tc, Th, {sup 3}H, U, Zn and Zr.

  18. Adsorption/desorption of arsenic by tropical peat: influence of organic matter, iron and aluminium.

    PubMed

    de Oliveira, Lílian Karla; Melo, Camila Almeida; Goveia, Danielle; Lobo, Fabiana Aparecida; Armienta Hernández, Maria Aurora; Fraceto, Leonardo Fernandes; Rosa, André Henrique

    2015-01-01

    The objective of this work was to investigate the interaction of arsenic species (As(III) and As(V)) with tropical peat. Peat samples collected in Brazil were characterized using elemental analysis and 13C NMR. Adsorption experiments were performed using different concentrations of As with peat in natura and enriched with Fe or Al, at three different pH levels. Peat samples, in natura or enriched with metals, were analysed before and after adsorption processes using Fourier transform infrared spectroscopy (FTIR) spectroscopy. The adsorption kinetics was evaluated, and the data were fitted using the Langmuir and Freundlich models. The results showed that interaction between As and peat was dependent on the levels of organic matter (OM) and the metals (Fe and Al). As(III) was not adsorbed by in natura peat or Al-enriched peat, although small amounts of As(III) were adsorbed by Fe-enriched peat. Adsorption of As(V) by the different peat samples ranged from 21.3 to 52.7 μg g(-1). The best fit to the results was obtained using the pseudo-second-order kinetic model, and the adsorption of As(V) could be described by the Freundlich isotherm model. The results showed that Fe-enriched peat was most effective in immobilizing As(V). FTIR analysis revealed the formation of ternary complexes involving As(V) and peat enriched with metals, suggesting that As(V) was associated with Al or Fe-OM complexes by metal bridging.

  19. Uptake of gaseous formaldehyde by soil surfaces: a combination of adsorption/desorption equilibrium and chemical reactions

    NASA Astrophysics Data System (ADS)

    Li, Guo; Su, Hang; Li, Xin; Kuhn, Uwe; Meusel, Hannah; Hoffmann, Thorsten; Ammann, Markus; Pöschl, Ulrich; Shao, Min; Cheng, Yafang

    2016-08-01

    Gaseous formaldehyde (HCHO) is an important precursor of OH radicals and a key intermediate molecule in the oxidation of atmospheric volatile organic compounds (VOCs). Budget analyses reveal large discrepancies between modeled and observed HCHO concentrations in the atmosphere. Here, we investigate the interactions of gaseous HCHO with soil surfaces through coated-wall flow tube experiments applying atmospherically relevant HCHO concentrations of ˜ 10 to 40 ppbv. For the determination of uptake coefficients (γ), we provide a Matlab code to account for the diffusion correction under laminar flow conditions. Under dry conditions (relative humidity = 0 %), an initial γ of (1.1 ± 0.05) × 10-4 is determined, which gradually drops to (5.5 ± 0.4) × 10-5 after 8 h experiments. Experiments under wet conditions show a smaller γ that drops faster over time until reaching a plateau. The drop of γ with increasing relative humidity as well as the drop over time can be explained by the adsorption theory in which high surface coverage leads to a reduced uptake rate. The fact that γ stabilizes at a non-zero plateau suggests the involvement of irreversible chemical reactions. Further back-flushing experiments show that two-thirds of the adsorbed HCHO can be re-emitted into the gas phase while the residual is retained by the soil. This partial reversibility confirms that HCHO uptake by soil is a complex process involving both adsorption/desorption and chemical reactions which must be considered in trace gas exchange (emission or deposition) at the atmosphere-soil interface. Our results suggest that soil and soil-derived airborne particles can either act as a source or a sink for HCHO, depending on ambient conditions and HCHO concentrations.

  20. [Dynamics of soil phosphorus adsorption-desorption in maize/soybean relay intercropping system in purple hilly area].

    PubMed

    Xu, Min; Song, Chun; Dai, Wei; Xiao, Xia; Mao, Lu; Wang, Xiao-chun; Yang, Wen-yu

    2015-07-01

    Field plot experiment was carried out to study the effect of phosphorus application on soil phosphorus adsorption-desorption characteristics under three cropping patterns including maize/soybean relay intercropping (M/S), maize monoculture (M), and soybean monoculture (S). Results showed that without phosphorus fertilization, the system crop yield under M/S was increased by 9.8% and 79. 1% compared with that of M and S, respectively, and the land equivalent ratio (LER) was 1.58. With phosphate fertilizer application, the system crop yield under M/S was increased by 10.4% and 80.3% compared with that of M and S, respectively, and the LER was 1.62. The system crop yields under M/S, M and S with phosphate fertilizer application were increased by 12.7%, 12. 2% and 17. 6%, respectively, compared with that without phosphorus fertilization. Among three cropping patterns, the soil buffer capacity (SBC) values were in the order of M/S>M >S regardless of phosphate fertilizer applied or not. The SBC values of M/S, M and S without phosphate fertilizer application were reduced by 19.6%, 30.3% and 12.0% compared with phosphate fertilizer application treatments, respectively. The soil desorption per absorption (b) values of the three cropping patterns with phosphate fertilizer application were in the order of M/S>M>S, and the b values increased by 10.9%, 39.1% and -9.6%, respectively, compared with non phosphate fertilizer application. The soil phosphorus maximum absorption (Qm) and soil phosphorus desorption rate also showed the same trend.

  1. Measuring Multivalent Binding Interactions by Isothermal Titration Calorimetry.

    PubMed

    Dam, Tarun K; Talaga, Melanie L; Fan, Ni; Brewer, Curtis F

    2016-01-01

    Multivalent glycoconjugate-protein interactions are central to many important biological processes. Isothermal titration calorimetry (ITC) can potentially reveal the molecular and thermodynamic basis of such interactions. However, calorimetric investigation of multivalency is challenging. Binding of multivalent glycoconjugates to proteins (lectins) often leads to a stoichiometry-dependent precipitation process due to noncovalent cross-linking between the reactants. Precipitation during ITC titration severely affects the quality of the baseline as well as the signals. Hence, the resulting thermodynamic data are not dependable. We have made some modifications to address this problem and successfully studied multivalent glycoconjugate binding to lectins. We have also modified the Hill plot equation to analyze high quality ITC raw data obtained from multivalent binding. As described in this chapter, ITC-driven thermodynamic parameters and Hill plot analysis of ITC raw data can provide valuable information about the molecular mechanism of multivalent lectin-glycoconjugate interactions. The methods described herein revealed (i) the importance of functional valence of multivalent glycoconjugates, (ii) that favorable entropic effects contribute to the enhanced affinities associated with multivalent binding, (iii) that with the progression of lectin binding, the microscopic affinities of the glycan epitopes of a multivalent glycoconjugate decrease (negative cooperativity), (iv) that lectin binding to multivalent glycoconjugates, especially to mucins, involves internal diffusion jumps, (bind and jump) and (v) that scaffolds of glycoconjugates influence their entropy of binding.

  2. Visualizing monolayers with a water-soluble fluorophore to quantify adsorption, desorption, and the double layer

    PubMed Central

    Shieh, Ian C.; Zasadzinski, Joseph A.

    2015-01-01

    Contrast in confocal microscopy of phase-separated monolayers at the air–water interface can be generated by the selective adsorption of water-soluble fluorescent dyes to disordered monolayer phases. Optical sectioning minimizes the fluorescence signal from the subphase, whereas convolution of the measured point spread function with a simple box model of the interface provides quantitative assessment of the excess dye concentration associated with the monolayer. Coexisting liquid-expanded, liquid-condensed, and gas phases could be visualized due to differential dye adsorption in the liquid-expanded and gas phases. Dye preferentially adsorbed to the liquid-disordered phase during immiscible liquid–liquid phase coexistence, and the contrast persisted through the critical point as shown by characteristic circle-to-stripe shape transitions. The measured dye concentration in the disordered phase depended on the phase composition and surface pressure, and the dye was expelled from the film at the end of coexistence. The excess concentration of a cationic dye within the double layer adjacent to an anionic phospholipid monolayer was quantified as a function of subphase ionic strength, and the changes in measured excess agreed with those predicted by the mean-field Gouy–Chapman equations. This provided a rapid and noninvasive optical method of measuring the fractional dissociation of lipid headgroups and the monolayer surface potential. PMID:25675499

  3. Effect of UV irradiation on adsorption/desorption of oxygen and water on carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Muckley, Eric S.; Nelson, Anthony J.; Jacobs, Christopher B.; Ivanov, Ilia N.

    2016-02-01

    Carbon nanotube (CNT) films composed of semiconducting single wall nanotubes (s-SWNTs), metallic single wall nanotubes (m-SWNTs), and multiwall nanotubes (MWNTs) were exposed to O2 and H2O vapor in the dark and under UV irradiation. Changes in the film conductivity and mass were measured in situ. We find that UV irradiation increases the resistive response of CNT films to O2 and H2O by more than an order of magnitude. In m-SWNT and MWNT films, UV irradiation changes the sign of the resistive response to O2 and H2O by generating free charge carriers. S-SWNTs show the largest UV-induced resistive response and exhibit weakening of van der Waals interactions with the QCM crystal when exposed to gas/vapor.

  4. Investigating adsorption/desorption of carbon dioxide in aluminum compressed gas cylinders.

    PubMed

    Miller, Walter R; Rhoderick, George C; Guenther, Franklin R

    2015-02-03

    resultant deviation from unity being a measure of the CO2 loss or gain. Cylinders from three specialty gas vendors were tested to find the appropriate cylinder in which to prepare the new PSMs. All cylinders tested showed a loss of CO2, presumably to the walls of the cylinder. The vendor cylinders exhibiting the least loss of CO2 were then purchased to be used to gravimetrically prepare the PSMs, adjusting the calculated mole fraction for the loss bias and an uncertainty calculated from this work.

  5. Experimental and Numerical Investigation of Adsorption/Desorption in Packed Sorption Beds Under Ideal and Non-Ideal Flows

    NASA Technical Reports Server (NTRS)

    Mohamadinejad, H.; Knox, J. C.; Smith, James E.

    1999-01-01

    The importance of the wall effect on packed beds in the adsorption and desorption of carbon dioxide, nitrogen, and water on molecular sieve 5A of 0.127 cm in radius is examined experimentally and with one-dimensional computer simulations. Experimental results are presented for a 22.5-cm long by 4.5-cm diameter cylindrical column with concentration measurements taken at various radial locations. The set of partial differential equations are solved using finite differences and Newman's method. Comparison of test data with the axial-dispersed, non-isothermal, linear driving force model suggests that a two-dimensional model (submitted to Separation Science and Technology) is required for accurate simulation of the average column breakthrough concentration. Additional comparisons of test data with the model provided information on the interactive effects of carrier gas coadsorption with CO2, as well as CO2-H2O interactions.

  6. Advanced structural analysis of nanoporous materials by thermal response measurements.

    PubMed

    Oschatz, Martin; Leistner, Matthias; Nickel, Winfried; Kaskel, Stefan

    2015-04-07

    Thermal response measurements based on optical adsorption calorimetry are presented as a versatile tool for the time-saving and profound characterization of the pore structure of porous carbon-based materials. This technique measures the time-resolved temperature change of an adsorbent during adsorption of a test gas. Six carbide and carbon materials with well-defined nanopore architecture including micro- and/or mesopores are characterized by thermal response measurements based on n-butane and carbon dioxide as the test gases. With this tool, the pore systems of the model materials can be clearly distinguished and accurately analyzed. The obtained calorimetric data are correlated with the adsorption/desorption isotherms of the materials. The pore structures can be estimated from a single experiment due to different adsorption enthalpies/temperature increases in micro- and mesopores. Adsorption/desorption cycling of n-butane at 298 K/1 bar with increasing desorption time allows to determine the pore structure of the materials in more detail due to different equilibration times. Adsorption of the organic test gas at selected relative pressures reveals specific contributions of particular pore systems to the increase of the temperature of the samples and different adsorption mechanisms. The use of carbon dioxide as the test gas at 298 K/1 bar provides detailed insights into the ultramicropore structure of the materials because under these conditions the adsorption of this test gas is very sensitive to the presence of pores smaller than 0.7 nm.

  7. Isothermal Titration Calorimetry Measurements of Metal Ions Binding to Proteins.

    PubMed

    Quinn, Colette F; Carpenter, Margaret C; Croteau, Molly L; Wilcox, Dean E

    2016-01-01

    ITC measurements involving metal ions are susceptible to a number of competing reactions (oxidation, precipitation, and hydrolysis) and coupled reactions involving the buffer and protons. Stabilization and delivery of the metal ion as a well-defined and well-characterized complex with the buffer, or a specific ligand, can suppress undesired solution chemistry and, depending on the stability of the metal complex, allow accurate measurements of higher affinity protein-binding sites. This requires, however, knowledge of the thermodynamics of formation of the metal complex and accounting for its contribution to the experimentally measured values (KITC and ΔHITC) through a post hoc analysis that provides the condition-independent binding thermodynamics (K, ΔG(o), ΔH, ΔS, and ΔCP). This analysis also quantifies the number of protons that are displaced when the metal ion binds to the protein.

  8. Adsorption of water vapor by poly(styrenesulfonic acid), sodium salt: isothermal and isobaric adsorption equilibria.

    PubMed

    Toribio, F; Bellat, J P; Nguyen, P H; Dupont, M

    2004-12-15

    Air conditioning and dehumidifying systems based on sorption on solids are of great interest, especially in humid climates, because they allow reduction of thermal loads and use of chlorofluorocarbons. Previous studies have shown that hydrophilic polymers such as sulfonic polymers can have very high performance in water adsorption from air. The aim of this study was to characterize the water vapor adsorption properties of fully sulfonated and monosulfonated poly(styrenesulfonic acid), sodium salt, and to elucidate the mechanism of adsorption on these materials. Adsorption isotherms have been determined by TGA between 298 and 317 K for pressures ranging from 0.1 to 45 hPa. They have type II of the IUPAC classification and a small hysteresis loop between adsorption and desorption processes was observed only for the monosulfonated sample. Water content is up to 80% weight at 80% relative humidity. Adsorption isotherms have been well fitted with the FHH model. Adsorption-desorption isobars have been determined by TGA under 37 hPa in the temperature range 298-373 K. They show that these polymers can be completely regenerated by heating at 313 K under humidified air. No degradation of the adsorption properties has been observed after several regenerations. Adsorption enthalpies and entropies have been deduced from the Clapeyron equation and from DSC measurements. A good agreement was found. A mechanism of adsorption is proposed considering two kinds of adsorbate: bounded water in electrostatic interaction with functional groups and free water resulting from condensation.

  9. Modeling Langmuir isotherms with the Gillespie stochastic algorithm.

    PubMed

    Epstein, J; Michael, J; Mandona, C; Marques, F; Dias-Cabral, A C; Thrash, M

    2015-02-06

    The overall goal of this work is to develop a robust modeling approach that is capable of simulating single and multicomponent isotherms for biological molecules interacting with a variety of adsorbents. Provided the ratio between the forward and reverse adsorption/desorption constants is known, the Gillespie stochastic algorithm has been shown to be effective in modeling isotherms consistent with the Langmuir theory and uptake curves that fall outside this traditional approach. We have used this method to model protein adsorption on ion-exchange adsorbents, hydrophobic interactive adsorbents and ice crystals. In our latest efforts we have applied the Gillespie approach to simulate binary and ternary isotherms from the literature involving gas-solid adsorption applications. In each case the model is consistent with the experimental results presented.

  10. Use of absorbent materials in on-line coupled reversed-phase liquid chromatography-gas chromatography via the through oven transfer adsorption desorption interface.

    PubMed

    Flores, Gema; Díaz-Plaza, Eva María; Cortés, Jose Manuel; Villén, Jesús; Herraiz, Marta

    2008-11-21

    The use of absorbents as retaining materials in the through oven transfer adsorption desorption interface (TOTAD) of an on-line coupled reversed-phase liquid chromatography-gas chromatography system (RPLC-GC) is proposed for the first time. A comparative study of an adsorbent (Tenax TA) and two absorbents, namely polydimethylsiloxane and poly(50% phenyl/50% methylsiloxane) is performed to establish the best experimental conditions for the automated and simultaneous determination of 15 organophosphorus and organochlorine pesticide residues in olive oil. The proposed method provides satisfactory repeatability (RSDs lower, in general, than 8.5%) and sensitivity (limits of detection ranging from 0.6 to 81.9 microg/L) for the investigated compounds.

  11. Local mean age measurements for heating, cooling, and isothermal supply air conditions

    SciTech Connect

    Han, H.; Kuehn, T.H.; Kim, Y.

    1999-07-01

    The objective of this paper is to investigate the effect on room ventilation of thermal buoyancy caused by temperature differences between surfaces and the supply air. Spatial distributions of local mean age were obtained in a half-scale environmental chamber under well-controlled temperature conditions simulating isothermal ventilation, cooling, and heating. Air was supplied and returned through slots in the ceiling. Sulfur hexafluoride (SF{sub 6}) tracer gas concentration was measured by an electron capture gas chromatograph. Tracer gas concentration was measured at various points in the chamber versus time after a pulse injection was applied in the supply air duct. The maximum local mean age (LMA) was obtained near the center of a large recirculation zone for isothermal conditions. The results for cooling conditions showed a relatively uniform LMA distribution in the space compared to the isothermal conditions, as the room air was well mixed by the cold downdraft from the supply. However, there was a large variation in local air change indices in the space for the heating condition because of stable thermal stratification. Warm supply air could not penetrate into the lower half of the space but short-circuited to the exhaust duct. The model results in the present study can be converted to full-scale situations using similitude and can be used for validating computational fluid dynamics codes.

  12. Self-healable and reversible liposome leakage by citrate-capped gold nanoparticles: probing the initial adsorption/desorption induced lipid phase transition

    NASA Astrophysics Data System (ADS)

    Wang, Feng; Liu, Juewen

    2015-09-01

    We herein report that the adsorption/desorption of citrate-capped gold nanoparticles (AuNPs) transiently causes leakage in fluid phase DOPC liposomes, while the liposomes do not leak with AuNPs capped with mercaptopropionic acid (MPA). Leakage also fails to occur for gel phase DPPC liposomes. Citrate-capped (but not MPA-capped) AuNPs raise the phase transition temperature of DPPC. We conclude that citrate-capped AuNPs interact with the PC liposomes very strongly, inducing a local fluid-to-gel lipid phase transition for DOPC. Leakage takes place during this transition, and the membrane integrity is resumed after the transition. Citrate-capped AuNPs allow stronger van der Waals forces than MPA-capped AuNPs with PC liposomes, since the latter are separated from the liposome surface by the ~0.3 nm MPA layer.We herein report that the adsorption/desorption of citrate-capped gold nanoparticles (AuNPs) transiently causes leakage in fluid phase DOPC liposomes, while the liposomes do not leak with AuNPs capped with mercaptopropionic acid (MPA). Leakage also fails to occur for gel phase DPPC liposomes. Citrate-capped (but not MPA-capped) AuNPs raise the phase transition temperature of DPPC. We conclude that citrate-capped AuNPs interact with the PC liposomes very strongly, inducing a local fluid-to-gel lipid phase transition for DOPC. Leakage takes place during this transition, and the membrane integrity is resumed after the transition. Citrate-capped AuNPs allow stronger van der Waals forces than MPA-capped AuNPs with PC liposomes, since the latter are separated from the liposome surface by the ~0.3 nm MPA layer. Electronic supplementary information (ESI) available: Methods, TEM, UV-vis and DLS data. See DOI: 10.1039/c5nr04805b

  13. Chemical noise produced by equilibrium adsorption/desorption of surface pyridine at Au-Ag-Au bimetallic atom-scale junctions studied by fluctuation spectroscopy.

    PubMed

    Hwang, Tai-Wei; Branagan, Sean P; Bohn, Paul W

    2013-03-20

    The chemical noise contained in conductance fluctuations resulting from adsorption and desorption of pyridine at Au-Ag-Au bimetallic atom-scale junctions (ASJs) exhibiting ballistic electron transport is studied using fluctuation spectroscopy. ASJs are fabricated by electrochemical Ag deposition in a Au nanogap to produce a high-conductance Ag quantum wire, followed by electromigration-induced thinning in pyridine solution to create stable ASJs. The conductance behavior of the resulting ASJs is analyzed by sequential autocorrelation and Fourier transform of the current-time data to yield the power spectral density (PSD). In these experiments the PSDs from Ag ASJs in pyridine exhibit two main frequency regions: 1/f noise originating from resistance fluctuations of the junction itself at low frequencies, and a Lorentzian noise component arising from molecular adsorption/desorption fluctuations at higher frequencies. The characteristic cutoff frequency of the Lorentzian noise component determines the relaxation time of molecular fluctuations, which, in turn, is sensitive to the kinetics of the adsorption/desorption process. The kinetics are found to depend on concentration and on the adsorption binding energy. The junction size (<5G0), on the other hand, does not affect the kinetics, as the cutoff frequency remains unchanged. Concentration-dependent adsorption free energies are interpreted as arising from a distribution of binding energies, N(E(b)), on the Ag ASJ. Other observations, such as long lifetime ASJs and two-level fluctuations in conductance, provide additional evidence for the integral role of the adsorbate in determining ASJ reorganization dynamics.

  14. BENCHMARK EVALUATION OF THE INITIAL ISOTHERMAL PHYSICS MEASUREMENTS AT THE FAST FLUX TEST FACILITY

    SciTech Connect

    John Darrell Bess

    2010-05-01

    The benchmark evaluation of the initial isothermal physics tests performed at the Fast Flux Test Facility, in support of Fuel Cycle Research and Development and Generation-IV activities at the Idaho National Laboratory, has been completed. The evaluation was performed using MCNP5 with ENDF/B-VII.0 nuclear data libraries and according to guidelines provided for inclusion in the International Reactor Physics Experiment Evaluation Project Handbook. Results provided include evaluation of the initial fully-loaded core critical, two neutron spectra measurements near the axial core center, 32 reactivity effects measurements (21 control rod worths, two control rod bank worths, six differential control rod worths, two shutdown margins, and one excess reactivity), isothermal temperature coefficient, and low-energy electron and gamma spectra measurements at the core center. All measurements were performed at 400 ºF. There was good agreement between the calculated and benchmark values for the fully-loaded core critical eigenvalue, reactivity effects measurements, and isothermal temperature coefficient. General agreement between benchmark experiment measurements and calculated spectra for neutrons and low-energy gammas at the core midplane exists, but calculations of the neutron spectra below the core and the low-energy gamma spectra at core midplane did not agree well. Homogenization of core components may have had a significant impact upon computational assessment of these effects. Future work includes development of a fully-heterogeneous model for comprehensive evaluation. The reactor physics measurement data can be used in nuclear data adjustment and validation of computational methods for advanced fuel cycle and nuclear reactor systems using Liquid Metal Fast Reactor technology.

  15. PIV measurements of isothermal plane turbulent impinging jets at moderate Reynolds numbers

    NASA Astrophysics Data System (ADS)

    Khayrullina, A.; van Hooff, T.; Blocken, B.; van Heijst, G. J. F.

    2017-04-01

    This paper contains a detailed experimental analysis of an isothermal plane turbulent impinging jet (PTIJ) for two jet widths at moderate Reynolds numbers (7200-13,500) issued on a horizontal plane at fixed relative distances equal to 22.5 and 45 jet widths. The available literature on such flows is scarce. Previous studies on plane turbulent jets mainly focused on free jets, while most studies on impinging jets focused on the heat transfer between the jet and an impingement plane, disregarding jet development. The present study focuses on isothermal PTIJs at moderate Reynolds numbers characteristic of air curtains. Flow visualisations with fluorescent dye and 2D particle image velocimetry (PIV) measurements have been performed. A comparison is made with previous studies of isothermal free turbulent jets at moderate Reynolds numbers. Mean and instantaneous velocity and vorticity, turbulence intensity, and Reynolds shear stress are analysed. The jet issued from the nozzle with higher aspect ratio shows more intensive entrainment and a faster decay of the centreline velocity compared to the jet of lower aspect ratio for the same value of jet Reynolds number. The profiles of centreline and cross-jet velocity and turbulence intensity show that the PTIJs behave as a free plane turbulent jet until 70-75% of the total jet height. Alongside the information obtained on the jet dynamics, the data will be useful for the validation of numerical simulations.

  16. Planar Laser-Induced Fluorescence fuel concentration measurements in isothermal Diesel sprays.

    PubMed

    Pastor, José; López, José; Juliá, J; Benajes, Jesús

    2002-04-08

    This paper presents a complete methodology to perform fuel concentration measurements of Diesel sprays in isothermal conditions using the Planar Laser-Induced Fluorescence (PLIF) technique. The natural fluorescence of a commercial Diesel fuel is used with an excitation wavelength of 355 nm. The correction and calibration procedures to perform accurate measurements are studied. These procedures include the study of the fluorescence characteristics of the fuel as well as the correction of the laser sheet non-homogeneities and the losses due to Mie scattering, absorption and autoabsorption. The results obtained are compared with theoretical models and other experimental techniques.

  17. Adsorption-desorption studies of indigocarmine from industrial effluents by using deoiled mustard and its comparison with charcoal.

    PubMed

    Gupta, Vinod K; Jain, Rajeev; Malathi, S; Nayak, Arunima

    2010-08-15

    Deoiled mustard obtained from local oil mills has been used as an inexpensive and effective adsorbent for the removal of indigocarmine dye from industrial effluents. The influence of various factors on the adsorption capacity has been studied by batch experiments. The adsorption studies validate both Langmuir and Freundlich adsorption isotherms. Thermodynamic parameters such as DeltaG degrees, DeltaH degrees, and DeltaS degrees for the adsorption process were calculated, which indicated the feasibility of the adsorption process. Desorption profiles revealed that a significant portion (85%) could be desorbed from deoiled mustard by using 30% glycerol as eluting agent.

  18. Effect of cation type, alkyl chain length, adsorbate size on adsorption kinetics and isotherms of bromide ionic liquids from aqueous solutions onto microporous fabric and granulated activated carbons.

    PubMed

    Hassan, Safia; Duclaux, Laurent; Lévêque, Jean-Marc; Reinert, Laurence; Farooq, Amjad; Yasin, Tariq

    2014-11-01

    The adsorption from aqueous solution of imidazolium, pyrrolidinium and pyridinium based bromide ionic liquids (ILs) having different alkyl chain lengths was investigated on two types of microporous activated carbons: a fabric and a granulated one, well characterized in terms of surface chemistry by "Boehm" titrations and pH of point of zero charge measurements and of porosity by N2 adsorption at 77 K and CO2 adsorption at 273 K. The influence of cation type, alkyl chain length and adsorbate size on the adsorption properties was analyzed by studying kinetics and isotherms of eight different ILs using conductivity measurements. Equilibrium studies were carried out at different temperatures in the range [25-55 °C]. The incorporation of ILs on the AC porosity was studied by N2 adsorption-desorption measurements at 77 K. The experimental adsorption isotherms data showed a good correlation with the Langmuir model. Thermodynamic studies indicated that the adsorption of ILs onto activated carbons was an exothermic process, and that the removal efficiency increased with increase in alkyl chain length, due to the increase in hydrophobicity of long chain ILs cations determined with the evolution of the calculated octanol-water constant (Kow). The negative values of free energies indicated that adsorption of ILs with long chain lengths having hydrophobic cations was more spontaneous at the investigated temperatures.

  19. A simple method for measuring excess adsorption isotherms of organic eluent components on reversed-phase packing materials.

    PubMed

    Ohashi, Junji; Harada, Makoto; Okada, Tetsuo

    2017-02-01

    A simple frontal analysis method has been developed for the reliable measurement of excess adsorption isotherms of an organic component on reversed-phase adsorbents in a series of programmed concentration steps. In the present method, a peak, which is produced by refractive index change in column eluate, is detected at 589 nm; it represents the elution volume of the boundary. The method is applied to the measurement of the excess adsorption isotherms of organic eluent components from water on commercially available reversed-phase stationary phases. The results are in good agreement with the previously reported isotherms. We also measure the excess adsorption isotherms of organic eluent components from solutions containing electrolytes. There are not any interference peaks on the elution traces. The method is thus reliably applicable to the evaluation of the excess adsorption of organic eluent components in practical systems.

  20. On the physical meaning of the isothermal titration calorimetry measurements in calorimeters with full cells.

    PubMed

    Grolier, Jean-Pierre E; del Río, Jose Manuel

    2009-12-09

    We have performed a detailed study of the thermodynamics of the titration process in an isothermal titration calorimeter with full cells. We show that the relationship between the enthalpy and the heat measured is better described in terms of the equation Delta H = W(inj) + Q (where W(inj) is the work necessary to carry out the titration) than in terms of DeltaH = Q. Moreover, we show that the heat of interaction between two components is related to the partial enthalpy of interaction at infinite dilution of the titrant component, as well as to its partial volume of interaction at infinite dilution.

  1. On the Physical Meaning of the Isothermal Titration Calorimetry Measurements in Calorimeters with Full Cells

    PubMed Central

    Grolier, Jean-Pierre E.; del Río, Jose Manuel

    2009-01-01

    We have performed a detailed study of the thermodynamics of the titration process in an isothermal titration calorimeter with full cells. We show that the relationship between the enthalpy and the heat measured is better described in terms of the equation Δ H = Winj + Q (where Winj is the work necessary to carry out the titration) than in terms of ΔH = Q. Moreover, we show that the heat of interaction between two components is related to the partial enthalpy of interaction at infinite dilution of the titrant component, as well as to its partial volume of interaction at infinite dilution. PMID:20054472

  2. Adsorption of oxygen molecule in NaA zeolite: Isotherms and infrared measurements

    NASA Astrophysics Data System (ADS)

    Soussen-Jacob, Janine; Tsakiris, Jean; Cohen De Lara, Evelyne

    1989-08-01

    Isotherm and infrared induced band of O2 have been studied in the temperature range 93-193 K. At low temperature and low coverage, two components of the fundamental vibrational band appear on both sides of the gas frequency. Their intensities with respect to T and to the number of adsorbed molecules have been measured in order to understand the interaction of O2 with NaA zeolite. The frequency shift of each component has been related to the orientation of the molecule, from considerations about the interaction potential.

  3. A Peltier cell calorimeter for the direct measurement of the isothermal entropy change in magnetic materials.

    PubMed

    Basso, Vittorio; Küpferling, Michaela; Sasso, Carlo P; Giudici, Laura

    2008-06-01

    We developed a calorimetric technique to measure the isothermal magnetocaloric entropy change. The method consists in the use of Peltier cells as heat flow sensor and heat pump at the same time. In this paper, we describe the setup, the constitutive equations of the Peltier cell as sensor and actuator, and the calibration procedure. The Peltier heat is used to keep the sample isothermal when magnetic field is changed. The temperature difference between the sample and the thermal reservoir is kept by a digital control within 5 mK for a magnetic field rate of 20 mT s(-1). The heat flux sensitivity around 1 microW. With this method, it is possible to measure the magnetocaloric effect in magnetic materials by tracing the curves of the exchanged entropy Delta(e)s as a function of the magnetic field H. The method proves to be, in particular, suitable to reveal the role of the entropy production Delta(i)s, which is connected with hysteresis. Measurement examples are shown for Gd, BaFe(12)O(19) ferrite, and Gd-Si-Ge.

  4. A Peltier cell calorimeter for the direct measurement of the isothermal entropy change in magnetic materials

    NASA Astrophysics Data System (ADS)

    Basso, Vittorio; Küpferling, Michaela; Sasso, Carlo P.; Giudici, Laura

    2008-06-01

    We developed a calorimetric technique to measure the isothermal magnetocaloric entropy change. The method consists in the use of Peltier cells as heat flow sensor and heat pump at the same time. In this paper, we describe the setup, the constitutive equations of the Peltier cell as sensor and actuator, and the calibration procedure. The Peltier heat is used to keep the sample isothermal when magnetic field is changed. The temperature difference between the sample and the thermal reservoir is kept by a digital control within 5mK for a magnetic field rate of 20mTs-1. The heat flux sensitivity around 1μW. With this method, it is possible to measure the magnetocaloric effect in magnetic materials by tracing the curves of the exchanged entropy Δes as a function of the magnetic field H. The method proves to be, in particular, suitable to reveal the role of the entropy production Δis, which is connected with hysteresis. Measurement examples are shown for Gd, BaFe12O19 ferrite, and Gd-Si-Ge.

  5. Idealized Shale Sorption Isotherm Measurements to Determine Pore Volume, Pore Size Distribution, and Surface Area

    NASA Astrophysics Data System (ADS)

    Holmes, R.; Wang, B.; Aljama, H.; Rupp, E.; Wilcox, J.

    2014-12-01

    One method for mitigating the impacts of anthropogenic CO2-related climate change is the sequestration of CO2 in depleted gas and oil reservoirs, including shale. The accurate characterization of the heterogeneous material properties of shale, including pore volume, surface area, pore size distributions (PSDs) and composition is needed to understand the interaction of CO2 with shale. Idealized powdered shale sorption isotherms were created by varying incremental amounts of four essential components by weight. The first two components, organic carbon and clay, have been shown to be the most important components for CO2 uptake in shales. Organic carbon was represented by kerogen isolated from a Silurian shale, and clay groups were represented by illite from the Green River shale formation. The rest of the idealized shale was composed of equal parts by weight of SiO2 to represent quartz and CaCO3 to represent carbonate components. Baltic, Eagle Ford, and Barnett shale sorption measurements were used to validate the idealized samples. The idealized and validation shale sorption isotherms were measured volumetrically using low pressure N2 (77K) and CO2 (273K) adsorbates on a Quantachrome Autosorb IQ2. Gravimetric isotherms were also produced for a subset of these samples using CO2 and CH4adsorbates under subsurface temperature and pressure conditions using a Rubotherm magnetic suspension balance. Preliminary analyses were inconclusive in validating the idealized samples. This could be a result of conflicting reports of total organic carbon (TOC) content in each sample, a problem stemming from the heterogeneity of the samples and different techniques used for measuring TOC content. The TOC content of the validation samples (Eagle Ford and Barnett) was measured by Rock-Eval pyrolysis at Weatherford Laboratories, while the TOC content in the Baltic validation samples was determined by LECO TOC. Development of a uniform process for measuring TOC in the validation samples is

  6. Electron temperature measurement in Maxwellian non-isothermal beam plasma of an ion thruster

    SciTech Connect

    Zhang, Zun; Tang, Haibin Kong, Mengdi; Zhang, Zhe; Ren, Junxue

    2015-02-15

    Published electron temperature profiles of the beam plasma from ion thrusters reveal many divergences both in magnitude and radial variation. In order to know exactly the radial distributions of electron temperature and understand the beam plasma characteristics, we applied five different experimental approaches to measure the spatial profiles of electron temperature and compared the agreement and disagreement of the electron temperature profiles obtained from these techniques. Experimental results show that the triple Langmuir probe and adiabatic poly-tropic law methods could provide more accurate space-resolved electron temperature of the beam plasma than other techniques. Radial electron temperature profiles indicate that the electrons in the beam plasma are non-isothermal, which is supported by a radial decrease (∼2 eV) of electron temperature as the plume plasma expands outward. Therefore, the adiabatic “poly-tropic law” is more appropriate than the isothermal “barometric law” to be used in electron temperature calculations. Moreover, the calculation results show that the electron temperature profiles derived from the “poly-tropic law” are in better agreement with the experimental data when the specific heat ratio (γ) lies in the range of 1.2-1.4 instead of 5/3.

  7. HEAT OF HYDRATION OF SALTSTONE MIXES-MEASUREMENT BY ISOTHERMAL CALORIMETRY

    SciTech Connect

    Harbour, J; Vickie Williams, V; Tommy Edwards, T

    2007-07-02

    This report provides initial results on the measurement of heat of hydration of Saltstone mixes using isothermal calorimetry. The results were obtained using a recently purchased TAM Air Model 3116 Isothermal Conduction Calorimeter. Heat of hydration is an important property of Saltstone mixes. Greater amounts of heat will increase the temperature of the curing mix in the vaults and limit the processing rate. The heat of hydration also reflects the extent of the hydraulic reactions that turn the fluid mixture into a ''stone like'' solid and consequently impacts performance properties such as permeability. Determining which factors control these reactions, as monitored by the heat of hydration, is an important goal of the variability study. Experiments with mixes of portland cement in water demonstrated that the heats measured by this technique over a seven day period match very well with the literature values of (1) seven day heats of hydration using the standard test method for heat of hydration of hydraulic cement, ASTM C 186-05 and (2) heats of hydration measured using isothermal calorimetry. The heats of hydration of portland cement or blast furnace slag in a Modular Caustic Side Solvent Extraction Unit (MCU) simulant revealed that if the cure temperature is maintained at 25 C, the amount of heat released over a seven day period is roughly 62% less than the heat released by portland cement in water. Furthermore, both the blast furnace slag and the portland cement were found to be equivalent in heat production over the seven day period in MCU. This equivalency is due to the activation of the slag by the greater than 1 Molar free hydroxide ion concentration in the simulant. Results using premix (a blend of 10% cement, 45% blast furnace slag, and 45% fly ash) in MCU, Deliquification, Dissolution and Adjustment (DDA) and Salt Waste Processing Facility (SWPF) simulants reveal that the fly ash had not significantly reacted (undergone hydration reactions) after seven

  8. Comparison of Adsorption/Desorption of Volatile Organic Compounds (VOCs) on Electrospun Nanofibers with Tenax TA for Potential Application in Sampling

    PubMed Central

    Chu, Lanling; Deng, Siwei; Zhao, Renshan; Deng, Jianjun; Kang, Xuejun

    2016-01-01

    The objective of this study was to compare the adsorption/desorption of target compounds on homemade electrospun nanofibers, polystyrene (PS) nanofibers, acrylic resin (AR) nanofibers and PS-AR composite nanofibers with Tenax TA. Ten volatile organic compounds (VOCs) were analyzed by preconcentration onto different sorbents followed by desorption (thermal and solvent orderly) and analysis by capillary gas chromatography. In comparison to Tenax TA, the electrospun nanofibers displayed a significant advantage in desorption efficiency and adsorption selectivity. Stability studies were conducted as a comparative experiment between PS-AR nanofibers and Tenax TA using toluene as the model compound. No stability problems were observed upon storage of toluene on both PS-AR nanofibers and Tenax TA over 60 hours period when maintained in an ultra-freezer (−80°C). The nanofibers provided slightly better stability for the adsorbed analytes than Tenax TA under other storage conditions. In addition, the nanofibers also provided slightly better precision than Tenax TA. The quantitative adsorption of PS-AR nanofibers exhibited a good linearity, as evidenced by the 0.988–0.999 range of regression coefficients (R). These results suggest that for VOCs sampling the electrospun nanofibers can be a potential ideal adsorbent. PMID:27776140

  9. Adsorption, Desorption, and Displacement Kinetics of H2O and CO2 on Forsterite, Mg2SiO4(011)

    SciTech Connect

    Smith, R. Scott; Li, Zhenjun; Dohnalek, Zdenek; Kay, Bruce D.

    2014-12-18

    We have examined the adsorbate-substrate interaction kinetics of CO2 and H2O on a natural forsterite crystal surface, Mg2SiO4(011), with 10-15% of substitutional Fe2+. We use temperature programmed desorption (TPD) and molecular beam techniques to determine the adsorption, desorption, and displacement kinetics for H2O and CO2. Neither CO2 nor H2O has distinct sub-monolayer desorption peaks but instead both have a broad continuous desorption feature that evolve smoothly into multilayer desorption. Inversion of the monolayer coverage spectra for both molecules reveals that the corresponding binding energies for H2O are greater than that for CO2 on all sites. The relative strength of these interactions is the dominant factor in the competitive adsorption/displacement kinetics. In experiments where the two adsorbates are co-dosed, H2O always binds to the highest energy binding sites available and displaces CO2. The onset of CO2 displacement by H2O occurs between 65 and 75 K.

  10. Exploring the problem of mold growth and the efficacy of various mold inhibitor methods during moisture sorption isotherm measurements.

    PubMed

    Yu, X; Martin, S E; Schmidt, S J

    2008-03-01

    Mold growth is a common problem during the equilibration of food materials at high relative humidity values using the standard saturated salt slurry method. Exposing samples to toluene vapor and mixing samples with mold inhibitor chemicals are suggested methods for preventing mold growth while obtaining isotherms. However, no published research was found that examined the effect of mold growth on isotherm performance or the efficacy of various mold inhibitor methods, including their possible effect on the physicochemical properties of food materials. Therefore, the objectives of this study were to (1) explore the effect of mold growth on isotherm performance in a range of food materials, (2) investigate the effectiveness of 4 mold inhibitor methods, irradiation, 2 chemical inhibitors (potassium sorbate and sodium acetate), and toluene vapor, on mold growth on dent corn starch inoculated with A. niger, and (3) examine the effect of mold inhibitor methods on the physicochemical properties of dent corn starch, including isotherm performance, pasting properties, gelatinization temperature, and enthalpy. Mold growth was found to affect starch isotherm performance by contributing to weight changes during sample equilibration. Among the 4 mold inhibitor methods tested, irradiation and toluene vapor were found to be the most effective for inhibiting growth of A. niger on dent cornstarch. However, both methods exhibited a significant impact on the starches' physiochemical properties, suggesting the need to probe the efficacy of other mold inhibitor methods and explore the use of new rapid isotherm instruments, which hamper mold growth by significantly decreasing measurement time.

  11. The Ca(2+)-EDTA chelation as standard reaction to validate Isothermal Titration Calorimeter measurements (ITC).

    PubMed

    Ràfols, Clara; Bosch, Elisabeth; Barbas, Rafael; Prohens, Rafel

    2016-07-01

    A study about the suitability of the chelation reaction of Ca(2+)with ethylenediaminetetraacetic acid (EDTA) as a validation standard for Isothermal Titration Calorimeter measurements has been performed exploring the common experimental variables (buffer, pH, ionic strength and temperature). Results obtained in a variety of experimental conditions have been amended according to the side reactions involved in the main process and to the experimental ionic strength and, finally, validated by contrast with the potentiometric reference values. It is demonstrated that the chelation reaction performed in acetate buffer 0.1M and 25°C shows accurate and precise results and it is robust enough to be adopted as a standard calibration process.

  12. Isothermal calorimetry: impact of measurements error on heat of reaction and kinetic calculations.

    PubMed

    Papadaki, Maria; Nawada, Hosadu P; Gao, Jun; Fergusson-Rees, Andrew; Smith, Michael

    2007-04-11

    Heat flow and power compensation calorimetry measures the power generation of a reaction via an energy balance over an appropriately designed isothermal reactor. However, the measurement of the power generated by a reaction is a relative measurement, and calibrations are used to eliminate the contribution of a number of unknown factors. In this work the effect of the error in the measurement of temperature of electric power used in the calibrations and the heat transfer coefficient and baseline is assessed. It has been shown that the error in all aforementioned quantities reflects on the baseline and it can have a very serious impact on the accuracy of the measurement. The influence of the fluctuation of ambient temperature has been evaluated and a means of a correction that reduces its impact has been implemented. The temperature of dosed material is affected by the heat loses if reaction is performed at high temperature and low dosing rate. An experimental methodology is presented that can provide means of assessment of the actual temperature of the dosed material. Depending on the reacting system, the heat of evaporation could be included in the baseline, especially if non-condensable gases are produced during the course of the reaction.

  13. Measuring Water Content and Desorption Isotherms in Soil Simulants Under Martian Conditions

    NASA Astrophysics Data System (ADS)

    Hudson, T.; Aharonson, O.; Schorghofer, N.; Hecht, M. H.; Bridges, N.; Green, J. R.

    2003-12-01

    Theoretical predictions as well as recent spacecraft observations indicate that large quantities of ice is present in the high latitudes upper decimeters to meters of the Martian regolith. At shallower depths and warmer locations small amounts of H2O, either adsorbed or free, may be present transiently. We seek to simulate Mars surface conditions and to observe the effects of temperature cycling (diurnal and seasonal scale) on the water content profiles of several soil simulants. To model the upper Martian regolith, we begin by using crushed JSC Mars-1 palagonite with particles in the 50 micron to sub-micron size range. Spheres of pure silica in the 10 to 40 mm range may also be used to study the effects of grain surface morphology and composition. Simulants with various water contents are brought to Mars pressures and monitored. A line source heat-pulse probe is being prepared to monitor water content profiles in real-time and to be calibrated against water content samples measured with thermogravimetric (TG) analysis. Initial experiments will allow us to monitor water content; more refined investigations will permit the determination of desorption isotherms.

  14. An isothermal flowmeter with improved frequency response for measuring tissue blood flow.

    PubMed

    Olshausen, K; Gross, R; Kirchheim, H

    1976-11-30

    An isothermal flowmeter with improved frequency response for measuring tissue blood flow was developed using thermistors. Direct heating of the thermistors allows a simple construction of small (0.5 mm outer diameter) capillary probes which do not require any additional heating coil. The changes of a feedback current necessary to keep the thermistor at a constant increment above tissue temperature indicate tissue blood flow; a second thermistor compensates variations of tissue temperature. The dynamic performance of the device shows a low-pass characteristic with a cut-off frequency higher than 5 Hz. For low flow rates the output signal was found to be proportional to the flow; for higher flow rates a linearization was necessary. Since tissue temperature can be recorded continuously, intermittent quantitative in-vivo calibration seems possibly by evaluation of "heater off" curves in the perfused and non-perfused tissue. As the flowmeter is insensitive to tissue temperature, it can be used for long-term recordings.

  15. Isothermal mass flow measurements in microfabricated rectangular channels over a very wide Knudsen range

    NASA Astrophysics Data System (ADS)

    Anderson, John M.; Moorman, Matthew W.; Brown, Jason R.; Hochrein, James M.; Thornberg, Steven M.; Achyuthan, Komandoor E.; Gallis, Michael A.; Torczynski, John R.; Khraishi, Tariq; Manginell, Ronald P.

    2014-05-01

    Measurement and modeling of gas flows in microelectromechanical systems (MEMS) scale channels are relevant to the fundamentals of rarefied gas dynamics (RGD) and the practical design of MEMS-based flow systems and micropumps. We describe techniques for building robust, leak-free, rectangular microchannels which are relevant to micro- and nanofluidic devices, while the channels themselves are useful for fundamental RGD studies. For the first time, we report the isothermal steady flow of helium (He) gas through these channels from the continuum to the free-molecular regime in the unprecedented Knudsen range of 0.03-1000. On the high end, our value is 20-fold larger than values previously reported by Ewart et al (2007 J. Fluid Mech. 584 337-56). We accomplished this through a dual-tank accumulation technique which enabled the monitoring of very low flow rates, below 10-14 kg s-1. The devices were prebaked under vacuum for 24 h at 100 °C in order to reduce outgassing and attain high Kn. We devised fabrication methods for controlled-depth micro-gap channels using silicon for both channel ceiling and floor, thereby allowing direct comparisons to models which utilize this simplifying assumption. We evaluated the results against a closed-form expression that accurately reproduces the continuum, slip, transition, and free-molecular regimes developed partly by using the direct simulation Monte Carlo method. The observed data were in good agreement with the expression. For Kn > ˜100, we observed minor deviations between modeled and experimental flow values. Our fabrication processes and experimental data are useful to fundamental RGD studies and future MEMS microflow devices with respect to extremely low-flow measurements, model validation, and predicting optimal designs.

  16. ON THE ACCURACY OF THE DIFFERENTIAL EMISSION MEASURE DIAGNOSTICS OF SOLAR PLASMAS. APPLICATION TO SDO/AIA. I. ISOTHERMAL PLASMAS

    SciTech Connect

    Guennou, C.; Auchere, F.; Soubrie, E.; Bocchialini, K.; Barbey, N.

    2012-12-15

    Differential emission measure (DEM) analysis is a major diagnostic tool for stellar atmospheres. However, both its derivation and its interpretation are notably difficult because of random and systematic errors, and the inverse nature of the problem. We use simulations with simple thermal distributions to investigate the inversion properties of SDO/AIA observations of the solar corona. This allows a systematic exploration of the parameter space, and using a statistical approach the respective probabilities of all the DEMs compatible with the uncertainties can be computed. Following this methodology, several important properties of the DEM inversion, including new limitations, can be derived and presented in a very synthetic fashion. In this first paper, we describe the formalism and we focus on isothermal plasmas as building blocks to understand the more complex DEMs studied in the second paper. The behavior of the inversion of AIA data being thus quantified, and we provide new tools to properly interpret the DEM. We quantify the improvement of the isothermal inversion with six AIA bands compared to previous EUV imagers. The maximum temperature resolution of AIA is found to be 0.03 log T{sub e} , and we derive a rigorous test to quantify the compatibility of observations with the isothermal hypothesis. However, we demonstrate limitations in the ability of AIA alone to distinguish different physical conditions.

  17. Direct measurement of the interactions of amide solvents with single-walled carbon nanotubes using isothermal titration calorimetry.

    PubMed

    Alston, Jeffrey R; Overson, Devon; Poler, Jordan C

    2012-01-10

    The interaction enthalpy of amide solvents with single-walled carbon nanotube (SWCNT) dispersions is measured using isothermal titration calorimetry (ITC). N,N-Dimethyl-formamide (DMF) and N-methyl-2-pyrilidone (NMP) were used to make dispersions of highly purified (6,5) SWCNTs. Using isothermal titration calorimetry, the ΔH and K(A) terms related to the solvent-nanotube interactions were measured, and ΔG and ΔS of the interaction were determined. It was found that the interaction enthalpy of NMP with SWCNTs dispersed in DMF was exothermic. The addition of a second solvent into a NMP or DMF dispersion produced spontaneous exfoliation of SWCNT bundles as the solvent properties became more favorable. During the titration, a positive change in interaction entropy within the dispersed system due to the unbundling of SWCNTs was measured. From blank titrations of pure DMF into pure NMP and the reverse, dilution enthalpies were also calculated and compared to the literature, along with the corresponding enthalpic interaction coefficients, h(xx) and h(xxx). From our results, ITC appears to be a viable technique for measuring the interaction of solvent molecules with the surface of SWCNTs and for measuring the effect of mixed solvent properties on SWCNT dispersions.

  18. Thermooxidative stability of poppy seeds studied by non-isothermal DSC measurements.

    PubMed

    Cibulková, Zuzana; Čertík, Milan; Dubaj, Tibor

    2014-05-01

    Papaver somniferum L. is an important crop cultivated mostly for seed production. Poppy seeds have a high nutritive value and are used as a food and as a source of edible oil. This oil is a rich source of polyunsaturated fatty acids. It is well known that the unsaturated fatty acids easily undergo oxidation reactions, which lead to the reduction of shelf life, nutritional quality, development of unpleasant tastes and odors. The goal of this study was to develop the methodology for testing the stability of poppy seeds using non-isothermal DSC. For the treatment of the experimental data a method based on non-Arrhenian temperature function has been applied and the values the kinetic parameters have been obtained. In order to assess the durability of the commercial poppy seeds, the lengths of induction periods have been calculated.

  19. Automated determination of pesticide residues in olive oil by on-line reversed-phase liquid chromatography-gas chromatography using the through oven transfer adsorption desorption interface with electron-capture and nitrogen-phosphorus detectors operating simultaneously.

    PubMed

    Díaz-Plaza, Eva M; Cortés, Jose M; Vázquez, Ana; Villén, Jesús

    2007-12-07

    A rapid method for the multiresidue analysis of pesticides in olive oil is presented. Pesticides are analyzed by on-line coupling reversed-phase liquid chromatography-gas chromatography using the through oven transfer adsorption desorption (TOTAD) interface with subsequent simultaneous electron-capture and nitrogen-phosphorus detection by post-column splitter. An autosampler is employed and the olive oil is simply filtered before the chromatographic analysis. Organophosphorus, organochlorine and triazine pesticides are determined in one run. The limits of detection are below the required maximum residue levels and calibration curves are linear in the range tested. Repeatabilities (intra-day and inter-days) are good. The method was satisfactory applied to the routine analysis of numerous olive oil samples.

  20. Direct analysis of pesticide residues in olive oil by on-line reversed phase liquid chromatography-gas chromatography using an automated through oven transfer adsorption desorption (TOTAD) interface.

    PubMed

    Sanchez, Raquel; Vázquez, Ana; Riquelme, David; Villén, Jesús

    2003-10-08

    A fully automated on-line reversed phase liquid chromatography-gas chromatography system is described. The system uses a prototype of the automated through oven transfer adsorption desorption interface. The system is demonstrated by presenting a new rapid method for the determination of pesticide residue in olive oil, which is injected directly with no sample pretreatment step other than filtration. Methanol:water is used as the eluent in the LC preseparation step, while the LC fraction containing the pesticide is automatically transferred to the gas chromatograph. Detection limits of pesticides varied from 0.18 to 0.44 mg/L when a flame ionization detector was used. As an example, relative standard deviation and linear calibration are presented for terbutryne.

  1. A universally applicable and rapid method for measuring the growth of streptomyces and other filamentous microorganisms by methylene blue adsorption-desorption.

    PubMed

    Fischer, Marco; Sawers, R Gary

    2013-07-01

    Quantitative assessment of growth of filamentous microorganisms, such as streptomycetes, is generally restricted to determination of dry weight. Here, we describe a straightforward methylene blue-based sorption assay to monitor microbial growth quantitatively, simply, and rapidly. The assay is equally applicable to unicellular and filamentous bacterial and eukaryotic microorganisms.

  2. Thermal stability and crystallization kinetics of Cu-Zr-Al-Ag BMGs investigated with isothermal electrical resistance measurement

    NASA Astrophysics Data System (ADS)

    Wang, Li-Fang; Cui, Xiao; Zhang, Qi-Dong; Zu, Fang-Qiu

    2014-07-01

    The thermal stability and crystallization kinetics of the Cu x Zr84- x Al8Ag8 ( x = 42, 40, 38, and 36) bulk metallic glasses (BMGs) were studied by measurement of isothermal electrical-resistance. As the composition becomes richer in Zr, the longer incubation time at the same relative annealing temperature, and the larger local activation energy needed to achieve the same crystallized volume-fraction, indicate improved thermal stability, which resists crystallization. The improved thermal stability is attributed to a denser atomic random-stacking structure and larger negative heat-of-mixing. During isothermal annealing processes, the four BMGs exhibited the same nucleation mechanism, which is a decreasing rate of nucleation over time. However, the crystal growth mechanisms of the four BMGs are different. The crystallization of the Cu36Zr48Al8Ag8 and Cu38Zr46Al8Ag8 BMGs is interface-controlled growth, contrasting with diffusion-controlled growth for the Cu40Zr44Al8Ag8 and Cu42Zr42Al8Ag8 alloys. The different growth modes may be caused by fluctuations in composition due to changes in the quantity and distribution of Cu-rich and Ag-rich regions.

  3. Isothermal-desorption-rate measurements in the vicinity of the Curie temperature for H2 chemisorbed on nickel films

    NASA Technical Reports Server (NTRS)

    Shanabarger, M. R.

    1979-01-01

    Measurements of the isothermal desorption rate of H2 chemisorbed onto polycrystalline nickel films made for temperatures spanning the Curie temperature of the nickel film are presented. Desorption kinetics were followed by measuring the decay of the change in resistance of the nickel film brought about by hydrogen chemisorption after gas-phase H2 had been rapidly evacuated. The desorption rate is found to undergo an anomalous decrease in the vicinity of the Curie temperature, accompanied by an increase in the desorption activation energy and the equilibrium constant for the chemisorbed hydrogen. The results are interpreted in terms of anomalous variations in rate constants for the formation of the precursor molecular adsorbed state and the chemisorbed atomic state due to the phase transition in the nickel. The changes in rate constants are also considered to be in qualitative agreement with theoretical predictions based on a spin coupling between the adatom and the magnetic substrate.

  4. Adsorption-desorption behavior of 2,4-D on NCP-modified bentonite and zeolite: implications for slow-release herbicide formulations.

    PubMed

    Bakhtiary, Somayeh; Shirvani, Mehran; Shariatmadari, Hossein

    2013-01-01

    Clay minerals have obtained considerable attention for slow-release formulation of herbicides to increase weed control efficacy and reduce leaching potential and environmental pollution. This study deals with preparing, characterizing and examining the potentials of modified bentonite and zeoilite in adsorption and release of 2,4-dichlorophenoxyacetic acid (2,4-D) herbicide. 2,4-D sorption of the N-cetylpyridinium (NCP)-modified bentonites and zeolites were much higher than those of unmodified substrates. The 2,4-D adsorption capacity of the organo-minerals increased with increasing surfactant loading. Desorption isotherms of 2,4-D did not coincide their corresponding sorption isotherms showing hysteresis. The proportion of 2,4-D released from the organo-minerals after seven desorption cycles varied between 29% and 50% of the total retained herbicide. The sorbed 2,4-D on the adsorbents showed gradual release pattern with time. The release pattern of 2,4-D from NCP-modified bentonite and zeolite, make these synthetic organo-minerals suitable candidate for slow release formulation of 2,4-D.

  5. Evaluation of the Initial Isothermal Physics Measurements at the Fast Flux Test Facility, a Prototypic Liquid Metal Fast Breeder Reactor

    SciTech Connect

    John D. Bess

    2010-03-01

    The Fast Flux Test Facility (FFTF) was a 400-MWt, sodium-cooled, low-pressure, high-temperature, fast-neutron flux, nuclear fission reactor plant designed for the irradiation testing of nuclear reactor fuels and materials for the development of liquid metal fast breeder reactors (LMFBRs). The FFTF was fueled with plutonium-uranium mixed oxide (MOX) and reflected by Inconel-600. Westinghouse Hanford Company operated the FFTF as part of the Hanford Engineering Development Laboratory (HEDL) for the U.S. Department of Energy on the Hanford Site near Richland, Washington. Although the FFTF was a testing facility not specifically designed to breed fuel or produce electricity, it did provide valuable information for LMFBR projects and base technology programs in the areas of plant system and component design, component fabrication, prototype testing, and site construction. The major objectives of the FFTF were to provide a strong, disciplined engineering base for the LMFBR program, provide fast flux testing for other U.S. programs, and contribute to the development of a viable self-sustaining competitive U.S. LMFBR industry. During its ten years of operation, the FFTF acted as a national research facility to test advanced nuclear fuels, materials, components, systems, nuclear power plant operating and maintenance procedures, and active and passive reactor safety technologies; it also produced a large number of isotopes for medical and industrial users, generated tritium for the U.S. fusion research program, and participated in cooperative, international research work. Prior to the implementation of the reactor characterization program, a series of isothermal physics measurements were performed; this acceptance testing program consisted of a series of control rod worths, critical rod positions, subcriticality measurements, maximum reactivity addition rates, shutdown margins, excess reactivity, and isothermal temperature coefficient reactivity. The results of these

  6. Isothermal titration calorimetry for drug design: Precision of the enthalpy and binding constant measurements and comparison of the instruments.

    PubMed

    Linkuvienė, Vaida; Krainer, Georg; Chen, Wen-Yih; Matulis, Daumantas

    2016-12-15

    Isothermal titration calorimetry (ITC) is one of the most robust label- and immobilization-free techniques used to measure protein - small molecule interactions in drug design for the simultaneous determination of the binding affinity (ΔG) and the enthalpy (ΔH), both of which are important parameters for structure-thermodynamics correlations. It is important to evaluate the precision of the method and of various ITC instrument models by performing a single well-characterized reaction. The binding between carbonic anhydrase II and acetazolamide was measured by four ITC instruments - PEAQ-ITC, iTC200, VP-ITC, and MCS-ITC and the standard deviation of ΔG and ΔH was determined. Furthermore, the limit of an approach to reduce the protein concentration was studied for a high-affinity reaction (Kd = 0.3 nM), too tight to be measured by direct (non-displacement) ITC. Chemical validation of the enthalpy measurements is discussed.

  7. Characterisation of the interaction of lactate dehydrogenase with Tween-20 using isothermal titration calorimetry, interfacial rheometry and surface tension measurements.

    PubMed

    McAuley, William J; Jones, David S; Kett, Vicky L

    2009-08-01

    In this study the nature of the interaction between Tween-20 and lactate dehydrogenase (LDH) was investigated using isothermal titration calorimetry (ITC). In addition the effects of the protein and surfactant on the interfacial properties were followed with interfacial rheology and surface tension measurements in order to understand the mechanism by which the surfactant prevents protein adsorption to the air-water interface. Comparisons were made with Tween-40 and Tween-80 in order to further investigate the mechanism. ITC measurements indicated a weak, probably hydrophobic, interaction between Tween-20 and LDH. Prevention of LDH adsorption to the air-water interface by the Tween surfactants was correlated with surface energy rather than surfactant CMC. While surface pressure appears to be the main driving force for the displacement of LDH from the air-water interface by Tween-20 a solubilisation mechanism may exist for other protein molecules. More generally the results of this study highlight the value of the use of ITC and interfacial measurements in characterising the surface behaviour of mixed surfactant and protein systems.

  8. Predictions and measurements of isothermal flowfields in axisymmetric combustor geometries. Ph.D. Thesis. Final Report

    NASA Technical Reports Server (NTRS)

    Rhodes, D. L.; Lilley, D. G.

    1985-01-01

    Numerical predictions, flow visualization experiments and time-mean velocity measurements were obtained for six basic nonreacting flowfields (with inlet swirl vane angles of 0 (swirler removed), 45 and 70 degrees and sidewall expansion angles of 90 and 45 degrees) in an idealized axisymmetric combustor geometry. A flowfield prediction computer program was developed which solves appropriate finite difference equations including a conventional two equation k-epsilon eddy viscosity turbulence model. The wall functions employed were derived from previous swirling flow measurements, and the stairstep approximation was employed to represent the sloping wall at the inlet to the test chamber. Recirculation region boundaries have been sketched from the entire flow visualization photograph collection. Tufts, smoke, and neutrally buoyant helium filled soap bubbles were employed as flow tracers. A five hole pitot probe was utilized to measure the axial, radial, and swirl time mean velocity components.

  9. Surface area and pore size characteristics of nanoporous gold subjected to thermal, mechanical, or surface modification studied using gas adsorption isotherms, cyclic voltammetry, thermogravimetric analysis, and scanning electron microscopy.

    PubMed

    Tan, Yih Horng; Davis, Jason A; Fujikawa, Kohki; Ganesh, N Vijaya; Demchenko, Alexei V; Stine, Keith J

    2012-01-01

    Nitrogen adsorption/desorption isotherms are used to investigate the Brunauer, Emmett, and Teller (BET) surface area and Barrett-Joyner-Halenda (BJH) pore size distribution of physically modified, thermally annealed, and octadecanethiol functionalized np-Au monoliths. We present the full adsorption-desorption isotherms for N(2) gas on np-Au, and observe type IV isotherms and type H1 hysteresis loops. The evolution of the np-Au under various thermal annealing treatments was examined using scanning electron microscopy (SEM). The images of both the exterior and interior of the thermally annealed np-Au show that the porosity of all free standing np-Au structures decreases as the heat treatment temperature increases. The modification of the np-Au surface with a self-assembled monolayer (SAM) of C(18)-SH (coverage of 2.94 × 10(14) molecules cm(-2) based from the decomposition of the C(18)-SH using thermogravimetric analysis (TGA)), was found to reduce the strength of the interaction of nitrogen gas with the np-Au surface, as reflected by a decrease in the 'C' parameter of the BET equation. From cyclic voltammetry studies, we found that the surface area of the np-Au monoliths annealed at elevated temperatures followed the same trend with annealing temperature as found in the BET surface area study and SEM morphology characterization. The study highlights the ability to control free-standing nanoporous gold monoliths with high surface area, and well-defined, tunable pore morphology.

  10. Development of a method based on on-line reversed phase liquid chromatography and gas chromatography coupled by means of an adsorption-desorption interface for the analysis of selected chiral volatile compounds in methyl jasmonate treated strawberries.

    PubMed

    de la Peña Moreno, Fernando; Blanch, Gracia Patricia; Flores, Gema; Ruiz Del Castillo, Maria Luisa

    2010-02-12

    A method based on the use of the through oven transfer adsorption-desorption (TOTAD) interface in on-line coupling between reversed phase liquid chromatography and gas chromatography (RPLC-GC) for the determination of chiral volatile compounds was developed. In particular, the method was applied to the study of the influence of methyl jasmonate (MJ) treatment on the production and enantiomeric composition of selected aroma compounds in strawberry. The compounds studied were ethyl 2-methylbutanoate, linalool and 4-hydroxy-2,5-dimethyl-3(2H)-furanone (i.e. furaneol), which were examined on days 3, 6 and 9 after treatment. The method developed resulted in relative standard deviations (RSDs) of 21.6%, 8.1% and 9.8% and limits of detection (LD) of 0.04, 0.07 and 0.02mg/l for ethyl 2-methylbutanoate, linalool and furaneol, respectively. The application of the RPLC-TOTAD-GC method allowed higher levels of ethyl 2-methylbutanoate, linalool and furaneol to be detected, particularly after 9 days of treatment. Besides, MJ demonstrated to affect the enantiomeric distribution of ethyl 2-methylbutanoate. On the contrary, the enantiomeric composition of linalool and furaneol kept constant in both control and MJ-treated strawberries throughout the study. These results are discussed.

  11. The use of cork waste as a biosorbent for persistent organic pollutants-Study of adsorption/desorption of polycyclic aromatic hydrocarbons.

    PubMed

    Olivella, Maria À; Jové, Patrícia; Oliveras, Anna

    2011-01-01

    The aim of this study is to determine the sorption-desorption behavior of a mixture of thirteen aqueous PAHs on cork waste at a particle of size 0.25-0.42 mm obtained from the remains of cork strips. The final purpose is to use this natural adsorbent as an alternative to activated carbon in an innovative approach for the removal of this class of toxic compounds, and significantly reduce the regeneration costs of the process. The chemical composition of the selected cork revealed that suberin (38.5 %) and lignin (31.6 %) were the main structural components of the cell wall. The high efficiency of cork as a biosorbent of PAHs is shown by the fact that just over 80 % of adsorption occurred during the first two minutes of contact time. Both Freundlich's and Langmuir's isotherms gave good fits to the sorption process. The highest adsorption affinities were exhibited for pyrene, anthracene, and phenanthrene. Desorption studies indicate a high degree of irreversibility for all PAHs, and especially so in the case of high molecular PAHs. The correlation with K(F) and low molecular weight PAHs was the most significant. The quantity of cork required to reduce water pollution was estimated to be between 3 and 15 times less than the quantities required in the case of other materials (i.e. aspen wood and leonardite). This study demonstrates for the first time that cork is a potential biosorbent for PAHs and may have relevance in the future treatment of PAH-contaminated waters.

  12. Revealing the surface and bulk regimes of isothermal graphene growth on Ni with in situ kinetic measurements and modeling

    SciTech Connect

    Puretzky, Alexander A; Merkulov, Igor A; Rouleau, Christopher M; Eres, Gyula; Geohegan, David B

    2014-01-01

    In situ optical diagnostics are used to reveal the isothermal nucleation and growth mechanisms of graphene on Ni across a wide temperature range (560 C < T < 840 C) by chemical vapor deposition from single, sub-second pulses of acetylene. An abrupt, two-orders of magnitude change in growth times (~ 100s to 1s) is revealed at T = 680 C. Below and above this temperature, similar sigmoidal kinetics are measured and attributed to autocatalytic growth reactions but by two different mechanisms, surface assembly and dissolution/precipitation, respectively. These data are used to develop a simple and general kinetic model for graphene growth that includes the nucleation phase and includes the effects of carbon solubility in metals, describes delayed nucleation, and allows the interpretation of the competition between surface and bulk growth modes. The sharp transition in growth kinetics at T = 680 C is explained by a change in defect site density required for nucleation due to a transition in the carbon-induced mobility of the Ni surface. The easily-implemented optical reflectivity diagnostics and the simple kinetic model described here allow a pathway to optimize the growth of graphene on metals with arbitrary carbon solubility.

  13. Adsorption kinetics and isotherm of anionic dyes onto organo-bentonite from single and multisolute systems.

    PubMed

    Shen, Dazhong; Fan, Jianxin; Zhou, Weizhi; Gao, Baoyu; Yue, Qinyan; Kang, Qi

    2009-12-15

    The performances of polydiallydimethylammonium modified bentonite (PDADMA-bentonite) as an adsorbent to remove anionic dyes, namely Acid Scarlet GR (AS-GR), Acid Turquoise Blue 2G (ATB-2G) and Indigo Carmine (IC), were investigated in single, binary and ternary dye systems. In adsorption from single dye solutions with initial concentration of 100 micromol/L, the dosage of PDADMA-bentonite needed to remove 95% dye was 0.42, 0.68 and 0.75 g/L for AS-GR, ATB-2G and IC, respectively. The adsorption isotherms of the three dyes obeyed the Langmuir isotherm model with the equilibrium constants of 0.372, 0.629 and 4.31 L/micromol, the saturation adsorption amount of 176.3, 149.2 and 228.7 micromol/g for ATB-2G, IC and AS-GR, respectively. In adsorption from mixed dye solutions, the isotherm of each individual dye followed an expanded Langmuir isotherm model and the relationship between the total amount of dyes adsorbed and the total equilibrium dye concentration was interpreted well by Langmuir isotherm model. In the region of insufficient dosage of PDADMA-bentonite, the dye with a larger affinity was preferentially removed by adsorption. Desorption was observed in the kinetic curve of the dye with lower affinity on PDADMA-bentonite surface by the competitive adsorption. The kinetics in single dye solution and the total adsorption of dyes in binary and ternary dye systems nicely followed pseudo-second-order kinetic model.

  14. Characterizing size and porosity of hollow nanoparticles: SAXS, SANS, TEM, DLS, and adsorption isotherms compared.

    PubMed

    Chen, Zhi Hong; Kim, Chanhoi; Zeng, Xiang-bing; Hwang, Sun Hye; Jang, Jyongsik; Ungar, Goran

    2012-10-30

    A combination of experimental methods, including transmission and grazing incidence small-angle X-ray scattering (SAXS and GISAXS), small-angle neutron scattering (SANS), transmission electron microscopy (TEM), dynamic light scattering (DLS), and N(2) adsorption-desorption isotherms, was used to characterize SiO(2)/TiO(2) hollow nanoparticles (HNPs) of sizes between 25 and 100 nm. In the analysis of SAXS, SANS, and GISAXS data, the decoupling approximation and the Percus-Yevick structure factor approximation were used. Brunauer-Emmett-Teller, t-plot, and a spherical pore model based on Kelvin equation were applied in the treatment of N(2) isotherms. Extracted parameters from the scattering and TEM methods are the average outer and inner diameters and polydispersity. Good agreement was achieved between different methods for these extracted parameters. Merits, advantages, and disadvantages of the different methods are discussed. Furthermore, the combination of these methods provided us with information on the porosity of the shells of HNPs and the size of intrawall pores, which are critical to the applications of HNPs as drug delivery vehicles and catalyst supports.

  15. Adsorption of methylene blue onto poly(cyclotriphosphazene-co-4,4'-sulfonyldiphenol) nanotubes: kinetics, isotherm and thermodynamics analysis.

    PubMed

    Chen, Zhonghui; Zhang, Jianan; Fu, Jianwei; Wang, Minghuan; Wang, Xuzhe; Han, Runping; Xu, Qun

    2014-05-30

    Poly(cyclotriphosphazene-co-4,4'-sulfonyldiphenol) (PZS) nanotubes, an excellent adsorbent, were successfully synthesized by an in situ template method and used for the removal of methylene blue (MB) from aqueous solution. The morphology and structures of as-synthesized PZS nanotubes were characterized by scanning electron microscopy, transmission electron microscope, Fourier transform infrared spectroscopy and N2 adsorption/desorption isotherms. The effects of temperature, concentration, pH and contact time on MB adsorption were studied. It was favorable for adsorption under the condition of basic and high temperature. The pseudo-first-order, pseudo-second-order and intraparticle diffusion models were used to fit adsorption data in the kinetic studies. And results showed that the adsorption kinetics were more accurately described by the pseudo-second-order model. The equilibrium isotherms were conducted using Freundlich and Langmuir models. It has been demonstrated that the better agreement was Langmuir isotherm with correlation coefficient of 0.9933, equilibrium absorption capacity of 69.16mg/g and the corresponding contact time of 15min. Thermodynamic analyses showed that MB adsorption onto the PZS nanotubes was endothermic and spontaneous and it was also a physisorption process.

  16. Distribution of carbon nanotube sizes from adsorption measurements and computer simulation.

    PubMed

    Kowalczyk, Piotr; Hołyst, Robert; Tanaka, Hideki; Kaneko, Katsumi

    2005-08-04

    The method for the evaluation of the distribution of carbon nanotube sizes from the static adsorption measurements and computer simulation of nitrogen at 77 K is developed. We obtain the condensation/evaporation pressure as a function of pore size of a cylindrical carbon tube using Gauge Cell Monte Carlo Simulation (Gauge Cell MC). To obtain the analytical form of the relationships mentioned above we use Derjaguin-Broekhoff-deBoer theory. Finally, the pore size distribution (PSD) of the single-walled carbon nanohorns (SWNHs) is determined from a single nitrogen adsorption isotherm measured at 77 K. We neglect the conical part of an isolated SWNH tube and assume a structureless wall of a carbon nanotube. We find that the distribution of SWNH sizes is broad (internal pore radii varied in the range 1.0-3.6 nm with the maximum at 1.3 nm). Our method can be used for the determination of the pore size distribution of the other tubular carbon materials, like, for example, multiwalled or double-walled carbon nanotubes. Besides the applicable aspect of the current work the deep insight into the problem of capillary condensation/evaporation in confined carbon cylindrical geometry is presented. As a result, the critical pore radius in structureless single-walled carbon tubes is determined as being equal to three nitrogen collision diameters. Below that size the adsorption-desorption isotherm is reversible (i.e., supercritical in nature). We show that the classical static adsorption measurements combined with the proper modeling of the capillary condensation/evaporation phenomena is a powerful method that can be applied for the determination of the distribution of nanotube sizes.

  17. Non-isothermal extrudate swell

    NASA Astrophysics Data System (ADS)

    Konaganti, Vinod Kumar; Derakhshandeh, Maziar; Ebrahimi, Marzieh; Mitsoulis, Evan; Hatzikiriakos, Savvas G.

    2016-12-01

    The non-isothermal extrudate swell of a high molecular weight high-density polyethylene (HDPE) in long capillary and slit dies is studied numerically (ANSYS POLYFLOW®) using an integral K-BKZ constitutive model including crystallization kinetics, determined experimentally. The Nakamura model is used for crystallization of the HDPE, where the crystallization rate parameter is evaluated by using the well-known Ziabicki equation. This non-isothermal extrudate swell phenomenon is simulated using the pseudo-time integral K-BKZ model with the Wagner damping function along with the differential form of the Nakamura model to account for the crystallization of the extrudate. The swell measurements were carried out under non-isothermal conditions by extruding the polymer melt at 200 °C through long capillary and slit dies to ambient air at 25 °C, 110 °C, and 200 °C. The numerical results are found to be in excellent agreement with experimental observations.

  18. Application of electron stimulated desorption techniques to measure the isotherm and the mean residence time of hydrogen physisorbed on a metal surface

    SciTech Connect

    Arakawa, Ichiro Shimizu, Hideyuki; Kawarabuki, Taku; Yamakawa, Koichiro; Miura, Takashi

    2015-03-15

    Electron stimulated desorption techniques were applied to probe the density of H{sub 2} physisorbed on a cold surface. The adsorption isotherm of H{sub 2} on a copper surface was measured in the equilibrium pressure range between 10{sup −9} and 10{sup −4} Pa at surface temperatures of 6.5 and 4.2 K. The mean residence times of H{sub 2} on copper were obtained from the observation of the time development of the surface density in a transitional state approaching equilibrium, and are 50–500 s for the coverage between 1 and 0.18 at 4.2 K of the substrate temperature. The adsorption energies of 1.18–1.27 kJ/mol, and the condensation coefficient of 0.074–0.018 were also deduced.

  19. Flow field velocity measurements for non-isothermal systems. [of chemically reactive flow inside fused silica CVD reactor vessels

    NASA Technical Reports Server (NTRS)

    Johnson, E. J.; Hyer, P. V.; Culotta, P. W.; Clark, I. O.

    1991-01-01

    Experimental techniques which can be potentially utilized to measure the gas velocity fields in nonisothermal CVD systems both in ground-based and space-based investigations are considered. The advantages and disadvantages of a three-component laser velocimetry (LV) system that was adapted specifically for quantitative determination of the mixed convective flows in a chamber for crystal growth and film formation by CVD are discussed. Data from a horizontal research CVD reactor indicate that current models for the effects of thermophoretic force are not adequate to predict the thermophoretic bias in arbitrary flow configurations. It is concluded that LV techniques are capable of characterizing the fluid dynamics of a CVD reactor at typical growth temperatures. Thermal effects are shown to dominate and stabilize the fluid dynamics of the reactor. Heating of the susceptor increases the gas velocities parallel to the face of a slanted susceptor by up to a factor of five.

  20. Adsorption isotherm of non-azeotropic solution onto porous adsorbents

    NASA Astrophysics Data System (ADS)

    Bono, A.; Ramlan, N. A.; Anisuzzaman, S. M.; Chu, C. M.; Farm, Y. Y.

    2016-06-01

    Adsorption isotherm is essential component in the understanding of the adsorption process. Several methods of the measurements, analysis and interpretation of adsorption from solution have been reported in the literature. Most of the measurements of adsorption isotherm from solution were involved the measurement of excess isotherm conducted at low region of sorbates concentration. Direct interpretation of excess adsorption isotherm as adsorption isotherm is always been practice. Therefore, in this work a study on the measurement of the adsorption isotherm from solution of non-azeotropic organic solvent mixture onto porous adsorbents for whole range of liquid concentration was conducted. The study included the measurement of excess adsorption isotherm using conventional technique. Theoretical analysis and interpretation of adsorption isotherm from the excess isotherm were conducted using Pseudo Ideal Adsorption, Gibbs Dividing Plane Model and Langmuir-Fruendlich binary isotherm model. For organic solvents, acetone and propanol were chosen as the adsorbates due to the non-azeotropic properties in the mixture. Activated carbon and silicalite were chosen as adsorbents due to the different in their porosity such as macro porous and micro porous structure. The result of the study has revealed that the adsorption isotherm of non-azeotropic mixture onto activated carbon and silicalite can be interpreted as monolayer type of adsorption.

  1. The impact of xylem cavitation on water potential isotherms measured by the pressure chamber technique in Metasequoia glyptostroboides Hu & W.C. Cheng.

    PubMed

    Yang, Dongmei; Pan, Shaoan; Tyree, Melvin T

    2016-08-01

    Pressure-volume (PV) curve analysis is the most common and accurate way of estimating all components of the water relationships in leaves (water potential isotherms) as summarized in the Höfler diagram. PV curve analysis yields values of osmotic pressure, turgor pressure, and elastic modulus of cell walls as a function of relative water content. It allows the computation of symplasmic/apoplastic water content partitioning. For about 20 years, cavitation in xylem has been postulated as a possible source of error when estimating the above parameters, but, to the best of the authors' knowledge, no one has ever previously quantified its influence. Results in this paper provide independent estimates of osmotic pressure by PV curve analysis and by thermocouple psychrometer measurement. An anatomical evaluation was also used for the first time to compare apoplastic water fraction estimates from PV analysis with anatomical values. Conclusions include: (i) PV curve values of osmotic pressure are underestimated prior to correcting osmotic pressure for water loss by cavitation in Metasequoia glyptostroboides; (ii) psychrometer estimates of osmotic pressure obtained in tissues killed by freezing or heating agreed with PV values before correction for apoplastic water dilution; (iii) after correction for dilution effects, a solute concentration enhancement (0.27MPa or 0.11 osmolal) was revealed. The possible sources of solute enhancement were starch hydrolysis and release of ions from the Donnan free space of needle cell walls.

  2. Adsorption of emulsified oil from metalworking fluid on activated bleaching earth-chitosan-SDS composites: Optimization, kinetics, isotherms.

    PubMed

    Naowanat, Nitiya; Thouchprasitchai, Nutthavich; Pongstabodee, Sangobtip

    2016-03-15

    The adsorption of emulsified oil from metalworking fluid (MWF) on activated bleaching earth (BE)-chitosan-sodium dodecyl sulfate (SDS) composites (BE/MCS) was investigated under a statistical design of experiments at a 95% confidence interval to identify the critical factors and to optimize the adsorption capacity. The BE/MCS adsorbents were characterized by means of X-ray diffraction, Fourier transform infrared spectroscopy, Brunauer-Emmett-Teller adsorption/desorption isotherms, contact angle analysis (sessile drop technique) and their zeta potential. From the results of a full 2(5) factorial design with three center points, the adsorbent weight and initial pH of the MWF had a significant antagonistic effect on the adsorption capacity while the initial MWF concentration and BE:chitosan:SDS weight ratio had a synergistic influence. Temperature factor has no discernible effect on the capacity. From the FCCC-RSM design, the optimal capacity range of 2840-2922.5 mg g(-1) was achieved at sorbent weight of 1.6-1.9 g, pH of 5.5-6.5, initial MWF concentration of 52-55 g l(-1) and BE:chitosan:SDS (w/w/w) ratio of 4.7:1:1-6.2:1:1. To test the validation and sensitivity of RSM model, the results showed that the estimated adsorption capacity was close to the experimental capacity within an error range of ±3%, suggesting that the RSM model was acceptable and satisfied. From three kinetics models (pseudo-first-order, pseudo-second-order model and Avrami's equation) and two adsorption isotherms (Langmuir model and Freundlich model), assessed using an error function (Err) and the coefficient of determination (R(2)), Avrami's equation and Freundlich isotherm model provided a good fitting for the data, suggesting the presence of more than one reaction pathway in the MWF adsorption process and the heterogeneous surface adsorption of the BC/ABE-5.5 composite.

  3. Removal of copper ions from water using epichlorohydrin cross-linked beta-cyclodextrin polymer: characterization, isotherms and kinetics.

    PubMed

    Sikder, M Tajuddin; Islam, Md Shariful; Kikuchi, Tohru; Suzuki, Junichi; Saito, Takeshi; Kurasaki, Masaaki

    2014-04-01

    Beta-cyclodextrin (beta-CD) cross-linked with epichlorohydrin to form water insoluble beta-cyclodextrin polymer (beta-CDP) has been shown to be an effective sorbent for sorption of organic particles, but the sorption of copper (Cu2+) in aqueous solutions by beta-CDP has not been conducted. The objective of this study was to explore the sorption mechanism of beta-CDP for copper. The effects of different experimental conditions such as pH, ionic strength, contact time, and temperature were inspected using a batch method. In addition, binding scheme was estimated by using Fourier transform infrared (FTIR) spectroscopy, Xray photoelectron spectroscopy (XPS), a scanning electron microscope (SEM), and Brunauer-Emmett-Teller (BET) analysis. The adsorption of Cu2+ was observed to be higher at pH 6.0. The kinetic study revealed that the adsorption is fitted well by the pseudo-second-order kinetic model. The maximum binding of Cu2+ was estimated to be 111.11 mg/g through the Langmuir isotherm model--much higher than the existing sorption technologies. Hence, the adsorption-desorption trends of epichlorohydrin cross-linked with beta-CD, along with its good recyclability, establish an alternative, effective, and novel remediation technology for the removal of Cu2+ from aqueous solutions.

  4. Rapid adsorption of copper(II) and lead(II) by rice straw/Fe₃O₄ nanocomposite: optimization, equilibrium isotherms, and adsorption kinetics study.

    PubMed

    Khandanlou, Roshanak; Ahmad, Mansor B; Fard Masoumi, Hamid Reza; Shameli, Kamyar; Basri, Mahiran; Kalantari, Katayoon

    2015-01-01

    Rice straw/magnetic nanocomposites (RS/Fe3O4-NCs) were prepared via co-precipitation method for removal of Pb(II) and Cu(II) from aqueous solutions. Response surface methodology (RSM) was utilized to find the optimum conditions for removal of ions. The effects of three independent variables including initial ion concentration, removal time, and adsorbent dosage were investigated on the maximum adsorption of Pb (II) and Cu (II). The optimum conditions for the adsorption of Pb(II) and Cu(II) were obtained (100 and 60 mg/L) of initial ion concentration, (41.96 and 59.35 s) of removal time and 0.13 g of adsorbent for both ions, respectively. The maximum removal efficiencies of Pb(II) and Cu(II) were obtained 96.25% and 75.54%, respectively. In the equilibrium isotherm study, the adsorption data fitted well with the Langmuir isotherm model. The adsorption kinetics was best depicted by the pseudo-second order model. Desorption experiments showed adsorbent can be reused successfully for three adsorption-desorption cycles.

  5. Rapid Adsorption of Copper(II) and Lead(II) by Rice Straw/Fe3O4 Nanocomposite: Optimization, Equilibrium Isotherms, and Adsorption Kinetics Study

    PubMed Central

    Khandanlou, Roshanak; Ahmad, Mansor B.; Fard Masoumi, Hamid Reza; Shameli, Kamyar; Basri, Mahiran; Kalantari, Katayoon

    2015-01-01

    Rice straw/magnetic nanocomposites (RS/Fe3O4-NCs) were prepared via co-precipitation method for removal of Pb(II) and Cu(II) from aqueous solutions. Response surface methodology (RSM) was utilized to find the optimum conditions for removal of ions. The effects of three independent variables including initial ion concentration, removal time, and adsorbent dosage were investigated on the maximum adsorption of Pb (II) and Cu (II). The optimum conditions for the adsorption of Pb(II) and Cu(II) were obtained (100 and 60 mg/L) of initial ion concentration, (41.96 and 59.35 s) of removal time and 0.13 g of adsorbent for both ions, respectively. The maximum removal efficiencies of Pb(II) and Cu(II) were obtained 96.25% and 75.54%, respectively. In the equilibrium isotherm study, the adsorption data fitted well with the Langmuir isotherm model. The adsorption kinetics was best depicted by the pseudo-second order model. Desorption experiments showed adsorbent can be reused successfully for three adsorption-desorption cycles. PMID:25815470

  6. Obtaining DC and AC isothermal electrical characteristics for RF MOSFET

    NASA Astrophysics Data System (ADS)

    Sahoo, A. K.; Fregonese, S.; Scheer, P.; Celi, D.; Juge, A.; Zimmer, T.

    2015-04-01

    In this paper we demonstrate a new and simple approach to obtain isothermal electrical characteristics of metal oxide field effect transistor (MOSFET) from conventional non-isothermal measurements. DC and continuous wave (CW) S-parameter measurements are performed at different chuck temperatures (Tchuck). Knowing the thermal resistance (RTH) of the device the variation of DC and AC characteristic due to self-heating can be de-embedded and all the isothermal DC data and AC data above isothermal frequency can be determined. The method is validated by comparing the results with pulsed DC and pulsed RF measurements and found to be in good agreements.

  7. Isothermal Titration Calorimetry in the Student Laboratory

    ERIC Educational Resources Information Center

    Wadso, Lars; Li, Yujing; Li, Xi

    2011-01-01

    Isothermal titration calorimetry (ITC) is the measurement of the heat produced by the stepwise addition of one substance to another. It is a common experimental technique, for example, in pharmaceutical science, to measure equilibrium constants and reaction enthalpies. We describe a stirring device and an injection pump that can be used with a…

  8. Conductive heat transfer from an isothermal magma chamber and its application to the measured heat flow distribution from mount hood, Oregon

    USGS Publications Warehouse

    Nathenson, Menuel; Tilling, Robert I.; ,

    1993-01-01

    A steady-state solution for heat transfer from an isothermal, spherical magma chamber, with an imposed regional geothermal gradient far from the chamber, is developed. The extensive published heat-flow data set for Mount Hood, Oregon, is dominated by conductive heat transfer in the deeper parts of most drill holes and provides an ideal application of such a model. Magma-chamber volumes or depths needed to match the distribution of heat-flow data are larger or shallower than those inferred from geologic evidence.

  9. Adsorption of methyl orange from aqueous solution by aminated pumpkin seed powder: Kinetics, isotherms, and thermodynamic studies.

    PubMed

    Subbaiah, Munagapati Venkata; Kim, Dong-Su

    2016-06-01

    Present research discussed the utilization of aminated pumpkin seed powder (APSP) as an adsorbent for methyl orange (MO) removal from aqueous solution. Batch sorption experiments were carried to evaluate the influence of pH, initial dye concentration, contact time, and temperature. The APSP was characterized by using Fourier Transform Infrared Spectroscopy (FTIR) and Scanning Electron Microscopy (SEM). The experimental equilibrium adsorption data were fitted using two two-parameter models (Langmuir and Freundlich) and two three-parameter models (Sips and Toth). Langmuir and Sips isotherms provided the best model for MO adsorption data. The maximum monolayer sorption capacity was found to be 200.3mg/g based on the Langmuir isotherm model. The pseudo-first-order and pseudo-second-order model equations were used to analyze the kinetic data of the adsorption process and the data was fitted well with the pseudo-second-order kinetic model (R(2)>0.97). The calculated thermodynamic parameters such as ΔG(0), ΔH(0) and ΔS(0) from experimental data showed that the sorption of MO onto APSP was feasible, spontaneous and endothermic in the temperature range 298-318 K. The FTIR results revealed that amine and carboxyl functional groups present on the surface of APSP. The SEM results show that APSP has an irregular and porous surface which is adequate morphology for dye adsorption. Desorption experiments were carried to explore the feasibility of adsorbent regeneration and the adsorbed MO from APSP was desorbed using 0.1M NaOH with an efficiency of 93.5%. Findings of the present study indicated that APSP can be successfully used for removal of MO from aqueous solution.

  10. Isothermal separation processes

    NASA Technical Reports Server (NTRS)

    England, C.

    1982-01-01

    The isothermal processes of membrane separation, supercritical extraction and chromatography were examined using availability analysis. The general approach was to derive equations that identified where energy is consumed in these processes and how they compare with conventional separation methods. These separation methods are characterized by pure work inputs, chiefly in the form of a pressure drop which supplies the required energy. Equations were derived for the energy requirement in terms of regular solution theory. This approach is believed to accurately predict the work of separation in terms of the heat of solution and the entropy of mixing. It can form the basis of a convenient calculation method for optimizing membrane and solvent properties for particular applications. Calculations were made on the energy requirements for a membrane process separating air into its components.

  11. Isothermal Amplification of Nucleic Acids.

    PubMed

    Zhao, Yongxi; Chen, Feng; Li, Qian; Wang, Lihua; Fan, Chunhai

    2015-11-25

    Isothermal amplification of nucleic acids is a simple process that rapidly and efficiently accumulates nucleic acid sequences at constant temperature. Since the early 1990s, various isothermal amplification techniques have been developed as alternatives to polymerase chain reaction (PCR). These isothermal amplification methods have been used for biosensing targets such as DNA, RNA, cells, proteins, small molecules, and ions. The applications of these techniques for in situ or intracellular bioimaging and sequencing have been amply demonstrated. Amplicons produced by isothermal amplification methods have also been utilized to construct versatile nucleic acid nanomaterials for promising applications in biomedicine, bioimaging, and biosensing. The integration of isothermal amplification into microsystems or portable devices improves nucleic acid-based on-site assays and confers high sensitivity. Single-cell and single-molecule analyses have also been implemented based on integrated microfluidic systems. In this review, we provide a comprehensive overview of the isothermal amplification of nucleic acids encompassing work published in the past two decades. First, different isothermal amplification techniques are classified into three types based on reaction kinetics. Then, we summarize the applications of isothermal amplification in bioanalysis, diagnostics, nanotechnology, materials science, and device integration. Finally, several challenges and perspectives in the field are discussed.

  12. Isothermal Capacitance Transient Spectroscopy for Determination of Deep Level Parameters

    NASA Astrophysics Data System (ADS)

    Okushi, Hideyo; Tokumaru, Yozo

    1980-06-01

    A new measurement method for deep levels in semiconductors is proposed, by which the measurement of the transient change of capacitance is performed under an isothermal condition (Isothermal Capacitance Transient Spectroscopy). The method allows us to construct a precise measurement and analysis system by a programmable calculator. Computer simulation and experiment by the method in the case of Au-doped Si are demonstrated. It is shown that the method is one of useful tools for spectroscopic analysis of deep levels in semiconductors.

  13. The evaluation of loop-mediated isothermal amplification-quartz crystal microbalance (LAMP-QCM) biosensor as a real-time measurement of HPV16 DNA.

    PubMed

    Jearanaikoon, Patcharee; Prakrankamanant, Preeda; Leelayuwat, Chanvit; Wanram, Surasak; Limpaiboon, Temduang; Promptmas, Chamras

    2016-03-01

    We have previously developed quartz crystal microbalance biosensor integrated with loop-mediated isothermal amplification (LAMP-QCM) for human papillomavirus (HPV) type58 DNA detection. Infection with HPV, particularly HPV16, remains a serious health problem due to its major risk factor contributing to cervical cancer. In the present study, LAMP-QCM biosensor was evaluated in terms of a quantitative assay for copy number of HPV16 DNA in cervical samples compared to quantitative PCR using TaqMan assay (TaqMan-qPCR). The detection limit of LAMP-QCM was found to be 10 fold more sensitive than TaqMan-qPCR with 100% specificity and 7.6% imprecision. Different plot of HPV16 DNA copy number using Bland-Altman analysis revealed 94% correlation between LAMP-QCM and qPCR. We therefore concluded that the developed LAMP-QCM biosensor provides a possible rapid and sensitive assay for HPV16 DNA quantification in a routine laboratory.

  14. Isothermal Multiple Displacement Amplification

    PubMed Central

    Luthra, Rajyalakshmi; Medeiros, L. Jeffrey

    2004-01-01

    Isothermal multiple strand displacement amplification (IMDA) of the whole human genome is a promising method for procuring abundant DNA from valuable and often limited clinical specimens. However, whether DNA generated by this method is of high quality and a faithful replication of the DNA in the original specimen, allowing for subsequent molecular diagnostic testing, requires verification. In this study, we evaluated the suitability of IMDA-generated DNA (IMDA-DNA) for detecting antigen receptor gene rearrangements, chromosomal translocations, and gene mutations using Southern blot analysis, polymerase chain reaction (PCR) methods, or sequencing methods in 28 lymphoma and leukemia clinical specimens. Molecular testing before and after whole genome amplification of these specimens using the IMDA technique showed concordance in 27 of 28 (96%) specimens. Analysis of IMDA-DNA by Southern blot analysis detected restriction fragments >12 kilobases long. No amplification bias was observed at all loci tested demonstrating that this method can be useful in generating large amounts of unbiased, high molecular weight DNA from limited clinical specimens. PMID:15269301

  15. Mercury adsorption-desorption and transport in soils.

    PubMed

    Liao, Lixia; Selim, H M; Delaune, R D

    2009-01-01

    Kinetic sorption and column miscible displacement transport experiments were performed to quantify the extent of retention/release and the mobility of mercury in different soils. Results indicated that adsorption of mercury was rapid and highly nonlinear with sorption capacities having the following sequence: Sharkey clay > Olivier loam > Windsor sand. Mercury adsorption by all soils was strongly irreversible where the amounts released or desorbed were often less than 1% of that applied. Moreover, the removal of soil organic matter resulted in a decrease of mercury adsorption in all soils. Adsorption was described with limited success using a nonlinear (Freundlich) model. Results from the transport experiments indicated that the mobility of mercury was highly retarded, with extremely low concentrations of mercury in column effluents. Furthermore, mercury breakthrough curves exhibited erratic patterns with ill-distinguished peaks. Therefore, mercury is best regarded as strongly retained and highly "immobile" in the soils investigated. This is most likely due to highly stable complex formation (irreversible forms) and strong binding to high-affinity sites. In a column packed with reference sand material, a symmetric breakthrough curve was obtained where the recovery of mercury in the leachate was only 17.3% of that applied. Mercury retention by the reference sand was likely due to adsorption by quartz and metal-oxides.

  16. The Isothermal Dendritic Growth Experiment

    NASA Technical Reports Server (NTRS)

    Glicksman, M. E.; Koss, M. B.; Malarik, D. C.

    1998-01-01

    The growth of dendrites is one of the commonly observed forms of solidification encountered when metals and alloys freeze under low thermal gradients, as occurs in most casting and welding processes. In engineering alloys, the details of the dendritic morphology directly relates to important material responses and properties. Of more generic interest, dendritic growth is also an archetypical problem in morphogenesis, where a complex pattern evolves from simple starting conditions. Thus, the physical understanding and mathematical description of how dendritic patterns emerge during the growth process are of interest to both scientists and engineers. The Isothermal Dendritic Growth Experiment (IDGE) is a basic science experiment designed to measure, for a fundamental test of theory, the kinetics and morphology of dendritic growth without complications induced by gravity-driven convection. The IDGE, a collaboration between Rensselaer Polytechnic Institute, in Troy NY, and NASA's Lewis Research Center (LeRC) was developed over a ten year period from a ground-based research program into a space flight experiment. Important to the success of this flight experiment was provision of in situ near-real-time teleoperations during the spaceflight experiment.

  17. Isothermal blast wave model of supernova remnants

    NASA Technical Reports Server (NTRS)

    Solinger, A.; Buff, J.; Rappaport, S.

    1975-01-01

    The validity of the 'adiabatic' assumption in supernova-remnant calculations is examined, and the alternative extreme of an isothermal blast wave is explored. It is concluded that, because of thermal conductivity, the large temperature gradients predicted by the adiabatic model probably are not maintained in nature. Self-similar solutions to the hydrodynamic equations for an isothermal blast wave have been found and studied. These solutions are then used to determine the relationship between X-ray observations and inferred parameters of supernova remnants. A comparison of the present results with those for the adiabatic model indicates differences which are less than present observational uncertainties. It is concluded that most parameters of supernova remnants inferred from X-ray measurements are relatively insensitive to the specifics of the blast-wave model.

  18. Column Chromatography To Obtain Organic Cation Sorption Isotherms.

    PubMed

    Jolin, William C; Sullivan, James; Vasudevan, Dharni; MacKay, Allison A

    2016-08-02

    Column chromatography was evaluated as a method to obtain organic cation sorption isotherms for environmental solids while using the peak skewness to identify the linear range of the sorption isotherm. Custom packed HPLC columns and standard batch sorption techniques were used to intercompare sorption isotherms and solid-water sorption coefficients (Kd) for four organic cations (benzylamine, 2,4-dichlorobenzylamine, phenyltrimethylammonium, oxytetracycline) with two aluminosilicate clay minerals and one soil. A comparison of Freundlich isotherm parameters revealed isotherm linearity or nonlinearity was not significantly different between column chromatography and traditional batch experiments. Importantly, skewness (a metric of eluting peak symmetry) analysis of eluting peaks can establish isotherm linearity, thereby enabling a less labor intensive means to generate the extensive data sets of linear Kd values required for the development of predictive sorption models. Our findings clearly show that column chromatography can reproduce sorption measures from conventional batch experiments with the benefit of lower labor-intensity, faster analysis times, and allow for consistent sorption measures across laboratories with distinct chromatography instrumentation.

  19. Comparing experimental and simulated pressure-area isotherms for DPPC.

    PubMed

    Duncan, Susan L; Larson, Ronald G

    2008-04-15

    Although pressure-area isotherms are commonly measured for lipid monolayers, it is not always appreciated how much they can vary depending on experimental factors. Here, we compare experimental and simulated pressure-area isotherms for dipalmitoylphosphatidylcholine (DPPC) at temperatures ranging between 293.15 K and 323.15 K, and explore possible factors influencing the shape and position of the isotherms. Molecular dynamics simulations of DPPC monolayers using both coarse-grained (CG) and atomistic models yield results that are in rough agreement with some of the experimental isotherms, but with a steeper slope in the liquid-condensed region than seen experimentally and shifted to larger areas. The CG lipid model gives predictions that are very close to those of atomistic simulations, while greatly improving computational efficiency. There is much more variation among experimental isotherms than between isotherms obtained from CG simulations and from the most refined simulation available. Both atomistic and CG simulations yield liquid-condensed and liquid-expanded phase area compressibility moduli that are significantly larger than those typically measured experimentally, but compare well with some experimental values obtained under rapid compression.

  20. Scaling in Supersonic Isothermal Turbulence

    NASA Astrophysics Data System (ADS)

    Kritsuk, A. G.; Wagner, R.; Norman, M. L.

    2015-10-01

    An exact relation for third-order structure functions in isothermal compressible turbulence (Galtier & Banerjee 2011) is verified using numerical data from a simulation at Mach 6. The analysis supports a Kolmogorov-like cascade phenomenology and yields a reduced version of the relation for high Mach number turbulence.

  1. Isothermal Dendritic Growth Experiment Video

    NASA Technical Reports Server (NTRS)

    1997-01-01

    This video, captured during the Isothermal Dendritic Growth Experiment (IDGE) flown on STS-87 as a part of the fourth United States Microgravity payload, shows the growth of a dendrite, and the surface solidification that occurred on the front and back windows of the growth chamber. Dendrites are tiny, tree like structures that form as metals solidify.

  2. Autocatalysis in isothermal, open systems

    NASA Astrophysics Data System (ADS)

    Gray, P.; Scott, S. K.

    1983-12-01

    In open systems, the prototype autocatalytic reaction A+2X → 3X, X → inert may display complex dependences of the stationary-state extents of conversion on flow-rate or residence time even under isothermal, well-stirred conditions. Sustained oscillations corresponding to stable limit cycles are also found. In this note we answer three questions posed by Escher and Ross in a recent paper and draw analogies between their work and earlier studies of our own. (AIP)

  3. IDGE: Isothermal Dendritic Growth Experiment

    NASA Technical Reports Server (NTRS)

    1994-01-01

    The Isothermal Dendritic Growth Experiment (IDGE) flew on STS-62 to study the microscopic, tree-like structures (dendrites) that form within metals as they solidify from molten materials. The size, shape, and orientation of these dendrites affect the strength and usefulness of metals. Data from this experiment will be used to test and improve the mathematical models that support the industrial production of metals.

  4. A model free method for estimation of complicated adsorption isotherms in liquid chromatography.

    PubMed

    Forssén, Patrik; Fornstedt, Torgny

    2015-08-28

    Here we show that even extremely small variations in the adsorption isotherm can have a tremendous effect on the shape of the overloaded elution profiles and that the earlier in the adsorption isotherms the variation take place, the larger its impact on the shape of the elution profile. These variations are so small that they can be "hidden" by the discretization and in the general experimental noise when using traditional experimental methods, such as frontal analysis, to measure adsorption isotherms. But as the effects of these variations are more clearly visible in the elution profiles, the Inverse Method (IM) of adsorption isotherm estimation is an option. However, IM usually requires that one selects an adsorption isotherm model prior to the estimation process. Here we show that even complicated models might not be able to estimate the adsorption isotherms with multiple inflection points that small variations might give rise to. We therefore developed a modified IM that, instead of fixed adsorption isotherm models, uses monotone piecewise interpolation. We first validated the method with synthetic data and showed that it can be used to estimate an adsorption isotherm, which accurately predicts an extremely "strange" elution profile. For this case it was impossible to estimate the adsorption isotherm using IM with a fixed adsorption model. Finally, we will give an example of a real chromatographic system where adsorption isotherm with inflection points is estimated by the modified IM.

  5. Isolation, identification, Pb(II) biosorption isotherms and kinetics of a lead adsorbing penicillium sp. MRF-1 from South Korean mine soil.

    PubMed

    Velmurugan, Natarajan; Hwang, Grim; Sathishkumar, Muthuswamy; Choi, Tae Kie; Lee, Kui-Jae; Oh, Byung-Taek; Lee, Yang-Soo

    2010-01-01

    A heavy metal contaminated soil sample collected from a mine in Chonnam Province of South Korea was found to be a source of heavy metal adsorbing biosorbents. Chemical analyses showed high contents of lead (Pb) at 357 mg/kg and cyanide (CN) at 14.6 mg/kg in the soil. The experimental results showed that Penicillium sp. MRF-1 was the best lead resistant fungus among the four individual metal tolerant fungal species isolated from the soil. Molecular characterization of Penicillium sp. MRF-1 was determined using ITS regions sequences. Effects of pH, temperature and contact time on adsorption of Pb(II) by Penicillium sp. MRF-1 were studied. Favorable conditions for maximum biosportion were found at pH 4 with 3 hr contact time. Biosorption of Pb(II) gradually increased with increasing temperature. Efficient performance of the biosorbent was described using Langmuir and Freundlich isotherms. Adsorption kinetics was studied using pseudo first-order and pseudo second-order models. Biosorbent Penicillium sp. MRF-1 showed the maximum desorption in alkali conditions. Consistent adsorption/desorption potential of the biosorbent in repetitive cycles validated the efficacy of it in large scale. SEM studies given notes on surface modification of fungal biomass under metal stress and FT-IR results showed the presence of amino groups in the surface structure of the biosorbent. In conclusion, the new biosorbent Penicillium sp. MRF-1 may potentially be used as an inexpensive, easily cultivatable material for the removal of lead from aqueous solution.

  6. Co-modified MCM-41 as an effective adsorbent for levofloxacin removal from aqueous solution: optimization of process parameters, isotherm, and thermodynamic studies.

    PubMed

    Jin, Ting; Yuan, Wenhua; Xue, Yujie; Wei, Hong; Zhang, Chaoying; Li, Kebin

    2016-12-21

    Antibiotics are emerging contaminants due to their potential risks to human health and ecosystems. Poor biodegradability makes it necessary to develop effective physical-chemical methods to eliminate these contaminants from water. The cobalt-modified MCM-41 was prepared by a one-pot hydrothermal method and characterized by SAXRD, N2 adsorption-desorption, SEM, UV-Vis DR, and FTIR spectroscopy. The results revealed that the prepared 3% Co-MCM-41 possessed mesoporous structure with BET surface areas at around 898.5 m(2)g(-1). The adsorption performance of 3% Co-MCM-41 toward levofloxacin (LVF) was investigated by batch experiments. The adsorption of LVF on 3% Co-MCM-41 was very fast and reached equilibrium within 2 h. The adsorption kinetics followed the pseudo-second-order kinetic model with the second-order rate constants in the range of 0.00198-0.00391 g mg(-1) min(-1). The adsorption isotherms could be well represented by the Langmuir, Freundlich, and Dubinin-Radushkevich (D-R) isotherm equations. Nevertheless, D-R isotherm provided the best fit based on the coefficient of determination and average relative error values. The mean free energy of adsorption (E) calculated from D-R model was about 11 kJ mol(-1), indicating that the adsorption was mainly governed by a chemisorption process. Moreover, the adsorption capacity was investigated as a function of pH, adsorbent dosage, LVF concentration, and temperature with help of respond surface methodology (RSM). A quadratic model was established, and an optimal condition was obtained as follows: pH 8.5, adsorbent dosage of 1 g L(-1), initial LVF concentration of 119.8 mg L(-1), and temperature of 31.6 °C. Under the optimal condition, the adsorption capacity of 3% Co-MCM-41 to LVF could reach about 108.1 mg g(-1). The solution pH, adsorbent dosage, LVF concentration, and a combination of adsorbent dose and LVF concentration were significant factors affecting the adsorption process. The adsorption

  7. Computer Modeling of Non-Isothermal Crystallization

    NASA Technical Reports Server (NTRS)

    Kelton, K. F.; Narayan, K. Lakshmi; Levine, L. E.; Cull, T. C.; Ray, C. S.

    1996-01-01

    A realistic computer model for simulating isothermal and non-isothermal phase transformations proceeding by homogeneous and heterogeneous nucleation and interface-limited growth is presented. A new treatment for particle size effects on the crystallization kinetics is developed and is incorporated into the numerical model. Time-dependent nucleation rates, size-dependent growth rates, and surface crystallization are also included. Model predictions are compared with experimental measurements of DSC/DTA peak parameters for the crystallization of lithium disilicate glass as a function of particle size, Pt doping levels, and water content. The quantitative agreement that is demonstrated indicates that the numerical model can be used to extract key kinetic data from easily obtained calorimetric data. The model can also be used to probe nucleation and growth behavior in regimes that are otherwise inaccessible. Based on a fit to data, an earlier prediction that the time-dependent nucleation rate in a DSC/DTA scan can rise above the steady-state value at a temperature higher than the peak in the steady-state rate is demonstrated.

  8. Isothermal Titration Calorimetry of Chiral Polymeric Nanoparticles.

    PubMed

    Werber, Liora; Preiss, Laura C; Landfester, Katharina; Muñoz-Espí, Rafael; Mastai, Yitzhak

    2015-09-01

    Chiral polymeric nanoparticles are of prime importance, mainly due to their enantioselective potential, for many applications such as catalysis and chiral separation in chromatography. In this article we report on the preparation of chiral polymeric nanoparticles by miniemulsion polymerization. In addition, we describe the use of isothermal titration calorimetry (ITC) to measure the chiral interactions and the energetics of the adsorption of enantiomers from aqueous solutions onto chiral polymeric nanoparticles. The characterization of chirality in nano-systems is a very challenging task; here, we demonstrate that ITC can be used to accurately determine the thermodynamic parameters associated with the chiral interactions of nanoparticles. The use of ITC to measure the energetics of chiral interactions and recognition at the surfaces of chiral nanoparticles can be applied to other nanoscale chiral systems and can provide further insight into the chiral discrimination processes of nanomaterials.

  9. Adsorption isotherms of charged nanoparticles.

    PubMed

    Dos Santos, Alexandre P; Bakhshandeh, Amin; Diehl, Alexandre; Levin, Yan

    2016-10-19

    We present theory and simulations which allow us to quantitatively calculate the amount of surface adsorption excess of charged nanoparticles onto a charged surface. The theory is very accurate for weakly charged nanoparticles and can be used at physiological concentrations of salt. We have also developed an efficient simulation algorithm which can be used for dilute suspensions of nanoparticles of any charge, even at very large salt concentrations. With the help of the new simulation method, we are able to efficiently calculate the adsorption isotherms of highly charged nanoparticles in suspensions containing multivalent ions, for which there are no accurate theoretical methods available.

  10. Isothermal calorimetric analysis of lectin-sugar interaction.

    PubMed

    Takeda, Yoichi; Matsuo, Ichiro

    2014-01-01

    Isothermal titration calorimetry (ITC) is a powerful tool for analyzing lectin-glycan interactions because it can measure the binding affinity and thermodynamic properties such as ∆H and ΔS in a single experiment without any chemical modification or immobilization. Here we describe a method for preparing glycan and lectin solution to minimize the buffer mismatch, setting parameters, and performing experiments.

  11. Non-Isothermal effects on Be Disks

    NASA Astrophysics Data System (ADS)

    Vieira, R. G.; Carciofi, A. C.; Bjorkman, J. E.

    2016-11-01

    In the last decade, the viscous decretion disk model has emerged as the new paradigm for Be star disks. In this contribution, we propose a simple analytical model to estimate the continuum infrared excess arising from these circumstellar disks, in the light of the currently accepted scenario. We demonstrate that the disk can be satisfactorily described by a two component system: an inner optically thick region, which we call the pseudo-photosphere, and a diffuse outer part. In particular, a direct connexion between the disk brightness profile and the thermal structure is derived, and then confronted to realistic numerical simulations. This result quantifies how the non-isothermality of the disk ultimately affects both infrared measured fluxes and visibilities.

  12. Isothermal Titration Calorimetry to Characterize Enzymatic Reactions.

    PubMed

    Mazzei, Luca; Ciurli, Stefano; Zambelli, Barbara

    2016-01-01

    Isothermal titration calorimetry (ITC) is a technique that measures the heat released or absorbed during a chemical reaction as an intrinsic probe to characterize any chemical process that involves heat changes spontaneously occurring during the reaction. The general features of this method to determine the kinetic and thermodynamic parameters of enzymatic reactions (kcat, KM, ΔH) are described and discussed here together with some detailed applications to specific cases. ITC does not require any modification or labeling of the system under analysis, can be performed in solution, and needs only small amounts of enzyme. These properties make ITC an invaluable, powerful, and unique tool to extend the knowledge of enzyme kinetics to drug discovery.

  13. Isothermal Dilatometric Study of Sintering in Kaolin

    NASA Astrophysics Data System (ADS)

    Ondruška, Ján; Trník, Anton; Keppert, Martin; Medved', Igor; Vozár, Libor

    2014-10-01

    Solid-state sintering for kaolin samples was studied by dilatometric measurements in the isothermal regime in the temperature range from 600 °C to 1100 °C. The relative expansion was measured for a period of 10h. For the temperatures up to 850 °C, we observed only a small shrinkage (less than 0.5 %), most of which took place within the first 3h of the measurements. For the temperatures above 850 °C, a significant shrinkage occurred for the whole measured time interval and reached up to 2.7 %. Anomalous behavior—a decrease in the shrinkage with the temperature—was observed in the range from 700 °C to 850 °C. The dilatometric measurements are supplemented by porosity distribution measurements. The standard spherical-grains microscopic model was applied to determine that for the initial stages of the sintering process, grain boundary diffusion was the dominant mechanism at lower temperatures (600 °C to 850 °C), whereas lattice diffusion was dominant at higher temperatures (900 °C, 1050 °C, and 1100 °C).

  14. Lunar ash flows - Isothermal approximation.

    NASA Technical Reports Server (NTRS)

    Pai, S. I.; Hsieh, T.; O'Keefe, J. A.

    1972-01-01

    Suggestion of the ash flow mechanism as one of the major processes required to account for some features of lunar soil. First the observational background and the gardening hypothesis are reviewed, and the shortcomings of the gardening hypothesis are shown. Then a general description of the lunar ash flow is given, and a simple mathematical model of the isothermal lunar ash flow is worked out with numerical examples to show the differences between the lunar and the terrestrial ash flow. The important parameters of the ash flow process are isolated and analyzed. It appears that the lunar surface layer in the maria is not a residual mantle rock (regolith) but a series of ash flows due, at least in part, to great meteorite impacts. The possibility of a volcanic contribution is not excluded. Some further analytic research on lunar ash flows is recommended.

  15. Isothermal Circumstellar Dust Shell Model for Teaching

    ERIC Educational Resources Information Center

    Robinson, G.; Towers, I. N.; Jovanoski, Z.

    2009-01-01

    We introduce a model of radiative transfer in circumstellar dust shells. By assuming that the shell is both isothermal and its thickness is small compared to its radius, the model is simple enough for students to grasp and yet still provides a quantitative description of the relevant physical features. The isothermal model can be used in a…

  16. Isothermal transitions of a thermosetting system

    NASA Technical Reports Server (NTRS)

    Gillham, J. K.; Benci, J. A.; Noshay, A.

    1974-01-01

    A study of the curing reactions of a cycloaliphatic epoxy resin/anhydride system by torsional braid analysis showed the existence of two critical isothermal temperatures - namely, the maximum glass transition temperature of the thermoset system and the glass transition temperature of the material at its gel point. Two rheologically active kinetic transitions occur during isothermal cure which correspond to gelation and vitrification. Three types of isothermal behavior occur. Methods for determining the time to gel and the time to vitrify, and also the two above-mentioned critical isothermal temperatures, have been developed. The time to gel obeyed the Arrhenius relationship, whereas the time to vitrify passed through a minimum. Application of these results to thermosetting systems in general is discussed in terms of the influence of molecular structure on the values of the critical isothermal temperatures.

  17. On the calculation of disjoining pressure isotherms for nonaqueous films.

    PubMed

    Correa, Rafael; Saramago, Benilde

    2004-02-15

    A review of the methods of London and Hamaker and of Lifshitz for calculating disjoining pressure isotherms of nonaqueous liquid films is presented. The disjoining pressure isotherms for films of n-octane and of three triglycerides (tributyrin, tricaprylin, and triolein) on glass were calculated using both methods. The disjoining pressure isotherms for films on silanized glass were calculated using only the London-Hamaker approach. The refractive indices and static dielectric constants, necessary for the calculations, were measured. The silanized glass was considered to be the original glass covered by a layer with the same characteristic frequency as the underlying glass and a smaller limiting value of the dielectric constant epsilon(0). The limiting dielectric constant epsilon(0) and the thickness of the surface layer were taken as adjustable parameters. The disjoining pressure isotherms indicate that all films are stable on glass. In contrast, the stability of the films formed on silanized glass was found to depend mainly on the value of epsilon(0) and, less strongly, on the thickness of the surface layer. The stability of the films decreased with the decrease of epsilon(0) and, for each value of epsilon(0), was maximal for the thinnest surface layer.

  18. Characterizing Nitrogen adsorption and desorption isotherms in soils using multifractal analysis

    NASA Astrophysics Data System (ADS)

    Paz Ferreiro, Jorge; Miranda, José G. V.; Vidal Vázquez, Eva

    2010-05-01

    The specific surface area is an attribute known to characterize the soil ability to retain and transport nutrients and water. A number of studies have shown that specific surface area correlates cation exchange capacity, organic matter content, water retention, aggregate stability and clay swelling. In the past fractal theory has been widely used to study different gas adsorption isotherms like water vapour and nitrogen adsorption isotherms. More recently we have shown that nitrogen adsorption isotherms showed multifractal nature. In this work, both N2 adsorption and desorption isotherms measured in a Mollisol were examined as a probability measure using the multifractal formalism in order to determinate its possible multifractal behaviour. Soil samples were collected in two different series of an Argiudoll located in the north of Buenos Aires and in the south of Santa Fe provinces, Argentina. Two treatments of each soil series were sampled at three depths, without replication, resulting in six samples per soil series and a total of twelve samples analyzed. Multifractal analysis was performed using the box counting method. Both, the N2 adsorption and desorption isotherms exhibited a well defined scaling behaviour indicating a fully developed multifractal structure of each isotherm branch. The singularity spectra and Rényi dimension spectra obtained for adsorption and also for desorption isotherms had shapes similar to the spectra of multifractal measures and several parameters were extracted from these spectra. The capacity dimension, D0, for both N2 adsorption and desorption data sets were not significantly different from 1.00. However, nitrogen adsorption and desorption data showed significantly different values of entropy dimension, D1, and correlation dimension, D2. For instance, entropy dimension values extracted from multifractal spectra of adsorption isotherms were on average 0.578 and varied from 0.501 to 0.666. In contrast, the corresponding figures for

  19. ISOTHERMAL AIR INGRESS VALIDATION EXPERIMENTS

    SciTech Connect

    Chang H Oh; Eung S Kim

    2011-09-01

    Idaho National Laboratory carried out air ingress experiments as part of validating computational fluid dynamics (CFD) calculations. An isothermal test loop was designed and set to understand the stratified-flow phenomenon, which is important as the initial air flow into the lower plenum of the very high temperature gas cooled reactor (VHTR) when a large break loss-of-coolant accident occurs. The unique flow characteristics were focused on the VHTR air-ingress accident, in particular, the flow visualization of the stratified flow in the inlet pipe to the vessel lower plenum of the General Atomic’s Gas Turbine-Modular Helium Reactor (GT-MHR). Brine and sucrose were used as heavy fluids, and water was used to represent a light fluid, which mimics a counter current flow due to the density difference between the stimulant fluids. The density ratios were changed between 0.87 and 0.98. This experiment clearly showed that a stratified flow between simulant fluids was established even for very small density differences. The CFD calculations were compared with experimental data. A grid sensitivity study on CFD models was also performed using the Richardson extrapolation and the grid convergence index method for the numerical accuracy of CFD calculations . As a result, the calculated current speed showed very good agreement with the experimental data, indicating that the current CFD methods are suitable for predicting density gradient stratified flow phenomena in the air-ingress accident.

  20. Synthesis of a ruthenium(II) bipyridyl complex coordinated by a functionalized Schiff base ligand: characterization, spectroscopic and isothermal titration calorimetry measurements of M2+ binding and sensing (M2+=Ca2+, Mg2+).

    PubMed

    Dixit, Namrata; Mishra, Lallan; Mustafi, Sourajit M; Chary, Kandala V R; Houjou, Hirohiko

    2009-07-01

    Bis-[methylsalicylidine-4'benzoic acid]-ethylene (LH2) complexed with cis-Ru(bpy)2Cl(2).2H2O provides a complex of composition [Ru(bpy)2L].2NH4PF6 (1), which has been characterized spectroscopically. Its binding behaviour towards Mg2+ and Ca2+ ions is monitored using 1H NMR titration, isothermal titration calorimetry (ITC) and luminescence microscopy. The luminescent ruthenium complex binds Ca2+ in a more selective manner as compared to Mg2+.

  1. ISOFIT - A PROGRAM FOR FITTING SORPTION ISOTHERMS TO EXPERIMENTAL DATA

    EPA Science Inventory

    Isotherm expressions are important for describing the partitioning of contaminants in environmental systems. ISOFIT (ISOtherm FItting Tool) is a software program that fits isotherm parameters to experimental data via the minimization of a weighted sum of squared error (WSSE) obje...

  2. Isothermal densification and metamorphism of new snow

    NASA Astrophysics Data System (ADS)

    Schleef, S.; Loewe, H.; Schneebeli, M.

    2012-12-01

    The interplay between overburden stress and surface energy induced growth and coarsening is relevant for the densification of snow and porous ice at all densities. The densification of new snow is amenable to high precision experiments on short time scales. To this end we investigate the coupling of densification and metamorphism of new snow via time-lapse tomography experiments in the laboratory. We compare the evolution of density, strain, and specific surface area to previous long-time metamorphism experiments of snow and creep of polycrystalline ice. Experimental conditions are tailored to the requirements of time-lapse tomography and the measurements are conducted under nearly isothermal conditions at -20°C with a duration of two days. Images were taken with temporal resolution of a few hours which reveal precise details of the microstructure evolution due to sintering and compaction. We used different crystal shapes of natural new snow and snow samples obtained by sieving crystals grown in a snowmaker in the laboratory. To simulate the effect of overburden stress due to an overlying snowpack additional weights were applied to the sample. As expected we find an influence of the densification rate on initial density and overburden stress. We calculated strain rates and identified a transient creep behavior with a similar power law for all crystal types which substantially differs from the Andrade creep of polycrystalline ice. As a main result we found that the evolution of the specific surface area is independent of the density and follows a unique decay form for all measurements of each crystal type. The accuracy of the measurements allows to obtain a decay exponent for the SSA which is the same as previously obtained from the long-time regime during isothermal metamorphism after several months. Our preliminary results for all available types of new snow suggest a correlation between the initial density and SSA. We also find snow samples which coincide in

  3. [Areas of application of isothermal microcalorimetry in urology: an overview].

    PubMed

    Bonkat, G; Wirz, D; Rieken, M; Gasser, T C; Bachmann, A; Braissant, O

    2013-08-01

    Isothermal microcalorimetry (IMC) is a nonspecific analytical tool for measurement of heat. With sensitivity in the order of 0.2 μW, IMC can detect very small amounts of heat produced by only a small number of microorganisms or eukaryotic cells. This report is intended to introduce IMC to the urological audience and to give an overview about the past, present and future of this cutting edge technology in the urological context.

  4. Multifractal characteristics of Nitrogen adsorption isotherms from tropical soils

    NASA Astrophysics Data System (ADS)

    Vidal Vázquez, Eva; Paz Ferreiro, Jorge

    2010-05-01

    One of the primary methods used to characterize a wide range of porous materials, including soils, are gas adsorption isotherms. An adsorption isotherm is a function relating the amount of adsorbed gas or vapour to the respective equilibrium pressure, during pressure increase at constant temperature. Adsorption data allow easily estimates of specific surface area and also can provide a characterization of pore surface heterogeneity. Most of the properties and the reactivity of soil colloids are influenced by their specific surface area and by parameters describing the surface heterogeneity. For a restricted scale range, linearity between applied pressure and volume of adsorbate holds, which is the basis for current estimations of specific surface area. However, adsorption isotherms contain also non-linear segments of pressure versus volume so that evidence of multifractal scale has been demonstrated. The aim of this study was to analyze the multifractal behaviour of nitrogen adsorption isotherms from a set of tropical soils. Samples were collected form 54 horizons belonging to 19 soil profiles in the state of Minas Gerais, Brazil. The most frequent soil type was Oxisol, according to the Soil Survey Staff, equivalent to Latossolo in the Brazilian soil classification system. Nitrogen adsorption isotherms at standard 77 K were measured using a Thermo Finnigan Sorptomatic 1990 gas sorption analyzer (Thermo Scientific, Waltham, MA). From the raw data a distributions of mass along a support was obtained to perform multifractal analysis. The probability distribution was constructed by dividing the values of the measure in a given segment by the sum of the measure in the whole scale range. The box-counting method was employed to perform multifractal analysis. All the analyzed N2 adsorption isotherms behave like a multifractal system. The singularity spectra, f(α), showed asymmetric concave down parabolic shapes, with a greater tendency toward the left side, where moments

  5. Adsorption Isotherms and Surface Reaction Kinetics

    ERIC Educational Resources Information Center

    Lobo, L. S.; Bernardo, C. A.

    1974-01-01

    Explains an error that occurs in calculating the conditions for a maximum value of a rate expression for a bimolecular reaction. The rate expression is derived using the Langmuir adsorption isotherm to relate gas pressures and corresponding surface coverages. (GS)

  6. Application of isothermal titration calorimetry in bioinorganic chemistry.

    PubMed

    Grossoehme, Nicholas E; Spuches, Anne M; Wilcox, Dean E

    2010-11-01

    The thermodynamics of metals ions binding to proteins and other biological molecules can be measured with isothermal titration calorimetry (ITC), which quantifies the binding enthalpy (ΔH°) and generates a binding isotherm. A fit of the isotherm provides the binding constant (K), thereby allowing the free energy (ΔG°) and ultimately the entropy (ΔS°) of binding to be determined. The temperature dependence of ΔH° can then provide the change in heat capacity (ΔC (p)°) upon binding. However, ITC measurements of metal binding can be compromised by undesired reactions (e.g., precipitation, hydrolysis, and redox), and generally involve competing equilibria with the buffer and protons, which contribute to the experimental values (K (ITC), ΔH (ITC)). Guidelines and factors that need to be considered for ITC measurements involving metal ions are outlined. A general analysis of the experimental ITC values that accounts for the contributions of metal-buffer speciation and proton competition and provides condition-independent thermodynamic values (K, ΔH°) for metal binding is developed and validated.

  7. Unified water isotherms for clayey porous materials

    NASA Astrophysics Data System (ADS)

    Revil, A.; Lu, N.

    2013-09-01

    We provide a unified model for the soil-water retention function, including the effect of bound and capillary waters for all types of soils, including clayey media. The model combines a CEC-normalized isotherm describing the sorption of the bound water (and the filling of the trapped porosity) and the van Genuchten model to describe the capillary water sorption retention but ignore capillary condensation. For the CEC-normalized isotherm, we tested both the BET and Freundlich isotherms, and we found that the Freundlich is more suitable than the BET isotherm in fitting the data. It is also easier to combine the Freundlich isotherm with the van Genuchten model. The new model accounts for (1) the different types of clay minerals, (2) the different types of ions sorbed in the Stern layer and on the basal planes of 2:1 clays, and (3) the pore size distribution. The model is validated with different data sets, including mixtures of kaolinite and bentonite. The model parameters include two exponents (the pore size exponent of the van Genuchten model and the exponent of the Freundlich isotherm), the capillary entry pressure, and two critical water contents. The first critical water content is the water content at saturation (porosity), and the second is the maximum water content associated with adsorption forces, including the trapped nonbound water.

  8. Isotherm charts for material selection and method development with molecularly imprinted polymers and other sorbents.

    PubMed

    Dorkó, Zsanett; Tamás, Barbara; Horvai, George

    2017-01-01

    A simple and efficient method is presented for assessing molecularly imprinted polymers (MIP) and other sorbents from the point of view of practical applications. The adsorption isotherms of the compounds, which need to be separated or detected in an application, are constructed from a small number of measured points on a log-log chart and then are compared graphically. Despite its simplicity and robustness this method reveals the information needed for optimal selection between MIPs and alternative sorbents. The design of separation or detection methods with MIPs is also supported by the proposed graphical isotherm comparison. Many experimental isotherms are presented supporting the proposed method.

  9. Summary report on the evaluation of a 1977--1985 edited sorption data base for isotherm modeling

    SciTech Connect

    Polzer, W.L.; Beckman, R.J.; Fuentes, H.R.; Yong, C.; Chan, P.; Rao, M.G.

    1993-09-01

    Sorption data bases collected by Los Alamos National Laboratory (LANL) from 1977 to 1985 for the Yucca Mountain Project.(YMP) have been inventoried and fitted with isotherm expressions. Effects of variables (e.g., particle size) on the isotherm were also evaluated. The sorption data are from laboratory batch measurements which were not designed specifically for isotherm modeling. However a limited number of data sets permitted such modeling. The analysis of those isotherm data can aid in the design of future sorption experiments and can provide expressions to be used in radionuclide transport modeling. Over 1200 experimental observations were inventoried for their adequacy to be modeled b isotherms and to evaluate the effects of variables on isotherms. About 15% of the observations provided suitable data sets for modeling. The data sets were obtained under conditions that include ambient temperature and two atmospheres, air and CO{sub 2}.

  10. Isothermal thermogravimetric data acquisition analysis system

    NASA Technical Reports Server (NTRS)

    Cooper, Kenneth, Jr.

    1991-01-01

    The description of an Isothermal Thermogravimetric Analysis (TGA) Data Acquisition System is presented. The system consists of software and hardware to perform a wide variety of TGA experiments. The software is written in ANSI C using Borland's Turbo C++. The hardware consists of a 486/25 MHz machine with a Capital Equipment Corp. IEEE488 interface card. The interface is to a Hewlett Packard 3497A data acquisition system using two analog input cards and a digital actuator card. The system provides for 16 TGA rigs with weight and temperature measurements from each rig. Data collection is conducted in three phases. Acquisition is done at a rapid rate during initial startup, at a slower rate during extended data collection periods, and finally at a fast rate during shutdown. Parameters controlling the rate and duration of each phase are user programmable. Furnace control (raising and lowering) is also programmable. Provision is made for automatic restart in the event of power failure or other abnormal terminations. Initial trial runs were conducted to show system stability.

  11. On the irreversibility of the adsorption isotherm in a closed-end pore.

    PubMed

    Nguyen, Phuong T M; Do, D D; Nicholson, D

    2013-03-05

    We present a simulation study of argon adsorption in a closed-end mesopore of uniform diameter in order to investigate the occurrence of hysteresis and propose two principal reasons for its existence: the variation in the shape and radius of curvature of the meniscus and the change in the packing of adsorbate during adsorption and desorption. This interpretation differs from classical theories that neglect both of these factors, and therefore find that adsorption-desorption in a closed-end pore is reversible. A detailed simulation study of the effects of temperature on the microscopic behavior of the adsorbate supports the interpretation proposed here.

  12. Isotherms Reduced from Isentropes and Hugoniots up to Several 100 GPa

    SciTech Connect

    Chijioke, Akobuije D.; Nellis, W. J.; Silvera, Isaac F.

    2006-07-28

    We have derived 300-K isotherms for static pressures as high as 300 GPa for Al, Cu, Ta and W. These isotherms are state-of-the-art equation-of-state (EOS) standards to calibrate the shift of the ruby fluorescence line as a function of pressure in diamond anvil cells (DACs). Recent measurements by Dewaele et al up to pressures of about 150 GPa in DACs motivated derivation of these isotherms. All experimental data used in this analysis were published previously. Hugoniot data are reduced to isotherms using thermal pressures calculated with mean field potential (MFP) theory and, for the first time, corrections were made using measured shock-induced strengths. Because this process has small systematic differences between different metal standards, it is important to obtain pressure by averaging results using many metals. Our purposes are (i) to give a brief description of how Hugoniots are reduced to isotherms and (ii) to articulate quasi-isentropes, Hugoniot data, and material strengths that need to be measured in the future for Al, Cu, Ta, W, Mo, Au, and Pt to improve the accuracies of the isotherms of these metals and to extend them to higher pressures. For calibration purposes, it is important that error bars be reported with such measurements.

  13. Modeling isothermal and non-isothermal flows in porous media

    NASA Astrophysics Data System (ADS)

    Mohseni Languri, Ehsan

    2011-12-01

    solutions obtained after applying the stress-continuity and stress-jump boundary conditions are found to work well at low porosities, which is in contradiction with the results achieved earlier by other researchers. The traditional approach of using averaged equations in the regions of sharp gradients in porous media to describe flow and transport is theoretically untenable and perhaps inaccurate. A novel ensemble averaging method is being proposed to test the accuracy of the volume averaged or smoothed description of flows in porous media in the regions of sharp gradients. In the new method, the flow in a certain arrangement of particles (called a realization) is averaged using a small unit cell, much smaller than the REV. Then such an averaged flow variable is further averaged over a whole gamut of randomly-generated particle realizations. First the accuracy of the ensemble averaging method was tested by comparing the permeability of an artificially generated porous medium obtained by the proposed method against the permeability predicted by some established theoretical models of permeability. The proposed method was found to be quite accurate. Later the ensemble average method was applied to the open-channel porous-medium interface region characterized by a sharp gradient in the flow velocities. It was discovered that the volume averaged description of such flows, characterized by the use of the Brinkman equation along with the stress-continuity and stress-jump conditions, is quite accurate for a range of Reynolds numbers. The non-isothermal transport during flow in porous media is examined next. The main focus in this area of research is the thermal dispersion term found in the heat transfer equation for single- and dual-scale porous media. Most of the previous efforts on modeling the heat transfer phenomena in porous media were devoted to isotropic porous media. However, for the anisotropic porous media widely in many industrial applications, not much research on the

  14. Isothermal and non-isothermal torrefaction characteristics and kinetics of microalga Scenedesmus obliquus CNW-N.

    PubMed

    Chen, Wei-Hsin; Wu, Zih-Ying; Chang, Jo-Shu

    2014-03-01

    Isothermal and non-isothermal torrefaction characteristics and kinetics of microalga Scenedesmus obliquus (S. obliquus) CNW-N are studied using thermogravimetric analysis. The pyrolysis of S. obliquus CNW-N with increasing temperature is characterized by four-stage decomposition. Depending on the torrefaction temperature, light, mild, and severe torrefaction from the weight loss and the maximum decomposition rate of the microalga can be classified. Under the same average temperature and torrefaction duration, non-isothermal torrefaction gives more severe pretreatment than the isothermal one. Increasing the heating rate of non-isothermal torrefaction also intensifies the pretreatment severity. Therefore, microalgae can be torrefied via non-isothermal torrefaction in a shorter time under the same pretreatment extent. The atomic H/C ratio in the microalga decreases with increasing torrefaction severity, whereas the atomic O/C ratio rises. The analysis suggests that the activation energy of isothermal torrefaction is 57.52×10(3)Jmol(-1), while it is between 40.14×10(3) and 88.41×10(3)Jmol(-1) for non-isothermal torrefaction.

  15. Modeling polychlorinated biphenyl sorption isotherms for soot and coal.

    PubMed

    Jantunen, A P K; Koelmans, A A; Jonker, M T O

    2010-08-01

    Sorption isotherms (pg-ng/L) were measured for 11 polychlorinated biphenyls (PCBs) of varying molecular planarity from aqueous solution to two carbonaceous geosorbents, anthracite coal and traffic soot. All isotherms were reasonably log-log-linear, but smooth for traffic soot and staircase-shaped for coal, to which sorption was stronger and more nonlinear. The isotherms were modeled using seven sorption models, including Freundlich, (dual) Langmuir, and Polanyi-Dubinin-Manes (PDM). PDM provided the best combination of reliability and mechanistically-interpretable parameters. The PDM normalizing factor Z appeared to correlate negatively with sorbate molecular volume, dependent on the degree of molecular planarity. The modeling results supported the hypothesis that maximum adsorption capacities (Q(max)) correlate positively with the sorbent's specific surface area. Q(max) did not decrease with increasing sorbate molecular size, and adsorption affinities clearly differed between the sorbents. Sorption was consistently stronger but not less linear for planar than for nonplanar PCBs, suggesting surface rather than pore sorption.

  16. Isothermal solidification in a binary alloy melt

    NASA Technical Reports Server (NTRS)

    Laxmanan, V.

    1988-01-01

    A space shuttle experiment employing the General Purpose (Rocket) Furnace (GPF) in its isothermal mode of operation is manifested on MSL-3, circa 1989. The central aim of this experiment is to investigate the effect of reduced gravity levels on the segregation behavior in a slowly, and isothermally, cooled sample of a binary Pb-15 wt percent Sn alloy. This experiment would thus be able to simulate, in a small laboratory sample, about 20 mm dia 60 mm high and weighing about 150 grams, some aspects of the segregation phenomena occurring in large industrial ingots. Ground-based experiments conducted in the single-cavity simulator of the GPF, located at Marshall Space Flight Center (MSFC), in support of the microgravity experiment are described in detail. The results of the MSFC experiments are compared with other related experiments conducted at Case Western Reserve University (CWRU), wherein the isothermal constraints were relaxed.

  17. An airborne isothermal haze chamber

    NASA Technical Reports Server (NTRS)

    Hindman, E. E.

    1981-01-01

    Thermal gradient diffusion cloud chambers (TGDCC) are used to determine the concentrations of cloud condensation nuclei (CCN) with critical supersaturations greater than or equal to about 0.2%. The CCN concentrations measured with the airborne IHC were lower than theoretically predicted by factors ranging between 7.9 and 9.0. The CCN concentrations measured with the airborne IHC were lower than the concentrations measured with the larger laboratory IHC's by factors ranging between 3.9 and 7.5. The bounds of the supersaturation ranges of the airborne IHC and the CSU-Mee TGDCC do not overlap. Nevertheless, the slopes of the interpolated data between the bounds agree favorably with the theoretical slopes.

  18. A microfabrication-based approach to quantitative isothermal titration calorimetry.

    PubMed

    Wang, Bin; Jia, Yuan; Lin, Qiao

    2016-04-15

    Isothermal titration calorimetry (ITC) directly measures heat evolved in a chemical reaction to determine equilibrium binding properties of biomolecular systems. Conventional ITC instruments are expensive, use complicated design and construction, and require long analysis times. Microfabricated calorimetric devices are promising, although they have yet to allow accurate, quantitative ITC measurements of biochemical reactions. This paper presents a microfabrication-based approach to integrated, quantitative ITC characterization of biomolecular interactions. The approach integrates microfabricated differential calorimetric sensors with microfluidic titration. Biomolecules and reagents are introduced at each of a series of molar ratios, mixed, and allowed to react. The reaction thermal power is differentially measured, and used to determine the thermodynamic profile of the biomolecular interactions. Implemented in a microdevice featuring thermally isolated, well-defined reaction volumes with minimized fluid evaporation as well as highly sensitive thermoelectric sensing, the approach enables accurate and quantitative ITC measurements of protein-ligand interactions under different isothermal conditions. Using the approach, we demonstrate ITC characterization of the binding of 18-Crown-6 with barium chloride, and the binding of ribonuclease A with cytidine 2'-monophosphate within reaction volumes of approximately 0.7 µL and at concentrations down to 2mM. For each binding system, the ITC measurements were completed with considerably reduced analysis times and material consumption, and yielded a complete thermodynamic profile of the molecular interaction in agreement with published data. This demonstrates the potential usefulness of our approach for biomolecular characterization in biomedical applications.

  19. Performance Characteristics of an Isothermal Freeze Valve

    SciTech Connect

    Hailey, A.E.

    2001-08-22

    This document discusses performance characteristics of an isothermal freeze valve. A freeze valve has been specified for draining the DWPF melter at the end of its lifetime. Two freeze valve designs have been evaluated on the Small Cylindrical Melter-2 (SCM-2). In order to size the DWPF freeze valve, the basic principles governing freeze valve behavior need to be identified and understood.

  20. Coronal Loops: Evolving Beyond the Isothermal Approximation

    NASA Astrophysics Data System (ADS)

    Schmelz, J. T.; Cirtain, J. W.; Allen, J. D.

    2002-05-01

    Are coronal loops isothermal? A controversy over this question has arisen recently because different investigators using different techniques have obtained very different answers. Analysis of SOHO-EIT and TRACE data using narrowband filter ratios to obtain temperature maps has produced several key publications that suggest that coronal loops may be isothermal. We have constructed a multi-thermal distribution for several pixels along a relatively isolated coronal loop on the southwest limb of the solar disk using spectral line data from SOHO-CDS taken on 1998 Apr 20. These distributions are clearly inconsistent with isothermal plasma along either the line of sight or the length of the loop, and suggested rather that the temperature increases from the footpoints to the loop top. We speculated originally that these differences could be attributed to pixel size -- CDS pixels are larger, and more `contaminating' material would be expected along the line of sight. To test this idea, we used CDS iron line ratios from our data set to mimic the isothermal results from the narrowband filter instruments. These ratios indicated that the temperature gradient along the loop was flat, despite the fact that a more complete analysis of the same data showed this result to be false! The CDS pixel size was not the cause of the discrepancy; rather, the problem lies with the isothermal approximation used in EIT and TRACE analysis. These results should serve as a strong warning to anyone using this simplistic method to obtain temperature. This warning is echoed on the EIT web page: ``Danger! Enter at your own risk!'' In other words, values for temperature may be found, but they may have nothing to do with physical reality. Solar physics research at the University of Memphis is supported by NASA grant NAG5-9783. This research was funded in part by the NASA/TRACE MODA grant for Montana State University.

  1. Parameterizing sorption isotherms using a hybrid global-local fitting procedure.

    PubMed

    Matott, L Shawn; Singh, Anshuman; Rabideau, Alan J

    2017-03-21

    Predictive modeling of the transport and remediation of groundwater contaminants requires an accurate description of the sorption process, which is usually provided by fitting an isotherm model to site-specific laboratory data. Commonly used calibration procedures, listed in order of increasing sophistication, include: trial-and-error, linearization, non-linear regression, global search, and hybrid global-local search. Given the considerable variability in fitting procedures applied in published isotherm studies, we investigated the importance of algorithm selection through a series of numerical experiments involving 13 previously published sorption datasets. These datasets, considered representative of state-of-the-art for isotherm experiments, had been previously analyzed using trial-and-error, linearization, or non-linear regression methods. The isotherm expressions were re-fit using a 3-stage hybrid global-local search procedure (i.e. global search using particle swarm optimization followed by Powell's derivative free local search method and Gauss-Marquardt-Levenberg non-linear regression). The re-fitted expressions were then compared to previously published fits in terms of the optimized weighted sum of squared residuals (WSSR) fitness function, the final estimated parameters, and the influence on contaminant transport predictions - where easily computed concentration-dependent contaminant retardation factors served as a surrogate measure of likely transport behavior. Results suggest that many of the previously published calibrated isotherm parameter sets were local minima. In some cases, the updated hybrid global-local search yielded order-of-magnitude reductions in the fitness function. In particular, of the candidate isotherms, the Polanyi-type models were most likely to benefit from the use of the hybrid fitting procedure. In some cases, improvements in fitness function were associated with slight (<10%) changes in parameter values, but in other cases

  2. Isotherms for adsorption of cellobiohydrolase I and II from Trichoderma reesei on microcrystalline cellulose

    SciTech Connect

    Medve, J.; Tjerneld, F.; Stahlberg, J.

    1997-04-01

    Adsorption to microcrystalline cellulose (Avicel) of pure cellobiohydrolase I and II (CBH I and CBH II) from Trichoderma reesei has been studied. Adsorption isotherms of the enzymes were measured at 4{degree}C using CBH I and CBH II alone and in reconstituted equimolar mixtures. Several models (Langmuir, Freundlich, Temkin, Jovanovic) were tested to describe the experimental adsorption isotherms. The isotherms did not follow the basic (one site) Langmuir equation that has often been used to describe adsorption isotherms of cellulases; correlation coefficients (R{sup 2}) were only 0.926 and 0.947, for CBH I and II, respectively. The experimental isotherms were best described by a model of Langmuir type with two adsorption sites and by a combined Langmuir-Freundlich model (analogous to the Hill equation); using these models the correlation coefficients were in most cases higher than 0.995. Apparent binding parameters derived from the two sites Langmuir model indicated stronger binding of CBH II compared to CBH I; the distribution coefficients were 20.7 and 3.7 L/g for the two enzymes, respectively. The binding capacity was higher for CBH I than for CBH II. The isotherms when analyzed with the combined model indicated presence of unequal binding sites on cellulose and/or negative cooperativity in the binding of the enzyme molecules. 39 refs., 3 figs., 3 tabs.

  3. Pyrolysis kinetics of coking coal mixed with biomass under non-isothermal and isothermal conditions.

    PubMed

    Jeong, Ha Myung; Seo, Myung Won; Jeong, Sang Mun; Na, Byung Ki; Yoon, Sang Jun; Lee, Jae Goo; Lee, Woon Jae

    2014-03-01

    To investigate the kinetic characteristics of coking coal mixed with biomass during pyrolysis, thermogravimetric (TG) and thermo-balance reactor (TBR) analyses were conducted under non-isothermal and isothermal condition. Yellow poplar as a biomass (B) was mixed with weak coking coal (WC) and hard coking coal (HC), respectively. The calculated activation energies of WC/B blends were higher than those of HC/B blends under non-isothermal and isothermal conditions. The coal/biomass blends show increased reactivity and decreased activation energy with increasing biomass blend ratio, regardless of the coking properties of the coal. The different char structures of the WC/B and HC/B blends were analyzed by BET and SEM.

  4. Isotherm parameters and intraparticle mass transfer kinetics on molecularly imprinted polymers in acetonitrile/buffer mobile phases

    SciTech Connect

    Kim, Hyunjung; Kaczmarski, Krzysztof; Guiochon, Georges A

    2006-03-01

    The equilibrium isotherm and the intraparticle mass transfer kinetics of the enantiomers of the template were investigated on an Fmoc-L-tryptophan (Fmoc-L-Trp) imprinted polymer at different pHs and water concentrations in acetonitrile/aqueous buffer mobile phases. The equilibrium isotherm data were measured using frontal analysis at 25 {+-} 2 C. The adsorption energy distribution was found to be trimodal, with narrow modes. Consistent with this distribution, the adsorption data were modeled using a tri-Langmuir isotherm equation and the best estimates of the isotherm parameters were determined. The intraparticle mass transfer parameters were derived by comparing the profiles of experimental overloaded bands and the profiles calculated using the isotherm model and the lumped pore diffusion (POR) model of chromatography. These results showed that different adsorption and mass transfer mechanisms exist in mobile phases made of acetonitrile/aqueous buffer and of acetonitrile/acetic acid solutions.

  5. Evaluation of surface excess isotherms in liquid chromatography.

    PubMed

    Vajda, Péter; Felinger, Attila; Guiochon, Georges

    2013-05-24

    Methods are proposed to calculate surface excess isotherms and to use them to derive adsorption isotherms in liquid chromatography. The consequences of these methods are discussed. The excess isotherm of isopropyl alcohol from its aqueous solutions on a C18 adsorbent was obtained using the minor disturbance method. The slope of the inflection tangent of the excess isotherm provides the position of the plane separating the adsorbed layer and the bulk phase, from which the adsorption isotherm was derived. At low concentrations of isopropyl alcohol, frontal analysis was used to derive the adsorption isotherm on the same adsorbent using an independent method. The isotherm was thus derived from both frontal analysis data and the minor disturbance method. The results obtained are compared. Our results show that the use of the same concentration unit for the calculation and the representation of the data is the only correct way to calculate the excess isotherms in practical applications of liquid chromatography.

  6. USING ISOTHERMS TO PREDICT GAC'S CAPACITY FOR SYNTHETIC ORGANICS

    EPA Science Inventory

    This investigation involved operating a pilot granular activated carbon (GAC) plant to obtain capacity data under typical field conditions, determining isotherms for selected synthetic organic chemicals, and comparing the capacity predicted by the isotherm data with the pilot-pla...

  7. AIRS Retrieved Temperature Isotherms over Southern Europe

    NASA Technical Reports Server (NTRS)

    2002-01-01

    AIRS Retrieved Temperature Isotherms over Southern Europe viewed from the west, September 8, 2002. The isotherms in this map made from AIRS data show regions of the same temperature in the atmosphere.

    The Atmospheric Infrared Sounder Experiment, with its visible, infrared, and microwave detectors, provides a three-dimensional look at Earth's weather. Working in tandem, the three instruments can make simultaneous observations all the way down to the Earth's surface, even in the presence of heavy clouds. With more than 2,000 channels sensing different regions of the atmosphere, the system creates a global, 3-D map of atmospheric temperature and humidity and provides information on clouds, greenhouse gases, and many other atmospheric phenomena. The AIRS Infrared Sounder Experiment flies onboard NASA's Aqua spacecraft and is managed by NASA's Jet Propulsion Laboratory, Pasadena, Calif., under contract to NASA. JPL is a division of the California Institute of Technology in Pasadena.

  8. Quantifying Shrink Swell Capacity of Soil Using Soil Moisture Isotherms

    NASA Astrophysics Data System (ADS)

    Rivera, L. D.; Cobos, D. R.; Campbell, C. S.; Morgan, C.

    2013-12-01

    Vertisols, soils instinctively known for their expansive clays that cause them to have a high shrink swell potential, cover 2.4% of the earths ice-free land. In the United States these expansive soils can cause upwards of 6 billion in damages to pavements, foundations, and utility lines annually (Brady & Weil, 2010). Because of this, it is especially important that a soils ability to shrink and swell is well characterized when making engineering decisions. One traditional method for measuring a soil's expansive potential, the Coefficient of Linear Extensibility (COLE), can take weeks to months to complete (Grossman et al., 1968; Schafer and Singer, 1976b). Use of soil moisture isotherms, or the Soil Moisture Characteristic Curve (SMCC), in recent research has shown that the slope of the SMCC is related to a soils swelling potential (McKeen, 1992). The goal of this research is to evaluate the robustness of the relationship between the SMCC and COLE for a set of well-characterized test soils with COLE ranging from 0 to 0.176. If expansive potential can be reliably predicted from the SMCC, then data from recently developed automatic soil moisture isotherm generators could be used to characterize expansive potential with a fraction of the time and effort necessary for traditional techniques.

  9. Characterization of protein-protein interactions by isothermal titration calorimetry.

    PubMed

    Velazquez-Campoy, Adrian; Leavitt, Stephanie A; Freire, Ernesto

    2015-01-01

    The analysis of protein-protein interactions has attracted the attention of many researchers from both a fundamental point of view and a practical point of view. From a fundamental point of view, the development of an understanding of the signaling events triggered by the interaction of two or more proteins provides key information to elucidate the functioning of many cell processes. From a practical point of view, understanding protein-protein interactions at a quantitative level provides the foundation for the development of antagonists or agonists of those interactions. Isothermal Titration Calorimetry (ITC) is the only technique with the capability of measuring not only binding affinity but the enthalpic and entropic components that define affinity. Over the years, isothermal titration calorimeters have evolved in sensitivity and accuracy. Today, TA Instruments and MicroCal market instruments with the performance required to evaluate protein-protein interactions. In this methods paper, we describe general procedures to analyze heterodimeric (porcine pancreatic trypsin binding to soybean trypsin inhibitor) and homodimeric (bovine pancreatic α-chymotrypsin) protein associations by ITC.

  10. Competitive ion-exchange adsorption of proteins: competitive isotherms with controlled competitor concentration.

    PubMed

    Cano, Tony; Offringa, Natalie D; Willson, Richard C

    2005-06-24

    The competitive adsorption processes inevitably present in chromatographic separations of complex mixtures have not been extensively studied. This is partly due to the difficulty of measuring true competitive isotherms, in which all system parameters (including competitor concentrations) are held constant. We report a novel approach to determining competitive protein adsorption isotherms in which the competitor concentration is held constant across the entire isotherm. By using the heme prosthetic group in cytochrome b5 as a quantitative spectrophotometric label, competitive isotherms between cytochrome b5 and alpha-lactalbumin can be constructed. Similarly, manganese-substituted protoporphyrin IX heme replacement allows the non-perturbing labeling of individual cytochrome b5 conservative surface charge mutants by replacement of a single atom in the interior of the protein. This labeling allows the study of competition between cytochrome b5 charge mutants of identical size and shape, which differ only in charge arrangement. Using these techniques, the effect of competing species on equilibrium behavior and the apparent heterogeneity of anion-exchange adsorbents in the presence of competitors can be quantitatively studied by fitting the data to two popular single-component binding models, the Temkin and the Langmuir-Freundlich (L-F) isotherms.

  11. Determination of competitive adsorption isotherms applying the nonlinear frequency response method. Part II. Experimental demonstration.

    PubMed

    Ilić, Milica; Petkovska, Menka; Seidel-Morgenstern, Andreas

    2009-08-14

    This paper demonstrates an experimental application of the nonlinear frequency response (FR) method extension to determine adsorption isotherms of binary mixtures. This method, based on the analysis of the response of a chromatographic column subjected to the sinusoidal inlet concentration changes, is shown to be an alternative for isotherm determination. The critical issue related to the successful application of the method is to reach experimentally the low frequency asymptotic behaviour of the corresponding frequency response functions (FRFs). Although, there are different possibilities to perform periodical inlet concentration changes, in this paper only simultaneous changes for both components were considered. The adsorption of phenol and 2-phenylethanol on octadecyl silica was analyzed experimentally using a mixture of methanol and water as a solvent. Parameters of competitive isotherms were also estimated for comparison using the classical perturbation method. Despite certain differences between competitive isotherms estimated with the two methods that were found, the obtained results show the potential of the nonlinear FR method for measuring competitive isotherms.

  12. Isothermal deformation of gamma titanium aluminide

    SciTech Connect

    Srinivasan, R.; Singh, J.P.; Tuval, E.; Weiss, I.

    1996-04-15

    Gamma titanium aluminide has received considerable attention in recent years from the automotive industry as a potential material for making rotating and reciprocating components to produce a quieter and more efficient engine. The objectives of this study were to identify processing routes for the manufacture of automobile valves from gamma titanium aluminide. The issues considered were microstructure and composition of the material, and processing parameters such as deformation rates, temperatures, and total deformation. This paper examines isothermal deformation of gamma titanium aluminide in order to develop a processing window for this type of material.

  13. Determining enzyme kinetics via isothermal titration calorimetry.

    PubMed

    Demarse, Neil A; Killian, Marie C; Hansen, Lee D; Quinn, Colette F

    2013-01-01

    Isothermal titration calorimetry (ITC) has emerged as a powerful tool for determining the thermodynamic properties of chemical or physical equilibria such as protein-protein, ligand-receptor, and protein-DNA binding interactions. The utility of ITC for determining kinetic information, however, has not been fully recognized. Methods for collecting and analyzing data on enzyme kinetics are discussed here. The step-by-step process of converting the raw heat output rate into the kinetic parameters of the Michaelis-Menten equation is explicitly stated. The hydrolysis of sucrose by invertase is used to demonstrate the capability of the instrument and method.

  14. Adsorption-desorption reactions of selenium (VI) in tropical cultivated and uncultivated soils under Cerrado biome.

    PubMed

    Lessa, J H L; Araujo, A M; Silva, G N T; Guilherme, L R G; Lopes, G

    2016-12-01

    Soil management may affect selenium (Se) adsorption capacity. This study investigated adsorption and desorption of Se (VI) in selected Brazilian soils from the Cerrado biome, an area of ever increasing importance for agriculture expansion in Brazil. Soil samples were collected from cultivated and uncultivated soils, comprising clayed and sandy soils. Following chemical and mineralogical characterization, soil samples were subjected to Se adsorption and desorption tests. Adsorption was evaluated after a 72-h reaction with increasing concentrations of Se (0-2000 μg L(-1)) added as Na2SeO4 in a NaCl electrolyte solution (pH 5.5; ionic strength 15 mmol L(-1)). Desorption, as well as distribution coefficients (Kd) for selenate were also assessed. Soil management affected Se adsorption capacity, i.e., Se adsorbed amounts were higher for uncultivated soils, when compared to cultivated ones. Such results were also supported by data of Kd and maximum adsorption capacity of Se. This fact was attributed mainly to the presence of greater amounts of competing anions, especially phosphate, in cultivated soils, due to fertilizer application. Phosphate may compete with selenate for adsorption sites, decreasing Se retention. For the same group of soils (cultivated and uncultivated), Se adsorption was greater in the clayed soils compared to sandy ones. Our results support the idea that adding Se (VI) to the soil is a good strategy to increase Se levels in food crops (agronomic biofortification), especially when crops are grown in soils that have been cultivated over the time due to their low Se adsorption capacity (high Se availability).

  15. Adsorption, desorption and bioregeneration in the treatment of 2-chlorophenol with activated carbon.

    PubMed

    Aktaş, Ozgür; Ceçen, Ferhan

    2007-03-22

    This study aims to clarify the effect of activated carbon type on the extent of adsorbability, desorbability, and bioregenerability in the treatment of 2-chlorophenol. Four different activated carbon types; thermally activated and chemically activated powdered carbons (PAC), and their granular countertypes (GAC) with similar physical characteristics were used. Thermally activated carbons adsorbed 2-chlorophenol much better than chemically activated ones. However, adsorption was more reversible in the case of chemically activated ones. The use of powdered and granular activated carbon countertypes resulted in comparable adsorption and desorption characteristics. For each activated carbon type, 2-chlorophenol exhibited higher adsorbability and lower desorbability than phenol. Biodegradation of 2-chlorophenol took place very slowly when it was used as the sole carbon source in acclimated and non-acclimated activated sludges. Bioregeneration occurred only via desorption due to an initial concentration gradient and no further desorption took place due to low biodegradability. Bioregeneration of activated carbon loaded with 2-chlorophenol was not a suitable option when 2-chlorophenol was the only carbon source. It is suggested to remove 2-chlorophenol via adsorption onto activated carbon rather than applying biological treatment. Also in such cases, the use of thermally activated carbons with higher adsorption and lower desorption capacities is recommended rather than chemically activated carbons.

  16. ADSORPTION/DESORPTION HYSTERESIS IN ORGANIC POLLUTANT AND SOIL/SEDIMENT INTERACTION. (R825513C015)

    EPA Science Inventory

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

  17. Adsorption, desorption, soil mobility and aqueous persistence of fensulfothion and its sulfide and sulfone metabolites

    SciTech Connect

    Miles, J.R.; Bowman, B.T.; Harris, C.R.

    1981-01-01

    Soil/water interactions with the insecticide fensulfothion and its sulfide and sulfone metabolites and described. Adsorption to, and desorption from four soils were studied. There was a general inverse relationship between water solubilities of the three chemicals and their adsorption K values. Order of adsorption was f. sulfide greater than f. sulfone greater than fensulfothion. Adsorption K values correlated significantly with soil organic content. Desorption of fensulfothion and the sulfone were similar whereas the less soluble sulfide desorbed to a lesser extent. To facilitate comparison of desorption tendencies of the three compounds of desorption index was developed. Mobilities through the soils were directly related to the water solubilities of the three chemicals. Mobilities in decreasing order were - fensulfothion greater than f. sulfone greater than f. sulfide. Persistence of fensulfothion was similar in both sterile and non-sterile natural water - about 50% remaining at the end of the 16 wk experiment. Under reducing conditions fensulfothion disappeared from water in 8-12 wk with almost complete conversion to the sulfide.

  18. Role of cell wall deconstructing enzymes in the proanthocyanidin-cell wall adsorption-desorption phenomena.

    PubMed

    Castro-López, Liliana del Rocío; Gómez-Plaza, Encarna; Ortega-Regules, Ana; Lozada, Daniel; Bautista-Ortín, Ana Belén

    2016-04-01

    The transference of proanthocyanidins from grapes to wine is quite low. This could be due, among other causes, to proanthocyanidins being bound to grape cell wall polysaccharides, which are present in high concentrations in the must. Therefore, the effective extraction of proanthocyanidins from grapes will depend on the ability to disrupt these associations, and, in this respect, enzymes that degrade these polysaccharides could play an important role. The main objective of this work was to test the behavior of proanthocyanidin-cell wall interactions when commercial maceration enzymes are present in the solution. The results showed that cell wall polysaccharides adsorbed a high amount of proanthocyanidins and only a limited quantity of proanthocyanidins could be desorbed from the cell walls after washing with a model solution. The presence of enzymes in the solution reduced the proanthocyanidin-cell wall interaction, probably through the elimination of pectins from the cell wall network.

  19. Response properties in the adsorption-desorption model on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Šćepanović, J. R.; Stojiljković, D.; Jakšić, Z. M.; Budinski-Petković, Lj.; Vrhovac, S. B.

    2016-06-01

    The out-of-equilibrium dynamical processes during the reversible random sequential adsorption (RSA) of objects of various shapes on a two-dimensional triangular lattice are studied numerically by means of Monte Carlo simulations. We focused on the influence of the order of symmetry axis of the shape on the response of the reversible RSA model to sudden perturbations of the desorption probability Pd. We provide a detailed discussion of the significance of collective events for governing the time coverage behavior of shapes with different rotational symmetries. We calculate the two-time density-density correlation function C(t ,tw) for various waiting times tw and show that longer memory of the initial state persists for the more symmetrical shapes. Our model displays nonequilibrium dynamical effects such as aging. We find that the correlation function C(t ,tw) for all objects scales as a function of single variable ln(tw) / ln(t) . We also study the short-term memory effects in two-component mixtures of extended objects and give a detailed analysis of the contribution to the densification kinetics coming from each mixture component. We observe the weakening of correlation features for the deposition processes in multicomponent systems.

  20. Adsorption-Desorption Flow of Condensable Vapors through Mesoporous Media: Network Modeling and Percolation Theory.

    PubMed

    Tzevelekos; Kikkinides; Kainourgiakis; Stubos; Kanellopoulos; Kaselouri

    2000-03-01

    Flow of condensable vapors in mesoporous media is investigated theoretically and experimentally during adsorption and desorption processes. A typical permeability curve of a condensable vapor is strongly enhanced in the capillary condensation region. This is because additional capillary pressure gradients are imposed on the capillary-condensed pores, which act as "good" conductors compared to the noncondensed pores, which are considered "poor" conductors. The percolation scaling properties that hold for a system of "good" and "poor" conductors are confirmed for the cases examined. As the ratio of gas flow/capillary-enhanced flow decreases, the rise of permeability with pressure becomes sharper. The network connectivity has a strong impact on the maximum permeability value and on the width of the scaling law regions. The contribution of surface flow does not affect the permeability in the peak region, but results in a shrinkage of the scaling law regions. During desorption, a marked hysteresis in the permeability curves is found and it is attributed only to thermodynamic hysteresis. The maximum permeability values in this case are higher and shifted to lower relative pressures. Copyright 2000 Academic Press.

  1. Phase diagram and adsorption-desorption kinetics of CO on Ru(0001) from first principles.

    PubMed

    McEwen, J-S; Eichler, A

    2007-03-07

    A kinetic lattice gas model is used to study the equilibrium properties and the desorption kinetics of CO on Ru(0001). The authors compute all relevant on-site binding and interaction energies of CO molecules within density functional theory and import them in two different models. The first model allows the CO molecules to adsorb upright on top and hollow sites. The authors calculate the phase diagram, coverage isobars, and temperature programed desorption spectra. Up to a coverage of 1/3 ML, very good agreement is obtained between theory and experiment when considering top sites only. For coverages beyond 1/3 ML, hollow sites are included and disagreement between theory and experiment occurs. The second model allows adsorption on top sites only but allows them to tilt and shift from their upright positions. The authors show that this model resolves many of the deficiencies of their first one. Furthermore, the authors demonstrate that this model is more consistent with experiment since it is the only model that is able to explain the results from IR-spectroscopy experiments.

  2. Molecular dynamics simulation of lysozyme adsorption/desorption on hydrophobic surfaces.

    PubMed

    Wei, Tao; Carignano, Marcelo A; Szleifer, Igal

    2012-08-30

    In this work, we present a series of fully atomistic molecular dynamics (MD) simulations to study lysozyme's orientation-dependent adsorption on polyethylene (PE) surface in explicit water. The simulations show that depending on the orientation of the initial approach to the surface the protein may adsorb or bounce from the surface. The protein may completely leave the surface or reorient and approach the surface resulting in adsorption. The success of the trajectory to adsorb on the surface is the result of different competing interactions, including protein-surface interactions and the hydration of the protein and the hydrophobic PE surface. The difference in the hydration of various protein sites affects the protein's orientation-dependent behavior. Side-on orientation is most likely to result in adsorption as the protein-surface exhibits the strongest attraction. However, adsorption can also happen when lysozyme's longest axis is tilted on the surface if the protein-surface interaction is large enough to overcome the energy barrier that results from dehydrating both the protein and the surface. Our study demonstrates the significant role of dehydration process on hydrophobic surface during protein adsorption.

  3. Adsorption/desorption of phosphorus on limestone from the Biscayne Aquifer under freshwater and seawater conditions.

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Areas of seawater intrusion are known geochemically active regions particularly in limestone aquifers, where carbonate mineral dissolution and ion exchange reactions are important. Both of these processes can lead to a release of phosphorus from the aquifer matrix to the groundwater as seawater int...

  4. XRMON-SOL: Isothermal equiaxed solidification of a grain refined Al-20 wt%Cu alloy

    NASA Astrophysics Data System (ADS)

    Murphy, A. G.; Mathiesen, R. H.; Houltz, Y.; Li, J.; Lockowandt, C.; Henriksson, K.; Zimmermann, G.; Melville, N.; Browne, D. J.

    2016-04-01

    A novel isothermal solidification furnace (XRMON-SOL) has been developed for operation under terrestrial and microgravity conditions, using aluminium-based alloys, in conjunction with real-time in situ X-radiography. The furnace is scheduled to fly on board the MASER 13 Sounding Rocket with a view to investigating isothermal equiaxed solidification under microgravity conditions. The present work provides details of the furnace design as well as detailed analysis of pre-flight terrestrial solidification experiments investigating nucleation and growth characteristics of a thin sample of grain refined Al-20 wt%Cu alloy isothermally solidified at a constant cooling rate of -0.05 K/s. Measurements of nucleation density, nucleation undercooling, grain orientation, grain envelope evolution, primary tip growth velocities, and equiaxed grain interactions are provided. Although the effects of gravity were minimised by choice of sample orientation, we show that such effects can only be eliminated in a microgravity environment.

  5. A Simple Rate Law Experiment Using a Custom-Built Isothermal Heat Conduction Calorimeter

    ERIC Educational Resources Information Center

    Wadso, Lars; Li, Xi.

    2008-01-01

    Most processes (whether physical, chemical, or biological) produce or consume heat: measuring thermal power (the heat production rate) is therefore a typical method of studying processes. Here we describe the design of a simple isothermal heat conduction calorimeter built for use in teaching; we also provide an example of its use in simultaneously…

  6. Numerical Model for Isothermal and Non-Isothermal Crystallization of Liquids and Glasses

    NASA Technical Reports Server (NTRS)

    Kelton, K. F.

    1993-01-01

    A new numerical model of isothermal and non-isothermal first order phase transformations, such as the crystallization of liquids and glasses, is presented. This model computes directly the volume fraction transformed, taking into account time-dependent nucleation rates and cluster-size-dependent growth velocities. The model is applied to the crystallization of lithium disilicate glass, using the appropriate kinetic and thermodynamic parameters. The model is used (1) to determine the validity of common methods for computing the volume fraction transformed as a function of time in isothermal experiments when a time-dependent nucleation rate is expected, (2) to simulate non-isothermal differential scanning calorimetry (DSC) studies of glass devitrification as a function of scan rate, and (3) to compute the effect of preannealing on the DSC peak parameters. A novel behavior of the nucleation rate with scan rate is predicted, arising because the relaxation of the cluster distribution cannot be described by a single relaxation time. Comparisons of the calculations with experimental data on this glass demonstrate the validity of the model.

  7. Isothermal deformation of gamma titanium aluminide

    SciTech Connect

    Singh, J.P.; Tuval, E.; Weiss, I.; Srinivasan, R.

    1995-12-31

    Gamma titanium aluminide alloys are under consideration for automotive applications. In order to develop cost effective deformation processing technologies, limits of formability under different processing conditions need to be established. Alloys with compositions of Ti-(46.5-48)Al-2Nb-2Cr (a/o) prepared by different processing routes were used in this study. The grain sizes in these materials were in the range of 3 to 10,000 {micro}m. Isothermal processing parameters such as strain rate, temperature, and total strain were varied in order to establish processing windows for uniform deformation of the different alloys. During isothermal forming, there exists a critical strain rate of 1{sup {minus}1} below which deformation occurred without the formation of macroscopic cracks. The lowest temperature for uniform deformation is influenced by the grain size and the final strain. The flow behavior of the different materials tested were typical of a material undergoing dynamic recrystallization. Microscopic examination revealed no micro-cracks and fine recrystallized grains in the deformed specimens.

  8. Isothermal Analysis of the Crystallization Kinetics in Lithium Disilicate Glass using Trans Temp Furnace

    NASA Technical Reports Server (NTRS)

    Fuss, T.; Ray, C. S.; Day, D. E.

    2006-01-01

    Crystallization kinetics for lithium disilicate, Li2O2SiO2, (LS2) glass has been studied extensively by nonisothermal methods, but only a few studies on the isothermal crystallization kinetics of LS2 are available. In the present research, isothermal crystallization experiments or the LS2 glass were conducted in a Trans Temp furnace between 600 and 635 C, and selected properties such as the activation energy for crystallization (E), crystal growth index or Avrami parameter (n), the concentration of quenched-in nuclei in the starting glass (Ni) and the crystal nucleation rate (I) were measured. The crystal nucleation rate (I) was measured at only one selected temperature of 452 C, at this time. This commercial furnace has a 13 cm long isothermal heating zone (+/- 1 C) that allows precise heat treatment of relatively large samples. By placing a thermocouple within approx. 2 mm of the sample, it was possible to detect the heat of crystallization in the form of an isothermal crystallization exotherm during isothermal heat treatment of the sample. The values of E (318 plus or minus 10 kJ/mol), n (3.6 plus or minus 0.l), and N(sub i) (1.6 x 10(exp l2) m(sup -3)) calculated by analyzing these isotherms using the standard Johnson-Mehl-Avrami (JMA) equation were reproducible and in agreement with the literature values. The value of I, 1.9 x 10(exp 10) m(sup -3) s(sup -1) at 452 C, is an order of magnitude higher than the reported value for LS2.

  9. Hydrogen isotherms for LaNi(sub 4.6)M(sub .04)alloys where M=Group 4A elements

    NASA Technical Reports Server (NTRS)

    Luo, S.; Flanagan, T. B.; Bowman, R. C., Jr.

    2000-01-01

    Hydrogen isotherms have been measured for activated LaNi(sub 4.6)M(sub 0.4) alloys from 300 K to 473 K or 493 K, where M= Si, Ge, Sn. Thermodynamic parameters have been obtained from the isotherms using van't Hoff plots for hydride decomposition.

  10. Statistical Design in Isothermal Aging of Polyimide Resins

    NASA Technical Reports Server (NTRS)

    Sutter, James K.; Jobe, Marcus; Crane, Elizabeth A.

    1995-01-01

    Recent developments in research on polyimides for high temperature applications have led to the synthesis of many new polymers. Among the criteria that determines their thermal oxidative stability, isothermal aging is one of the most important. Isothermal aging studies require that many experimental factors are controlled to provide accurate results. In this article we describe a statistical plan that compares the isothermal stability of several polyimide resins, while minimizing the variations inherent in high-temperature aging studies.

  11. Water Sorption Isotherms of Surfactants: A Tool To Evaluate Humectancy.

    PubMed

    Asmus, Elisabeth; Popp, Christian; Friedmann, Adrian A; Arand, Katja; Riederer, Markus

    2016-07-06

    Fundamental experimental data for moisture absorption of non-ionic polydisperse surfactants with differing ethylene oxide (EO) content and variable aliphatic portions were measured at relative humidities between 0 and 95% at 25 °C. Remarkable differences in moisture absorption were observed between surfactant classes but also within one series of surfactants differing in either EO content or the long-chain aliphatic fraction. Both the EO units as well as the entire molecular structure, including also the lipophilic domain, were discussed to account for the humectant activity of surfactants. Water sorption isotherms showed an exponential shape, which was argued to be associated with the formation of a "free" water domain. These humectant properties might be relevant to the behavior of a foliar-applied spray droplet of agrochemical formulation products because the uptake of active ingredients will be enhanced as a result of deferred crystal precipitation.

  12. Monitoring RNA-ligand interactions using isothermal titration calorimetry.

    PubMed

    Gilbert, Sunny D; Batey, Robert T

    2009-01-01

    Isothermal titration calorimetry (ITC) is a biophysical technique that measures the heat evolved or absorbed during a reaction to report the enthalpy, entropy, stoichiometry of binding, and equilibrium association constant. A significant advantage of ITC over other methods is that it can be readily applied to almost any RNA-ligand complex without having to label either molecule and can be performed under a broad range of pH, temperature, and ionic concentrations. During our application of ITC to investigate the thermodynamic details of the interaction of a variety of compounds with the purine riboswitch, we have explored and optimized experimental parameters that yield the most useful and reproducible results for RNAs. In this chapter, we detail this method using the titration of an adenine-binding RNA with 2,6-diaminopurine (DAP) as a practical example. Our insights should be generally applicable to observing the interactions of a broad range of molecules with structured RNAs.

  13. Capillarity in isothermal infiltration of alumina fiber preforms with aluminum

    SciTech Connect

    Michaud, V.J.; Mortensen, A. . Dept. of Materials Science); Compton, L.M. )

    1994-10-01

    Models derived in petroleum engineering and soil science for flow of two immiscible fluids in a porous medium are extended to the infiltration of ceramic preforms by a liquid metal. SAFFIL alumina fiber preforms are infiltrated with an aluminum matrix in a series of interrupted unidirectional and isothermal experiments at various low applied pressures, to measure profiles of the volume fraction of metal along the length of the preforms. Comparison of experimental data with theory reveals the existence of a pressure-dependent incubation time for wetting of the alumina preforms by molten aluminum at 973 K. If this incubation time is taken into account, experimental curves of metal distribution are well predicted by theory, confirming the validity of the models after initiation of flow.

  14. Isothermal titration calorimetry of ion-coupled membrane transporters.

    PubMed

    Boudker, Olga; Oh, SeCheol

    2015-04-01

    Binding of ligands, ranging from proteins to ions, to membrane proteins is associated with absorption or release of heat that can be detected by isothermal titration calorimetry (ITC). Such measurements not only provide binding affinities but also afford direct access to thermodynamic parameters of binding--enthalpy, entropy and heat capacity. These parameters can be interpreted in a structural context, allow discrimination between different binding mechanisms and guide drug design. In this review, we introduce advantages and limitations of ITC as a methodology to study molecular interactions of membrane proteins. We further describe case studies where ITC was used to analyze thermodynamic linkage between ions and substrates in ion-coupled transporters. Similar type of linkage analysis will likely be applicable to a wide range of transporters, channels, and receptors.

  15. A family of lowered isothermal models

    NASA Astrophysics Data System (ADS)

    Gieles, Mark; Zocchi, Alice

    2015-11-01

    We present a family of self-consistent, spherical, lowered isothermal models, consisting of one or more mass components, with parametrized prescriptions for the energy truncation and for the amount of radially biased pressure anisotropy. The models are particularly suited to describe the phase-space density of stars in tidally limited, mass-segregated star clusters in all stages of their life-cycle. The models extend a family of isotropic, single-mass models by Gomez-Leyton and Velazquez, of which the well-known Woolley, King and Wilson (in the non-rotating and isotropic limit) models are members. We derive analytic expressions for the density and velocity dispersion components in terms of potential and radius, and introduce a fast model solver in PYTHON (LIMEPY), that can be used for data fitting or for generating discrete samples.

  16. Isothermal Decomposition of Hydrogen Peroxide Dihydrate

    NASA Technical Reports Server (NTRS)

    Loeffler, M. J.; Baragiola, R. A.

    2011-01-01

    We present a new method of growing pure solid hydrogen peroxide in an ultra high vacuum environment and apply it to determine thermal stability of the dihydrate compound that forms when water and hydrogen peroxide are mixed at low temperatures. Using infrared spectroscopy and thermogravimetric analysis, we quantified the isothermal decomposition of the metastable dihydrate at 151.6 K. This decomposition occurs by fractional distillation through the preferential sublimation of water, which leads to the formation of pure hydrogen peroxide. The results imply that in an astronomical environment where condensed mixtures of H2O2 and H2O are shielded from radiolytic decomposition and warmed to temperatures where sublimation is significant, highly concentrated or even pure hydrogen peroxide may form.

  17. Isothermal Dendritic Growth Experiment - SCN Dendrites

    NASA Technical Reports Server (NTRS)

    1995-01-01

    The Isothermal Dendritic Growth Experiment (IDGE), flown on three Space Shuttle missions, is yielding new insights into virtually all industrially relevant metal and alloy forming operations. IDGE used transparent organic liquids that form dendrites (treelike structures) similar to the crystals that form inside metal alloys. Comparing Earth-based and space-based dentrite growth velocity, tip size and shape provid a better understanding of the fundamentals of dentritic growth, including gravity's effects. These shadowgraphic images show succinonitrile (SCN) dentrites growing in a melt (liquid). The space-grown crystals also have cleaner, better defined sidebranches. IDGE was developed by Rensselaer Polytechnic Institude (RPI) and NASA/ Glenn Research Center(GRC). Advanced follow-on experiments are being developed for flight on the International Space Station. Photo gredit: NASA/Glenn Research Center

  18. Isothermal aging of three polyurethane elastomers

    SciTech Connect

    Guess, T.R.

    1996-05-01

    Two polyurethane systems, EN-7 and L-100, have a long history as encapsulants and coatings in Sandia programs. These materials contain significant amounts of toluene diisocyanate (TDI), a suspect human carcinogen. As part of efforts to reduce the use of hazardous materials in the workplace, PET-90A, a polyurethane with less than 0.1% free TDI, was identified as a candidate for new applications and as a replacement for the more hazardous polyurethanes in selected programs. This report documents the results of a two-year accelerated aging study of PET-90A, EN-7, and L-100 polyurethane elastomers to characterize the effect of 135{degrees}F isothermal aging on selected physical, electrical, mechanical and thermal properties. In general, there was very little change in properties over the two year period for the three elastomers. The largest changes occurred in EN-7, which is the polyurethane with the longest service history in Sandia applications.

  19. Isothermal vapour flow in extremely dry soils

    NASA Astrophysics Data System (ADS)

    Todman, L. C.; Ireson, A. M.; Butler, A. P.; Templeton, M. R.

    2012-04-01

    In dry soils hydraulic connectivity within the liquid water phase decreases and vapour flow becomes a significant transport mechanism for water. The temperature or solute concentration of the liquid phase affects the vapour pressure of the surrounding air, thus temperature or solute gradients can drive vapour flows. However, in extremely dry soils where water is retained by adsorptive forces rather than capillarity, vapour flows can also occur. In such soils tiny changes in water content significantly affect the equilibrium vapour pressure in the soil, and hence small differences in water content can initiate vapour pressure gradients. In many field conditions this effect may be negligible compared to vapour flows driven by other factors. However, flows of this type are particularly significant in a new type of subsurface irrigation system which uses pervaporation, via a polymer tubing, as the mechanism for water supply. In this system, water enters the soil in vapour phase. Experiments were performed in laboratory conditions using marine sand that had previously been oven dried and cooled. This dry sand was used to represent the desert conditions in which this irrigation system is intended for use. Experimental results show that isothermal vapour flows can significantly affect the performance of such irrigation systems due to the rapid transport of water through the soil via the vapour phase. When the irrigation pipe was buried at a depth of 10cm a vapour flow from the soil surface was observed in less than 2 hours. These flows therefore affect the loss of mass into the atmosphere and thus must be considered when evaluating the availability of water for the irrigated crop. The experiments also provide a rare opportunity to observe isothermal vapour flows initiating from a subsurface source. Such experiments allow the significance of these flows to be quantified and potentially applied to other areas of arid zone hydrology.

  20. ANALYTICAL SOLUTIONS OF SINGULAR ISOTHERMAL QUADRUPOLE LENS

    SciTech Connect

    Chu Zhe; Lin, W. P.; Yang Xiaofeng E-mail: linwp@shao.ac.cn

    2013-06-20

    Using an analytical method, we study the singular isothermal quadrupole (SIQ) lens system, which is the simplest lens model that can produce four images. In this case, the radial mass distribution is in accord with the profile of the singular isothermal sphere lens, and the tangential distribution is given by adding a quadrupole on the monopole component. The basic properties of the SIQ lens have been studied in this Letter, including the deflection potential, deflection angle, magnification, critical curve, caustic, pseudo-caustic, and transition locus. Analytical solutions of the image positions and magnifications for the source on axes are derived. We find that naked cusps will appear when the relative intensity k of quadrupole to monopole is larger than 0.6. According to the magnification invariant theory of the SIQ lens, the sum of the signed magnifications of the four images should be equal to unity, as found by Dalal. However, if a source lies in the naked cusp, the summed magnification of the left three images is smaller than the invariant 1. With this simple lens system, we study the situations where a point source infinitely approaches a cusp or a fold. The sum of the magnifications of the cusp image triplet is usually not equal to 0, and it is usually positive for major cusps while negative for minor cusps. Similarly, the sum of magnifications of the fold image pair is usually not equal to 0 either. Nevertheless, the cusp and fold relations are still equal to 0 in that the sum values are divided by infinite absolute magnifications by definition.

  1. The density variance-Mach number relation in isothermal and non-isothermal adiabatic turbulence

    NASA Astrophysics Data System (ADS)

    Nolan, C. A.; Federrath, C.; Sutherland, R. S.

    2015-08-01

    The density variance-Mach number relation of the turbulent interstellar medium is relevant for theoretical models of the star formation rate, efficiency, and the initial mass function of stars. Here we use high-resolution hydrodynamical simulations with grid resolutions of up to 10243 cells to model compressible turbulence in a regime similar to the observed interstellar medium. We use FYRIS ALPHA, a shock-capturing code employing a high-order Godunov scheme to track large density variations induced by shocks. We investigate the robustness of the standard relation between the logarithmic density variance (σ _s^2) and the sonic Mach number M of isothermal interstellar turbulence, in the non-isothermal regime. Specifically, we test ideal gases with diatomic molecular (γ = 7/5) and monatomic (γ = 5/3) adiabatic indices. A periodic cube of gas is stirred with purely solenoidal forcing at low wavenumbers, leading to a fully developed turbulent medium. We find that as the gas heats in adiabatic compressions, it evolves along the relationship in the density variance-Mach number plane, but deviates significantly from the standard expression for isothermal gases. Our main result is a new density variance-Mach number relation that takes the adiabatic index into account: σ _s^2=ln (1+b^2 M^{(5γ +1)/3}) and provides good fits for b M≲ 1. A theoretical model based on the Rankine-Hugoniot shock jump conditions is derived, σ _s^2 = ln {1 + (γ +1)b^2{M}^2/[(γ -1)b^2{M}^2+2]}, and provides good fits also for b M>1. We conclude that this new relation for adiabatic turbulence may introduce important corrections to the standard relation, if the gas is not isothermal (γ ≠ 1).

  2. Comparison of micellar isotherms of benzene determined by headspace gas chromatography and micellar electrokinetic chromatography. Assessment on impact of buffer and solubilization-induced conductivity change.

    PubMed

    Liu, Siyuan; Davis, Joe M

    2007-04-13

    The possibility is discussed that micellar isotherms determined by vacancy-micellar electrokinetic chromatography (vacancy-MEKC) differ from isotherms in electrolyte-free surfactants due to thermodynamic effects of buffer. Also discussed is the possibility that they are biased at high solute concentrations by solubilization-induced changes of electrical conductivity. Such bias could invalidate a theory on peak asymmetry of neutral solutes in MEKC that is based on thermodynamic interpretation of the isotherms. To evaluate these possibilities, the nonlinear concave upward isotherm of benzene in a pH 7.0, 0.0060 M sodium phosphate buffer containing 50 mM sodium dodecyl sulfate (SDS) was measured by headspace gas chromatography. Of interest is the finding that benzene is more stable in the surfactant-free buffer than in water. The isotherm was compared to that previously measured by vacancy-MEKC in the same buffer and 10, 30, or 50 mM SDS. No difference was found between the isotherms. However, the isotherm indeed differed from that of benzene in buffer-free 50 mM SDS, which was also determined and agreed favorably with previous results. A partial explanation is given for the independence of the vacancy-MEKC isotherm of solubilization-induced conductivity changes.

  3. Metal-Oxygen-Hydrogen Solid System of Controlled Composition

    NASA Astrophysics Data System (ADS)

    Ostrovskii, Victore E.

    The process of fine-crystal CuO reduction by successive small portions of H2 was studied through isothermal calorimetric, kinetic, adsorption-desorption, and stoichiometric measurements at 293-520 K and H2 pressures up to 100 Pa under conditions when equilibrium within the solid was achieved at any instant. The CuO studied was in the form of the component of the CuO-ZnO-Al2O3 system. The stoichiometry of the copper component reduced corresponded to Cu4.OH2.

  4. Financial Statement Audit Report of Isothermal Community College.

    ERIC Educational Resources Information Center

    Campbell, Ralph

    This report presents the results of the Isothermal Community College financial statement audit for the fiscal year ending on June 30, 1998. Isothermal Community College is a component of the State of North Carolina, thus the authority to audit is granted by Article 5A of G.S. 147. The accounts and operations of the institution were subject to…

  5. Isothermal vapor-liquid equilibria for methanol + ethanol + water, methanol + water, and ethanol + water

    SciTech Connect

    Kurihara, Kiyofumi; Takeda, Kouichi; Kojima, Kazuo; Minoura, Tsuyoshi

    1995-05-01

    Isothermal vapor-liquid equilibria were measured for the ternary system methanol + ethanol + water and its constituent binary systems of methanol + water and ethanol + water at 323.15, 328.15, and 333.15 K. The apparatus that was used made it possible to control the measured temperature and total pressure by computer. The experimental binary data were correlated by the NRTL equation. The ternary system was predicted using the binary NRTL parameters with good accuracy.

  6. Localized single molecule isotherms of DNA molecules at confined liquid-solid interfaces.

    PubMed

    Liang, Heng; Cheng, Xiaoliang; Ma, Yinfa

    2009-03-15

    The study of dynamics and thermodynamics of single biological molecules at confined liquid-solid interfaces is crucially important, especially in the case of low-copy number molecules in a single cell. Using a high-throughput single molecule imaging system and Lagrangian coordinates of single molecule images, we discovered that the local equilibrium isotherms of single lambdaDNA molecules at a confined liquid-solid interface varied from a stair type for the regions of single or double molecular DNA to a mild "S" type for the regions of triple molecular DNA spots, which does not agree with the conventional equilibrium isotherms in the literature. Single molecule images in time sequence for different lambdaDNA concentrations were statistically analyzed by measuring preferential partitioning from shearing effects, which were used to measure the local velocity of DNA molecules by directly observing the migration of DNA fluorescence spots for the 12 continuous images. The local linear velocity of hydrodynamic flow was calculated by the Hagen-Poiseuille equation in different microregions with a local Lagrangian approach. The local single molecule isotherms for the tracked molecules in the regions of single, double, or triple molecular DNA layers within the laminar flows were obtained according to the average local velocities of both the stochastic molecule events and the corresponding local Poiseuille flows. A millisecond and microvolume approach to directly determine local single molecule isotherms at confined liquid-solid interfaces was established, and the microspace scale effects on the types of isotherms were discovered. This study may have significant impact on preparations of low-copy number proteins in a single cell, membrane separations, and other bioseparation studies.

  7. Analysis of the variation of the 0°C isothermal altitude during rainfall events

    NASA Astrophysics Data System (ADS)

    Zeimetz, Fränz; Garcìa, Javier; Schaefli, Bettina; Schleiss, Anton J.

    2016-04-01

    In numerous countries of the world (USA, Canada, Sweden, Switzerland,…), the dam safety verifications for extreme floods are realized by referring to the so called Probable Maximum Flood (PMF). According to the World Meteorological Organization (WMO), this PMF is determined based on the PMP (Probable Maximum Precipitation). The PMF estimation is performed with a hydrological simulation model by routing the PMP. The PMP-PMF simulation is normally event based; therefore, if no further information is known, the simulation needs assumptions concerning the initial soil conditions such as saturation or snow cover. In addition, temperature series are also of interest for the PMP-PMF simulations. Temperature values can not only be deduced from temperature measurement but also using the temperature gradient method, the 0°C isothermal altitude can lead to temperature estimations on the ground. For practitioners, the usage of the isothermal altitude for referring to temperature is convenient and simpler because one value can give information over a large region under the assumption of a certain temperature gradient. The analysis of the evolution of the 0°C isothermal altitude during rainfall events is aimed here and based on meteorological soundings from the two sounding stations Payerne (CH) and Milan (I). Furthermore, hourly rainfall and temperature data are available from 110 pluviometers spread over the Swiss territory. The analysis of the evolution of the 0°C isothermal altitude is undertaken for different precipitation durations based on the meteorological measurements mentioned above. The results show that on average, the isothermal altitude tends to decrease during the rainfall events and that a correlation between the duration of the altitude loss and the duration of the rainfall exists. A significant difference in altitude loss is appearing when the soundings from Payerne and Milan are compared.

  8. Assessment of suitability of some chosen functions for describing of sorption isotherms in building materials

    NASA Astrophysics Data System (ADS)

    Stolarska, Agata; Garbalińska, Halina

    2016-10-01

    This paper presents results of tests and studies conducted on six common building materials, used for constructing and finishing of external walls. These included: ceramic brick, silicate brick, autoclaved aerated concrete, cement mortar, cement-lime mortar and cement mortar modified with polypropylene fibers. Each of these materials is distinguished by the other structure of porousness, affecting both the course of sorption processes and the isotherms obtained. At first, measurements of moisture sorption kinetics at temperatures of 5, 20 and 35 °C were performed, each time at six levels of relative humidity. Then, when the sorption processes expired, equilibrium moisture sorption values were determined for the materials in 18 individual temperature and humidity conditions. The experimental data were used to determine the sorption isotherm courses for each material at the three temperatures. Then, theoretical analysis was performed in order to determine, which of the models available in the literature described the sorption isotherms of the concerned building materials the best. For each material and each of the three temperature values, twenty-four equations were tested. In each case, those of them were identified which ensured the best matching between the theoretical courses and the experimental data. The obtained results indicate that the Chen's model proved to be the most versatile. It ensured a detailed description of the sorption isotherms for each material and temperature tested.

  9. 0°C isotherm height distribution for Earth-space communication satellite links in Nigeria

    NASA Astrophysics Data System (ADS)

    Ojo, J. S.; Falodun, S. E.; Odiba, O.

    2014-06-01

    For an optimum performance of Earth-space satellite communication links, a number of meteorological parameters are needed to be considered along the Earth-space path for specific locations and the height of the 0°C isotherm (freezing level height) is among such parameters. Information regarding this parameter is always based on the recommendation of ITU-RP-839 in the form of contour maps. Since the meteorological parameters are location dependent, there is a need for the establishment of these parameters for specific locations. In addition, ITU-R model uses an yearly averaged constant rain height for the attenuation estimation, which may not be appropriate for tropical regions. In the present paper, the 0°C isotherm (ZDI) height has been established using two years of data collected on-board the precipitation radar of the Tropical Rain Measuring Mission (TRMM) satellite. The result shows the seasonal dependence of the 0°C isotherm height. It is observed, among other things, that the height is higher during the wet season as compared to the dry season. Rain induced attenuation at frequencies above 10 GHz is also estimated using the 0°C isotherm height derived for each of the locations over the elevation angle of the NIGCOMSAT-1R in Nigeria.

  10. Hierarchical flower-like Co3-xFexO4 ferrite hollow spheres: facile synthesis and catalysis in the degradation of methylene blue

    NASA Astrophysics Data System (ADS)

    Hao, Jinhui; Yang, Wenshu; Zhang, Zhe; Pan, Shunhao; Lu, Baoping; Ke, Xi; Zhang, Bailin; Tang, Jilin

    2013-03-01

    A facile method is proposed for the synthesis of three-dimensional (3D) flower-like Co3-xFexO4 ferrite (CF) hollow spheres, using SiO2@FeOOH as precursor. The CF hollow spheres are efficient for the catalytic degradation of methylene blue (MB) in the presence of H2O2 at 80 °C. The obtained CF hollow spheres were characterized using transmission electron microscopy, field emission scanning electron microscopy, X-ray diffraction, X-ray photo-electron spectroscopy, and N2 adsorption-desorption isotherm measurements. The formation of 3D hierarchical flower-like superstructure was influenced by the relative amount of urea used. As the mole ratio of CoCl2 and urea decreased, the structure of the products was tailored from yolk-like spheres to hollow spheres with different sized void interiors. Moreover, N2 adsorption-desorption isotherm analysis showed that the CF hollow spheres have a large specific surface area (163 m2 g-1) which provided more activity sites. The CF hollow spheres can catalyze the oxidation of MB efficiently. These results indicate that the designed CF hollow spheres exhibit promising capability for the degradation of dyes.A facile method is proposed for the synthesis of three-dimensional (3D) flower-like Co3-xFexO4 ferrite (CF) hollow spheres, using SiO2@FeOOH as precursor. The CF hollow spheres are efficient for the catalytic degradation of methylene blue (MB) in the presence of H2O2 at 80 °C. The obtained CF hollow spheres were characterized using transmission electron microscopy, field emission scanning electron microscopy, X-ray diffraction, X-ray photo-electron spectroscopy, and N2 adsorption-desorption isotherm measurements. The formation of 3D hierarchical flower-like superstructure was influenced by the relative amount of urea used. As the mole ratio of CoCl2 and urea decreased, the structure of the products was tailored from yolk-like spheres to hollow spheres with different sized void interiors. Moreover, N2 adsorption-desorption isotherm

  11. Adsorption isotherm special study. Final report

    SciTech Connect

    1993-05-01

    The study was designed to identify methods to determine adsorption applicable to Uranium Mill Tailings Remedial Action (UMTRA) Project sites, and to determine how changes in aquifer conditions affect metal adsorption, resulting retardation factors, and estimated contaminant migration rates. EPA and ASTM procedures were used to estimate sediment sorption of U, As, and Mo under varying groundwater geochemical conditions. Aquifer matrix materials from three distinct locations at the DOE UMTRA Project site in Rifle, CO, were used as the adsorbents under different pH conditions; these conditions stimulated geochemical environments under the tailings, near the tailings, and downgradient from the tailings. Grain size, total surface area, bulk and clay mineralogy, and petrography of the sediments were characterized. U and Mo yielded linear isotherms, while As had nonlinear ones. U and Mo were adsorbed strongly on sediments acidified to levels similar to tailings leachate. Changes in pH had much less effect on As adsorption. Mo was adsorbed very little at pH 7-7.3, U was weakly sorbed, and As was moderately sorbed. Velocities were estimated for metal transport at different pHs. Results show that the aquifer materials must be characterized to estimate metal transport velocities in aquifers and to develop groundwater restoration strategies for the UMTRA project.

  12. Non-isothermal 3D SDPD Simulations

    NASA Astrophysics Data System (ADS)

    Yang, Jun; Potami, Raffaele; Gatsonis, Nikolaos

    2012-11-01

    The study of fluids at micro and nanoscale requires new modeling and computational approaches. Smooth Particle Dissipative Dynamics (SDPD) is a mesh-free method that provides a bridge between the continuum equations of hydrodynamics embedded in the Smooth Particle Hydrodynamics approach and the molecular nature embedded in the DPD approach. SDPD is thermodynamically consistent, does not rely on arbitrary coefficients for its thermostat, involves realistic transport coefficients, and includes fluctuation terms. SDPD is implemented in our work for arbitrary 3D geometries with a methodology to model solid wall boundary conditions. We present simulations for isothermal flows for verification of our approach. The entropy equation is implemented with a velocity-entropy Verlet integration algorithm Flows with heat transfer are simulated for verification of the SDPD. We present also the self-diffusion coefficient derived from SDPD simulations for gases and liquids. Results show the scale dependence of self-diffusion coefficient on SDPD particle size. Computational Mathematics Program of the Air Force Office of Scientific Research under grant/contract number FA9550-06-1-0236.

  13. Non-isothermal decomposition kinetics of diosgenin

    NASA Astrophysics Data System (ADS)

    Chen, Fei-xiong; Fu, Li; Feng, Lu; Liu, Chuo-chuo; Ren, Bao-zeng

    2013-10-01

    The thermal stability and kinetics of isothermal decomposition of diosgenin were studied by thermogravimetry (TG) and Differential Scanning Calorimeter (DSC). The activation energy of the thermal decomposition process was determined from the analysis of TG curves by the methods of Flynn-Wall-Ozawa, Doyle, Šatava-Šesták and Kissinger, respectively. The mechanism of thermal decomposition was determined to be Avrami-Erofeev equation ( n = 1/3, n is the reaction order) with integral form G(α) = [-ln(1 - α)]1/3 (α = 0.10-0.80). E a and log A [s-1] were determined to be 44.10 kJ mol-1 and 3.12, respectively. Moreover, the thermodynamics properties of Δ H ≠, Δ S ≠, and Δ G ≠ of this reaction were 38.18 kJ mol-1, -199.76 J mol-1 K-1, and 164.36 kJ mol-1 in the stage of thermal decomposition.

  14. Isothermal Dendritic Growth Experiment - PVA Dendrites

    NASA Technical Reports Server (NTRS)

    1997-01-01

    The Isothermal Dendritic Growth Experiment (IDGE), flown on three Space Shuttle missions, is yielding new insights into virtually all industrially relevant metal and alloy forming operations. IDGE used transparent organic liquids that form dendrites (treelike structures) similar to those inside metal alloys. Comparing Earth-based and space-based dendrite growth velocity, tip size and shape provides a better understanding of the fundamentals of dentritic growth, including gravity's effects. Shalowgraphic images of pivalic acid (PVA) dendrites forming from the melt show the subtle but distinct effects of gravity-driven heat convection on dentritic growth. In orbit, the dendrite grows as its latent heat is liberated by heat conduction. This yields a blunt dendrite tip. On Earth, heat is carried away by both conduction and gravity-driven convection. This yields a sharper dendrite tip. In addition, under terrestrial conditions, the sidebranches growing in the direction of gravity are augmented as gravity helps carry heat out of the way of the growing sidebranches as opposed to microgravity conditions where no augmentation takes place. IDGE was developed by Rensselaer Polytechnic Institute and NASA/Glenn Research Center. Advanced follow-on experiments are being developed for flight on the International Space Station. Photo Credit: NASA/Glenn Research Center

  15. Mapping glycoside hydrolase substrate subsites by isothermal titration calorimetry

    PubMed Central

    Zolotnitsky, Gennady; Cogan, Uri; Adir, Noam; Solomon, Vered; Shoham, Gil; Shoham, Yuval

    2004-01-01

    Relating thermodynamic parameters to structural and biochemical data allows a better understanding of substrate binding and its contribution to catalysis. The analysis of the binding of carbohydrates to proteins or enzymes is a special challenge because of the multiple interactions and forces involved. Isothermal titration calorimetry (ITC) provides a direct measure of binding enthalpy (ΔHa) and allows the determination of the binding constant (free energy), entropy, and stoichiometry. In this study, we used ITC to elucidate the binding thermodynamics of xylosaccharides for two xylanases of family 10 isolated from Geobacillus stearothermophilus T-6. The change in the heat capacity of binding (ΔCp = ΔH/ΔT) for xylosaccharides differing in one sugar unit was determined by using ITC measurements at different temperatures. Because hydrophobic stacking interactions are associated with negative ΔCp, the data allow us to predict the substrate binding preference in the binding subsites based on the crystal structure of the enzyme. The proposed positional binding preference was consistent with mutants lacking aromatic binding residues at different subsites and was also supported by tryptophan fluorescence analysis. PMID:15277671

  16. Isothermal anisotropic magnetoresistance in antiferromagnetic metallic IrMn

    NASA Astrophysics Data System (ADS)

    Galceran, R.; Fina, I.; Cisneros-Fernández, J.; Bozzo, B.; Frontera, C.; López-Mir, L.; Deniz, H.; Park, K.-W.; Park, B.-G.; Balcells, Ll.; Martí, X.; Jungwirth, T.; Martínez, B.

    2016-10-01

    Antiferromagnetic spintronics is an emerging field; antiferromagnets can improve the functionalities of ferromagnets with higher response times, and having the information shielded against external magnetic field. Moreover, a large list of aniferromagnetic semiconductors and metals with Néel temperatures above room temperature exists. In the present manuscript, we persevere in the quest for the limits of how large can anisotropic magnetoresistance be in antiferromagnetic materials with very large spin-orbit coupling. We selected IrMn as a prime example of first-class moment (Mn) and spin-orbit (Ir) combination. Isothermal magnetotransport measurements in an antiferromagnetic-metal(IrMn)/ferromagnetic-insulator thin film bilayer have been performed. The metal/insulator structure with magnetic coupling between both layers allows the measurement of the modulation of the transport properties exclusively in the antiferromagnetic layer. Anisotropic magnetoresistance as large as 0.15% has been found, which is much larger than that for a bare IrMn layer. Interestingly, it has been observed that anisotropic magnetoresistance is strongly influenced by the field cooling conditions, signaling the dependence of the found response on the formation of domains at the magnetic ordering temperature.

  17. Isothermal microcalorimetry provides new insight into terrestrial carbon cycling.

    PubMed

    Herrmann, Anke M; Coucheney, Elsa; Nunan, Naoise

    2014-04-15

    Energy is continuously transformed in environmental systems through the metabolic activities of living organisms, but little is known about the relationship between the two. In this study, we tested the hypothesis that microbial energetics are controlled by microbial community composition in terrestrial ecosystems. We determined the functional diversity profiles of the soil biota (i.e., multiple substrate-induced respiration and microbial energetics) in soils from an arable ecosystem with contrasting long-term management regimes (54 years). These two functional profiling methods were then related to the soils' microbial community composition. Using isothermal microcalorimetry, we show that direct measures of energetics provide a functional link between energy flows and the composition of below-ground microbial communities at a high taxonomic level (Mantel R = 0.4602, P = 0.006). In contrast, this link was not apparent when carbon dioxide (CO2) was used as an aggregate measure of microbial metabolism (Mantel R = 0.2291, P = 0.11). Our work advocates that the microbial energetics approach provides complementary information to soil respiration for investigating the involvement of microbial communities in below-ground carbon dynamics. Empirical data of our proposed microbial energetics approach can feed into carbon-climate based ecosystem feedback modeling with the suggested conceptual ecological model as a base.

  18. Isothermal anisotropic magnetoresistance in antiferromagnetic metallic IrMn

    PubMed Central

    Galceran, R.; Fina, I.; Cisneros-Fernández, J.; Bozzo, B.; Frontera, C.; López-Mir, L.; Deniz, H.; Park, K.-W.; Park, B.-G.; Balcells, Ll.; Martí, X.; Jungwirth, T.; Martínez, B.

    2016-01-01

    Antiferromagnetic spintronics is an emerging field; antiferromagnets can improve the functionalities of ferromagnets with higher response times, and having the information shielded against external magnetic field. Moreover, a large list of aniferromagnetic semiconductors and metals with Néel temperatures above room temperature exists. In the present manuscript, we persevere in the quest for the limits of how large can anisotropic magnetoresistance be in antiferromagnetic materials with very large spin-orbit coupling. We selected IrMn as a prime example of first-class moment (Mn) and spin-orbit (Ir) combination. Isothermal magnetotransport measurements in an antiferromagnetic-metal(IrMn)/ferromagnetic-insulator thin film bilayer have been performed. The metal/insulator structure with magnetic coupling between both layers allows the measurement of the modulation of the transport properties exclusively in the antiferromagnetic layer. Anisotropic magnetoresistance as large as 0.15% has been found, which is much larger than that for a bare IrMn layer. Interestingly, it has been observed that anisotropic magnetoresistance is strongly influenced by the field cooling conditions, signaling the dependence of the found response on the formation of domains at the magnetic ordering temperature. PMID:27762278

  19. Isothermal and Reactive Turbulent Jets in Cross-Flow

    NASA Astrophysics Data System (ADS)

    Gutmark, Ephraim; Bush, Scott; Ibrahim, Irene

    2004-11-01

    Jets in cross flow have numerous applications including vertical/short takeoff/landing (V/STOL) aircraft, cooling jets for gas turbine blades and combustion air supply inlets in gas turbine engine. The properties exhibited by these jets are dictated by complex three dimensional turbulence structures which form due to the interaction of the jet with the freestream. The isothermal tests are conducted in a wind tunnel measuring the characteristics of air jets injected perpendicular into an otherwise undisturbed air stream. Different nozzle exit geometries of the air jets were tested including circular, triangular and elongated configurations. Jets are injected in single and paired combinations with other jets to measure the effect of mutual interaction on the parameters mentioned. Quantitative velocity fields are obtained using PIV. The data obtained allows the extraction of flow parameters such as jet structure, penetration and mixing. The reacting tests include separate and combined jets of fuel/air mixture utilized to explore the stabilization of combustion at various operating conditions. Different geometrical configurations of transverse jets are tested to determine the shape and combination of jets that will optimize the jets ability to successfully stabilize a flame.

  20. Hot biological catalysis: isothermal titration calorimetry to characterize enzymatic reactions.

    PubMed

    Mazzei, Luca; Ciurli, Stefano; Zambelli, Barbara

    2014-04-04

    Isothermal titration calorimetry (ITC) is a well-described technique that measures the heat released or absorbed during a chemical reaction, using it as an intrinsic probe to characterize virtually every chemical process. Nowadays, this technique is extensively applied to determine thermodynamic parameters of biomolecular binding equilibria. In addition, ITC has been demonstrated to be able of directly measuring kinetics and thermodynamic parameters (kcat, KM, ΔH) of enzymatic reactions, even though this application is still underexploited. As heat changes spontaneously occur during enzymatic catalysis, ITC does not require any modification or labeling of the system under analysis and can be performed in solution. Moreover, the method needs little amount of material. These properties make ITC an invaluable, powerful and unique tool to study enzyme kinetics in several applications, such as, for example, drug discovery. In this work an experimental ITC-based method to quantify kinetics and thermodynamics of enzymatic reactions is thoroughly described. This method is applied to determine kcat and KM of the enzymatic hydrolysis of urea by Canavalia ensiformis (jack bean) urease. Calculation of intrinsic molar enthalpy (ΔHint) of the reaction is performed. The values thus obtained are consistent with previous data reported in literature, demonstrating the reliability of the methodology.

  1. Characterization of membrane protein interactions by isothermal titration calorimetry.

    PubMed

    Situ, Alan J; Schmidt, Thomas; Mazumder, Parichita; Ulmer, Tobias S

    2014-10-23

    Understanding the structure, folding, and interaction of membrane proteins requires experimental tools to quantify the association of transmembrane (TM) helices. Here, we introduce isothermal titration calorimetry (ITC) to measure integrin αIIbβ3 TM complex affinity, to study the consequences of helix-helix preorientation in lipid bilayers, and to examine protein-induced lipid reorganization. Phospholipid bicelles served as membrane mimics. The association of αIIbβ3 proceeded with a free energy change of -4.61±0.04kcal/mol at bicelle conditions where the sampling of random helix-helix orientations leads to complex formation. At bicelle conditions that approach a true bilayer structure in effect, an entropy saving of >1kcal/mol was obtained from helix-helix preorientation. The magnitudes of enthalpy and entropy changes increased distinctly with bicelle dimensions, indicating long-range changes in bicelle lipid properties upon αIIbβ3 TM association. NMR spectroscopy confirmed ITC affinity measurements and revealed αIIbβ3 association and dissociation rates of 4500±100s(-1) and 2.1±0.1s(-1), respectively. Thus, ITC is able to provide comprehensive insight into the interaction of membrane proteins.

  2. Polymorphs of 1,1-diamino-2,2-dinitroethene (FOX-7): Isothermal compression versus isobaric heating

    NASA Astrophysics Data System (ADS)

    Dreger, Z. A.; Tao, Y.; Gupta, Y. M.

    2013-10-01

    Raman spectroscopy was used to examine polymorphic changes in 1,1-diamino-2,2-dinitroethene (FOX-7) single crystals under: isothermal compression to 15 GPa and isobaric heating to 500 K. Changes in the Raman spectra were observed at ˜2.0 and ˜4.5 GPa, and at ˜390 K and ˜450 K. These onsets are in general accord with previously reported onsets from IR measurements under isothermal compression and from X-ray diffraction measurements under isobaric heating, respectively. In contrast to recent suggestions, we show that the high pressure polymorphs have different vibrational structures, and likely different crystal structures, than the high temperature polymorphs.

  3. Modeling non-isothermal heat inactivation of microorganisms having biphasic isothermal survival curves.

    PubMed

    Corradini, Maria G; Normand, Mark D; Peleg, Micha

    2007-05-30

    Biphasic isothermal inactivation constitutes a special case of non-linear mortality kinetics. It can be modeled with a primary model that contains an 'If' statement and three temperature dependent survival parameters: the first and second logarithmic inactivation rate constants and the time of the transition from one phase to the other. The temperature dependence of the two inactivation rates of Salmonella enteritidis and that of the transition time determined from published data could be described by empirical logistic terms. These were used to construct an inactivation rate equation for non-isothermal heating and cooling regimes. The resulting differential equation, despite having an 'If' statement in its formulation, could be easily solved numerically for simple as well elaborate temperature profiles. The solutions for a variety of realistic heat treatment histories indicated that when the heating or cooling rate is high enough, the biphasic character of the inactivation disappears. This is true regardless of whether the rate at the first phase is higher than at the second, the most common scenario, or vice versa. Theoretically, the same will happen with inactivation caused by a non thermal agent whose intensity increases or diminishes, in biphasic growth under rapidly varying conditions and in enzymatic activity or inactivation.

  4. Revisiting the streptavidin-biotin binding by using an aptamer and displacement isothermal calorimetry titration.

    PubMed

    Kuo, Tai-Chih; Tsai, Ching-Wei; Lee, Peng-Chen; Chen, Wen-Yih

    2015-03-01

    The association constant of a well-known streptavidin-biotin binding has only been inferred from separately measured kinetic parameters. In a single experiment, we obtained Ka 1 × 10(12)  M(-1) by using a streptavidin-binding aptamer and ligand-displacement isothermal titration calorimetry. This study explores the challenges of determining thermodynamic parameters and the derived equilibrium binding affinity of tight ligand-receptor binding.

  5. Methods for determining the CO2 sorption capacity of coal: Experimental and theoretical high pressure isotherms

    NASA Astrophysics Data System (ADS)

    Weishauptová, Zuzana; Přibyl, Oldřich

    2016-04-01

    One way to reduce CO2 emissions discharged into the atmosphere is by trapping it and storing it in suitable repositories, including coal-bearing strata. The history of coal mining in the Czech Republic is very rich but most of the mines have been closed down in recent years. However, the unmined coal seams are interesting for the purposes of CO2 storage, especially due the opportunities they offer for recovering coal-bed methane. Mine structures of this kind can be found in large parts of the Upper Silesian Basin, where the total storage capacity has been estimated at about 380 Mt CO2. This is an interesting storage potential. In order to identify a suitable high-capacity locality for CO2 storage within a coal seam, it is necessary to study not only the geological conditions within the seam, but also the textural properties of the coal, which control the mechanism and the extent of the storage. The major storage mechanism is by sorption processes that take place in the coal porous system (adsorption in micropores and on the surface of meso/macropores, and absorption in the macromolecular structure). The CO2 sorption capacity is generally indirectly determined in a laboratory by measuring the amount of carbon dioxide captured in a coal sample at a pressure and temperature corresponding to the in situ conditions, using high pressure sorption techniques. The low pressure sorption technique can be used, by setting the partial volumes of CO2 according to its binding and storage mode. The sorption capacity is determined by extrapolation to the saturation pressure as the sum of the individual partially sorbed volumes. The aim of the study was to determine the partial volumes of CO2 bound by different mechanisms in the individual parts of the porous system of the coal, and to compare the sum with the results obtained by the high pressure isotherm. The study was carried out with 3 samples from a borehole survey in the Czech part of the Upper Silesian Basin. A high pressure

  6. The Calculation of Adsorption Isotherms from Chromatographic Peak Shapes

    ERIC Educational Resources Information Center

    Neumann, M. G.

    1976-01-01

    Discusses the relationship between adsorption isotherms and elution peak shapes in gas chromatography, and describes a laboratory experiment which involves the adsorption of hexane, cyclohexane, and benzene on alumina at different temperatures. (MLH)

  7. Determination of the Surface Energy of Sand Using Adsorption Isotherm

    NASA Astrophysics Data System (ADS)

    Ma, Lianxi; Holste, James; Hall, Kenneth

    2003-03-01

    The BET isotherm equation for multiplayer adsorption was applied to hexane, methyl propyl ketone, and water adsorption by sand (particle size > 75 mm) at 25¡ãC and accordingly, specific surface area of sand was obtained. Spreading pressures and surface energies of sand were calculated from adsorption isotherms. Hysteresis loops were observed in all isotherms but desorption isotherms approach to original points at low vapor pressure. A modified Toth-Freundlich equation was developed, which agrees with experimental data well over a wider p/p0 range. Plots of Dubinin-Radushkevich show that at low-pressure linear relation was obtained therefore our sand sample can be treated as microporous materials.

  8. Equilibrium sorption isotherms for nitrate on resin Amberlite IRA 400.

    PubMed

    Chabani, M; Amrane, A; Bensmaili, A

    2009-06-15

    The adsorption isotherms of nitrate on resin Amberlite IRA 400 at various pH, in the range 2-12, were experimentally determined by batch tests. The experimental data have been analysed using the Langmuir, Freundlich, Redlich-Peterson and Sips isotherms models. In order to determine the best fit isotherm, two error analysis methods were used to evaluate the data: the regression correlation coefficient, and the statistic Chi-square test. In the range of pH tested, the Sips model was found to give the best fit of the adsorption isotherm data. The maximum adsorption capacity can be deduced from the obtained correlation coefficients and was found to decrease for increasing pH.

  9. Loop-Mediated Isothermal Amplification (LAMP) Signature Identification Software

    SciTech Connect

    Torres, C.

    2009-03-17

    This is an extendable open-source Loop-mediated isothermal AMPlification (LAMP) signature design program called LAVA (LAMP Assay Versatile Analysis). LAVA was created in response to limitations of existing LAMP signature programs.

  10. Systematic interpolation method predicts protein chromatographic elution from batch isotherm data without a detailed mechanistic isotherm model.

    PubMed

    Creasy, Arch; Barker, Gregory; Yao, Yan; Carta, Giorgio

    2015-09-01

    Predicting protein elution for overloaded ion exchange columns requires models capable of describing protein binding over broad ranges of protein and salt concentrations. Although approximate mechanistic models are available, they do not always have the accuracy needed for precise predictions. The aim of this work is to develop a method to predict protein chromatographic behavior from batch isotherm data without relying on a mechanistic model. The method uses a systematic empirical interpolation (EI) scheme coupled with a lumped kinetic model with rate parameters determined from HETP measurements for non-binding conditions, to numerically predict the column behavior. For two experimental systems considered in this work, predictions based on the EI scheme are in excellent agreement with experimental elution profiles under highly overloaded conditions without using any adjustable parameters. A qualitative study of the sensitivity of predicting protein elution profiles to the precision, granularity, and extent of the batch adsorption data shows that the EI scheme is relatively insensitive to the properties of the dataset used, requiring only that the experimental ranges of protein and salt concentrations overlap those under which the protein actually elutes from the column and possess a ± 10% measurement precision.

  11. [Unusual shapes of absorption isotherms in three-component systems].

    PubMed

    Kruglova, E B

    2007-01-01

    It has been shown that the shape of Scatchard isotherms upon competitive binding of two ligands to the same binding site in the three-component ligand 1-ligand 2-DNA system depends crucially on the binding constant values. The binding isotherm of ligand 2 in the presence of the competitive ligand 1 turns back (has a bow-like form) when the binding constant of the first ligand is larger than the binding constant of the second one.

  12. Adsorption of nitrophenol onto activated carbon: isotherms and breakthrough curves.

    PubMed

    Chern, Jia-Ming; Chien, Yi-Wen

    2002-02-01

    The adsorption isotherm of p-nitrophenol onto granular activated carbon in 25 degrees C aqueous solution was experimentally determined by batch tests. Both the Freundlich and the Redlich-Peterson models were found to fit the adsorption isotherm data well. A series of column tests were performed to determine the breakthrough curves with varying bed depths (3-6 cm) and water flow rates (21.6-86.4 cm3/h). Explicit equations for the breakthrough curves of the fixed-bed adsorption processes with the Langmuir and the Freundlich adsorption isotherms were developed by the constant-pattern wave approach using a constant driving force model in the liquid phase. The results show that the half breakthrough time increases proportionally with increasing bed depth but decreases inverse proportionally with increasing water flow rate. The constant-pattern wave approach using the Freundlich isotherm model fits the experimental breakthrough curves quite satisfactorily. A correlation was proposed to predict the volumetric mass-transfer coefficient in the liquid phase successfully. The effects of solution temperature and pH on the adsorption isotherm were also studied and the Tóth model was found to fit the isotherm data well at varying solution temperatures and pHs.

  13. Bioanalytical applications of isothermal nucleic acid amplification techniques.

    PubMed

    Deng, Huimin; Gao, Zhiqiang

    2015-01-01

    The most popular in vitro nucleic acid amplification techniques like polymerase chain reaction (PCR) including real-time PCR are costly and require thermocycling, rendering them unsuitable for uses at point-of-care. Highly efficient in vitro nucleic acid amplification techniques using simple, portable and low-cost instruments are crucial in disease diagnosis, mutation detection and biodefense. Toward this goal, isothermal amplification techniques that represent a group of attractive in vitro nucleic acid amplification techniques for bioanalysis have been developed. Unlike PCR where polymerases are easily deactivated by thermally labile constituents in a sample, some of the isothermal nucleic acid amplification techniques, such as helicase-dependent amplification and nucleic acid sequence-based amplification, enable the detection of bioanalytes with much simplified protocols and with minimal sample preparations since the entire amplification processes are performed isothermally. This review focuses on the isothermal nucleic acid amplification techniques and their applications in bioanalytical chemistry. Starting off from their amplification mechanisms and significant properties, the adoption of isothermal amplification techniques in bioanalytical chemistry and their future perspectives are discussed. Representative examples illustrating the performance and advantages of each isothermal amplification technique are discussed along with some discussion on the advantages and disadvantages of each technique.

  14. The Isothermal Dendritic Growth Experiment (IDGE)

    NASA Technical Reports Server (NTRS)

    Glicksman, Martin E.; Koss, M. B.; Lupulescu, A. O.; LaCombe, J. C.; Frei, J. E.; Malarik, D. C.

    1999-01-01

    The Isothermal Dendritic Growth Experiment (IDGE) constituted a series of three NASA-supported microgravity experiments, all of which flew aboard the space shuttle, Columbia. This experimental space flight series was designed and operated to grow and record dendrite solidification in the absence of gravity-induced convective heat transfer, and thereby produce a wealth of benchmark-quality data for testing solidification scaling laws. The data and analysis performed on the dendritic growth speed and tip size in Succinontrie (SCN) demonstrates that although the theory yields predictions that are reasonably in agreement with experiment, there are significant discrepancies. However, some of these discrepancies can be explained by accurately describing the diffusion of heat. The key finding involves recognition that the actual three-dimensional shape of dendrites includes time-dependent side-branching and a tip region that is not a paraboloid of revolution. Thus, the role of heat transfer in dendritic growth is validated, with the caveat that a more realistic model of the dendrite then a paraboloid is needed to account for heat flow in an experimentally observed dendrite. We are currently conducting additional analysis to further confirm and demonstrate these conclusions. The data and analyses for the growth selection physics remain much less definitive. From the first flight, the data indicated that the selection parameter, sigma*, is not exactly a constant, but exhibits a slight dependence on the supercooling. Additional data from the second flight are being examined to investigate the selection of a unique dendrite speed, tip size and shape. The IDGE flight series is now complete. We are currently completing analyses and moving towards final data archiving. It is gratifying to see that the IDGE published results and archived data sets are being used actively by other scientists and engineers. In addition, we are also pleased to report that the techniques and IDGE

  15. Robust isothermal electric control of exchange bias at room temperature

    NASA Astrophysics Data System (ADS)

    Binek, Christian

    2011-03-01

    Voltage-controlled spintronics is of particular importance to continue progress in information technology through reduced power consumption, enhanced processing speed, integration density, and functionality in comparison with present day CMOS electronics. Almost all existing and prototypical solid-state spintronic devices rely on tailored interface magnetism, enabling spin-selective transmission or scattering of electrons. Controlling magnetism at thin-film interfaces, preferably by purely electrical means, is a key challenge to better spintronics. Currently, most attempts to electrically control magnetism focus on potentially large magnetoelectric effects of multiferroics. We report on our interest in magnetoelectric Cr 2 O3 (chromia). Robust isothermal electric control of exchange bias is achieved at room temperature in perpendicular anisotropic Cr 2 O3 (0001)/CoPd exchange bias heterostructures. This discovery promises significant implications for potential spintronics. From the perspective of basic science, our finding serves as macroscopic evidence for roughness-insensitive and electrically controllable equilibrium boundary magnetization in magnetoelectric antiferromagnets. The latter evolves at chromia (0001) surfaces and interfaces when chromia is in one of its two degenerate antiferromagnetic single domain states selected via magnetoelectric annealing. Theoretical insight into the boundary magnetization and its role in electrically controlled exchange bias is gained from first-principles calculations and general symmetry arguments. Measurements of spin-resolved ultraviolet photoemission, magnetometry at Cr 2 O3 (0001) surfaces, and detailed investigations of the unique exchange bias properties of Cr 2 O3 (0001)/CoPd including its electric controllability provide macroscopically averaged information about the boundary magnetization of chromia. Laterally resolved X-ray PEEM and temperature dependent MFM reveal detailed microscopic information of the chromia

  16. Isothermal and non-isothermal crystallization kinetics of PVA + ionic liquid [BDMIM][BF4]-based polymeric films

    NASA Astrophysics Data System (ADS)

    Saroj, A. L.; Chaurasia, S. K.; Kataria, Shalu; Singh, R. K.

    2016-06-01

    The effect of ionic liquid (IL), 1-butyl-2,3-dimethylimidazolium tetrafluoroborate [BDMIM][BF4], on crystallization behavior of poly(vinyl alcohol) (PVA) has been studied by isothermal and non-isothermal differential scanning calorimetry techniques. The PVA + IL based polymer electrolyte films have been prepared using solution casting technique. To describe the isothermal and non-isothermal crystallization kinetics, several kinetic equations have been employed on PVA + IL based films. There is strong dependence of the peak crystallization temperature (Tc), relative degree of crystallity (Xt), half-time of crystallization (t1/2), crystallization rate constants (Avrami Kt and Tobin AT), and Avrami (n) and Tobin (nT) exponents on the cooling rate and IL loading.

  17. Differential Binding Models for Direct and Reverse Isothermal Titration Calorimetry.

    PubMed

    Herrera, Isaac; Winnik, Mitchell A

    2016-03-10

    Isothermal titration calorimetry (ITC) is a technique to measure the stoichiometry and thermodynamics from binding experiments. Identifying an appropriate mathematical model to evaluate titration curves of receptors with multiple sites is challenging, particularly when the stoichiometry or binding mechanism is not available. In a recent theoretical study, we presented a differential binding model (DBM) to study calorimetry titrations independently of the interaction among the binding sites (Herrera, I.; Winnik, M. A. J. Phys. Chem. B 2013, 117, 8659-8672). Here, we build upon our DBM and show its practical application to evaluate calorimetry titrations of receptors with multiple sites independently of the titration direction. Specifically, we present a set of ordinary differential equations (ODEs) with the general form d[S]/dV that can be integrated numerically to calculate the equilibrium concentrations of free and bound species S at every injection step and, subsequently, to evaluate the volume-normalized heat signal (δQ(V) = δq/dV) of direct and reverse calorimetry titrations. Additionally, we identify factors that influence the shape of the titration curve and can be used to optimize the initial concentrations of titrant and analyte. We demonstrate the flexibility of our updated DBM by applying these differentials and a global regression analysis to direct and reverse calorimetric titrations of gadolinium ions with multidentate ligands of increasing denticity, namely, diglycolic acid (DGA), citric acid (CIT), and nitrilotriacetic acid (NTA), and use statistical tests to validate the stoichiometries for the metal-ligand pairs studied.

  18. A Constitutive Model for Isothermal Pseudoelasticity Coupled with Plasticity

    NASA Astrophysics Data System (ADS)

    Jiang, Dongjie; Landis, Chad M.

    2016-12-01

    In this paper, a new constitutive model for isothermal pseudoelastic shape memory alloys is presented. The model is based upon a kinematic hardening framework that was previously developed for ferroelastic and ferroelectric switching behavior. The basis of the model includes a transformation surface, an associated flow rule for transformation strain, and kinematic hardening with the back stresses represented by a transformation potential that is dependent upon the transformation strain. In contrast to many models that introduce tension/compression asymmetry by devising transformation surfaces in terms of invariants of the stress tensor, this model achieves this capability by means of expressing the transformation potential from which the back stresses are derived as a weighted mix of two potentials that are, respectively, calibrated to measured tensile and compressive responses. Additionally, in this model, plastic deformation is allowed to occur at high stresses by employing a standard J2-based yield surface with isotropic hardening. Finally, to demonstrate the ability of the constitutive model to perform in highly non-proportional loading states, some finite element simulations on crack tip fields are presented.

  19. The temperature dependence of ponded infiltration under isothermal conditions

    USGS Publications Warehouse

    Constantz, J.; Murphy, F.

    1991-01-01

    A simple temperature-sensitive modification to the Green and Ampt infiltration equation is described; this assumes that the temperature dependence of the hydraulic conductivity is reciprocally equal to the temperature dependence of the viscosity of liquid water, and that both the transmission zone saturation and the wetting front matric potential gradient are independent of temperature. This modified Green and Ampt equation is compared with ponded, isothermal infiltration experiments run on repacked columns of Olympic Sand and Aiken Loam at 5, 25, and 60??C. Experimental results showed increases in infiltration rates of at least 300% between 5 and 60??C for both soil materials, with subsequent increases in cumulative infiltration of even greater magnitudes for the loam. There is good agreement between measured and predicted initial infiltration rates at 25??C for both soil materials, yet at 60??C, the predicted results overestimate initial infiltration rates for the sand and underestimate initial rates for the loam. Measurements of the wetting depth vs. cumulative infiltration indicate that the transmission zone saturation increased with increasing temperature for both soil materials. In spite of this increased saturation with temperature, the final infiltration rates at both 25 and 60??C were predicted accurately using the modified Green and Ampt equation. This suggests that increased saturation occurred primarily in dead-end pore spaces, so that transmission zone hydraulic conductivities were unaffected by these temperature-induced changes in saturation. In conclusion, except for initial infiltration rates at 60??C, the measured influence of temperature on infiltration rates was fully accounted for by the temperature dependence of the viscosity of liquid water. ?? 1991.

  20. Isothermal aging of IM7/8320 and IM7/5260

    NASA Technical Reports Server (NTRS)

    Martin, Roderick H.; Siochi, Emilie J.; Gates, Thomas S.

    1992-01-01

    Isothermal aging was conducted on two composite systems being considered as possible candidates for the next generation supersonic transport. The composite systems were IM7/5260, a carbon/thermoset, and IM7/8320, a carbon/amorphous thermoplastic. The materials were isothermally aged for a total of 5000 hours at 125 C and 175 C. These temperatures are approximately equivalent to the upper skin temperatures of an aircraft flying at Mach 2.0 and Mach 2.4, respectively. The variations of the following properties were determined as a function of aging time: weight loss, moduli, glass transition temperature, microcracking, and modulus and strength of a +/- 45 laminate. The difficulties and accuracy of strain measurements are also discussed.

  1. Rapid detection of IHNV by molecular padlock recognition and surface-associated isothermal amplification

    NASA Astrophysics Data System (ADS)

    McCarthy, Erik L.; Egeler, Teressa J.; Bickerstaff, Lee E.; Pereira da Cunha, Mauricio; Millard, Paul J.

    2005-11-01

    RNA sequences derived from infectious hematopoeitic necrosis virus (IHNV) could be detected using a combination of surface-associated molecular padlock DNA probes (MPP) and rolling circle amplification (RCA) in microcapillary tubes. DNA oligonucleotides with base sequences identical to RNA obtained from IHNV were recognized by MPP. Circularized MPP were then captured on the inner surface of glass microcapillary tubes by immobilized DNA oligonucleotide primers. Extension of the immobilized primers by isothermal RCA gave rise to DNA concatamers, which were in turn bound by the fluorescent reporter SYBR Green II nucleic acid stain, and measured by microfluorimetry. Surface-associated molecular padlock technology, combined with isothermal RCA, exhibited high selectivity and sensitivity without thermal cycling. This technology is applicable to direct RNA and DNA detection, permitting detection of a variety of viral or bacterial pathogens.

  2. Non-Isothermal Calorimetric Studies of the Crystallization of Lithium Disilicate Glass

    NASA Technical Reports Server (NTRS)

    Ray, C. S.; Day, D. E.; Huang, W.; Narayan, K. Lakshmi; Cull, T. S.; Kelton, K. F.

    1996-01-01

    The influence of preannealing treatments on the polymorphic crystallization of lithium disilicate glasses is examined. As expected, glasses heated at different rates through the temperature range where there is significant nucleation develop widely different numbers of nuclei. This can dramatically influence the stability and transformation characteristics of the annealed glass. Non-isothermal differential scanning calorimetry (DSC) and differential thermal analysis (DTA) measurements are demonstrated to be useful to probe the nucleation behavior. The first systematic investigations of particle size effects on the non-isothermal transformation behavior are presented and discussed. Based on DTA and microscopy experiments, we show that small particles of lithium disilicate glasses crystallize primarily by surface crystallization. The relative importance of surface versus volume crystallization is examined by varying particle size, by introducing nucleating agents and by exposing glasses to atmospheres of different water content. These data are analyzed quantitatively using a numerical model developed in a second paper following in this volume.

  3. Integration and global analysis of isothermal titration calorimetry data for studying macromolecular interactions.

    PubMed

    Brautigam, Chad A; Zhao, Huaying; Vargas, Carolyn; Keller, Sandro; Schuck, Peter

    2016-05-01

    Isothermal titration calorimetry (ITC) is a powerful and widely used method to measure the energetics of macromolecular interactions by recording a thermogram of differential heating power during a titration. However, traditional ITC analysis is limited by stochastic thermogram noise and by the limited information content of a single titration experiment. Here we present a protocol for bias-free thermogram integration based on automated shape analysis of the injection peaks, followed by combination of isotherms from different calorimetric titration experiments into a global analysis, statistical analysis of binding parameters and graphical presentation of the results. This is performed using the integrated public-domain software packages NITPIC, SEDPHAT and GUSSI. The recently developed low-noise thermogram integration approach and global analysis allow for more precise parameter estimates and more reliable quantification of multisite and multicomponent cooperative and competitive interactions. Titration experiments typically take 1-2.5 h each, and global analysis usually takes 10-20 min.

  4. Characteristics of the turbulent/non-turbulent interface of a non-isothermal jet.

    PubMed

    Westerweel, Jerry; Petracci, Alberto; Delfos, René; Hunt, Julian C R

    2011-02-28

    The turbulent/non-turbulent interface of a jet is characterized by sharp jumps ('discontinuities') in the conditional flow statistics relative to the interface. Experiments were carried out to measure the conditional flow statistics for a non-isothermal jet, i.e. a cooled jet. These experiments are complementary to previous experiments on an isothermal Re=2000 jet, where, in the present experiments on a non-isothermal jet, the thermal diffusivity is intermediate to the diffusivity of momentum and the diffusivity of mass. The experimental method is a combined laser-induced fluorescence/particle image velocimetry method, where a temperature-sensitive fluorescent dye (rhodamine 6G) is used to measure the instantaneous temperature fluctuations. The results show that the cooled jet can be considered to behave like a self-similar jet without any significant buoyancy effects. The detection of the interface is based on the instantaneous temperature, and provides a reliable means to detect the interface. Conditional flow statistics reveal the superlayer jump in the conditional vorticity and in the temperature.

  5. Comparison of different sample preparation techniques in TEM observation of microstructure of INCONEL alloy 783 subjected to prolonged isothermal exposure.

    PubMed

    Ma, Longzhou

    2004-01-01

    INCONEL alloy 783 was annealed and aged following the standard heat treatment procedure. One set of specimens was then isothermally exposed at 500 degrees C for 3000 h. Mechanical properties were measured at room temperature and 650 degrees C, and the results showed the prolonged exposure increased the strength and decreased elongation of alloy 783. The microstructures of as-produced and exposed material were examined using optical microscope, SEM and TEM, respectively. Three techniques, jet electro-polishing, ion milling, and focused ion beam, were employed to prepare the TEM samples to observe the variation of microstructure of alloy 783 due to isothermal exposure. TEM images of samples prepared by different methods were analyzed and compared. The results indicate that the jet electro-polishing technique allows the detail microstructure of alloy 783 subjected to different treatments to be well revealed, and thereby the TEM images can be used to explain the enhancement of strength of alloy 783 caused by isothermal exposure.

  6. Adsorption isotherms of 2,2,4-trimethylpentane and toluene vapors on hydrocarbon adsorber and light-off catalyst.

    PubMed

    Kim, Dae Jung

    2004-01-15

    Two monolithic hydrocarbon adsorbers and a monolithic light-off catalyst were selected as adsorbents, and the adsorptive capacity of a hydrocarbon for the adsorbents was measured by using a precise volumetric adsorption apparatus. 2,2,4-Trimethylpentane and toluene vapors were chosen as adsorbates. Equilibrium experiments were carried out at three different temperatures of 303.15, 323.15, and 343.15 K. Adsorption data of each hydrocarbon was fitted to the well-known isotherms such as the Langmuir equation and the Freundlich equation. The Freundlich isotherm predicted equilibrium data better than the Langmuir isotherm. Furthermore, the surface energetic heterogeneity of the adsorbents was evaluated using the isosteric heat of adsorption based on Clausius-Clapeyron equation. The surface energetic heterogeneity of the adsorbents depended on the precious metal (PM) loading and H-ZSM5 loading.

  7. A novel approach for evaluating the performance of real time quantitative loop-mediated isothermal amplification-based methods.

    PubMed

    Nixon, Gavin J; Svenstrup, Helle F; Donald, Carol E; Carder, Caroline; Stephenson, Judith M; Morris-Jones, Stephen; Huggett, Jim F; Foy, Carole A

    2014-12-01

    Molecular diagnostic measurements are currently underpinned by the polymerase chain reaction (PCR). There are also a number of alternative nucleic acid amplification technologies, which unlike PCR, work at a single temperature. These 'isothermal' methods, reportedly offer potential advantages over PCR such as simplicity, speed and resistance to inhibitors and could also be used for quantitative molecular analysis. However there are currently limited mechanisms to evaluate their quantitative performance, which would assist assay development and study comparisons. This study uses a sexually transmitted infection diagnostic model in combination with an adapted metric termed isothermal doubling time (IDT), akin to PCR efficiency, to compare quantitative PCR and quantitative loop-mediated isothermal amplification (qLAMP) assays, and to quantify the impact of matrix interference. The performance metric described here facilitates the comparison of qLAMP assays that could assist assay development and validation activities.

  8. Comparison of high-pressure CO2 sorption isotherms on Eastern and Western US coals

    SciTech Connect

    Romanov, V; Hur, T -B; Fazio, J; Howard, B

    2013-10-01

    Accurate estimation of carbon dioxide (CO2) sorption capacity of coal is important for planning the CO2 sequestration efforts. In this work, we investigated sorption and swelling behavior of several Eastern and Western US coal samples from the Central Appalachian Basin and from San Juan Basin. The CO2 sorption isotherms have been completed at 55°C for as received and dried samples. The role of mineral components in coal, the coal swelling, the effects of temperature and moisture, and the error propagation have been analyzed. Changes in void volume due to dewatering and other factors such as temporary caging of carbon dioxide molecules in coal matrix were identified among the main factors affecting accuracy of the carbon dioxide sorption isotherms. The (helium) void volume in the sample cells was measured before and after the sorption isotherm experiments and was used to build the volume-corrected data plots.

  9. Adsorption of CO{sub 2} on activated carbon: Simultaneous determination of integral heat and isotherm of adsorption

    SciTech Connect

    Berlier, K.; Frere, M.

    1996-09-01

    Simultaneous measurements of isotherms and integral heats of adsorption of carbon dioxide (CO{sub 2}) at temperatures ranging from 278 K to 327 K (seven temperatures) and at pressures up to 110 kPa on activated carbon are presented.

  10. Isothermal titration calorimetry studies on the binding of DNA bases and PNA base monomers to gold nanoparticles.

    PubMed

    Gourishankar, A; Shukla, Sourabh; Ganesh, Krishna N; Sastry, Murali

    2004-10-20

    An isothermal titration calorimetric (ITC) investigation of the interaction of DNA bases and PNA base monomers with gold nanoparticles is described revealing a binding sequence in the order C > G > A > T. Direct measurement of the strength of interaction of ligands with nanogold by ITC has important implications in surface modification strategies for biomedical, catalysis, and nanoarchitecture applications.

  11. Pattern of adsorption isotherms in Ono-Kondo coordinates.

    PubMed

    Sumanatrakul, Panita; Abaza, Sarah; Aranovich, Gregory L; Sangwichien, Chayanoot; Donohue, Marc D

    2012-02-15

    The Ono-Kondo lattice density functional theory is used to analyze adsorbate-adsorbate interactions for supercritical systems. In prior work, this approach has been used to study intermolecular interactions in subcritical adsorbed phases, and this has included the study of adsorbate-adsorbate repulsions in the regime of adsorption compression. In this paper, we present the general pattern of adsorption isotherms in Ono-Kondo coordinates; this has not been done in the past. For this purpose, experimental isotherms for adsorption of supercritical fluids (including nitrogen, methane, and carbon dioxide) are plotted in Ono-Kondo coordinates. In addition, we performed Grand Canonical Monte Carlo simulations of adsorption for Lennard-Jones molecules and plotted isotherms in Ono-Kondo coordinates. Our results indicate a pattern of isotherms with regimes of adsorbate-adsorbate attractions at low surface coverage and adsorbate-adsorbate repulsions at high surface coverage. When the generalized Ono-Kondo model is used over a wide range of pressures - from low pressures of the Henry's law regime to supercritical pressures - the slope of the isotherm varies from positive at low pressures to negative at high pressures. The linear sections of these graphs show when the adsorbate-adsorbate interaction energies are approximately constant. When these linear sections have negative slopes, it indicates that the system is in a state of adsorption compression.

  12. Binding Isotherms and Time Courses Readily from Magnetic Resonance.

    PubMed

    Xu, Jia; Van Doren, Steven R

    2016-08-16

    Evidence is presented that binding isotherms, simple or biphasic, can be extracted directly from noninterpreted, complex 2D NMR spectra using principal component analysis (PCA) to reveal the largest trend(s) across the series. This approach renders peak picking unnecessary for tracking population changes. In 1:1 binding, the first principal component captures the binding isotherm from NMR-detected titrations in fast, slow, and even intermediate and mixed exchange regimes, as illustrated for phospholigand associations with proteins. Although the sigmoidal shifts and line broadening of intermediate exchange distorts binding isotherms constructed conventionally, applying PCA directly to these spectra along with Pareto scaling overcomes the distortion. Applying PCA to time-domain NMR data also yields binding isotherms from titrations in fast or slow exchange. The algorithm readily extracts from magnetic resonance imaging movie time courses such as breathing and heart rate in chest imaging. Similarly, two-step binding processes detected by NMR are easily captured by principal components 1 and 2. PCA obviates the customary focus on specific peaks or regions of images. Applying it directly to a series of complex data will easily delineate binding isotherms, equilibrium shifts, and time courses of reactions or fluctuations.

  13. Crystallisation kinetics of some archetypal ionic liquids: isothermal and non-isothermal determination of the Avrami exponent.

    PubMed

    Pas, Steven J; Dargusch, Matthew S; MacFarlane, Douglas R

    2011-07-07

    The properties of ionic liquids give rise to applications in diverse technology areas including mechanical engineering, mining, aerospace and defence. The arbitrary physical property that defines an ionic liquid is a melting point below 100 °C, and as such, an understanding of crystallisation phenomena is extremely important. This is the first report dealing with the mechanism of crystallisation in ionic liquids. Assuming crystallisation of the ionic liquids is a thermal or mass diffusion-controlled process, the values of the isothermal Avrami exponent obtained from three different ionic liquids with three different anions and cations all indicate that growth occurs with a decreasing nucleation rate (n=1.8-2.2). For one of the ionic liquids it was possible to avoid crystallisation by fast cooling and then observe a devitrification upon heating through the glass transition. The isothermal Avrami exponent of devitrification suggested growth with an increasing nucleating rate (n=4.1), compared to a decreasing nucleation rate when crystallisation occurs on cooling from the melt (n=2.0). Two non-isothermal methods were employed to determine the Avrami exponent of devitrification. Both non-isothermal Avrami exponents were in agreement with the isothermal case (n=4.0-4.15). The applicability of JMAK theory suggests that the nucleation event in the ionic liquids selected is a random stochastic process in the volume of the material. Agreement between the isothermal and non-isothermal techniques for determining the Avrami exponent of devitrification suggests that the pre-exponential factor and the activation energy are independent of thermal history. The heating rate dependence of the glass transition enabled the calculation of the fragility index, which suggests that the ionic liquid is a "strong" glass former. This suggests that the temperature dependence of the rate constant could be close to Arrhenius, as assumed by JMAK theory. More generally, therefore, it can be

  14. Sorbent Mass Variation Method: A New Possibility for the Determination of Binding Isotherms.

    PubMed

    Nagy, Miklós; Siegl, Zoltán; Szili, Krisztina; Fábos, Viktória; Kántor, Krisztina

    2016-06-28

    Measurement of equilibrium mass fraction of a surfactant as a function of the sorbent mass fraction was performed on gel sorbent-solution systems in order to determine binding isotherms and to calculate fundamental characteristics of the solvation layer. With application of this new method, it was possible to calculate specific solvation/sorption capacity and absolute average local composition of the solvation layer. It has been pointed out by systematic variation of the composition (hydrophobicity) and degree of cross-linking of the gel sorbents that the ratio of components in the solvation layer can be constant in a given range of equilibrium mass fraction of the sodium dodecyl sulfate (SDS) and that the specific solvation/sorption capacity of gel sorbents can be much greater than that of activated carbon type adsorbents. On the basis of a mixed sorbent model, it turned out from calculations that there is no preferential binding of SDS close to the chemical cross-links and that the surfactant molecules prefer vinyl acetate groups as binding sites. The density of cross-links regulates the aggregation number of the bound surfactant as well. For loose gels, both binding isotherms and swelling curves show that the surfactant-polymer interaction is a strongly cooperative process. The result of these experiments may influence the general concept of solvation/sorption isotherms and all related phenomena.

  15. The sorption of sulfamethazine on soil samples: isotherms and error analysis.

    PubMed

    Mutavdžić Pavlović, Dragana; Ćurković, Lidija; Blažek, Dijana; Župan, Josip

    2014-11-01

    In this paper, batch sorption of sulfamethazine on eight soil samples (six from Croatia and two from Bosnia and Hercegovina) with different organic matter contents ranging from 1.52 to 12.8% was investigated. The effects of various parameters such as agitation time, initial concentration, and ionic strength on the sulfamethazine sorption were studied. The experimental data were analysed using a one-parameter model, Linear isotherm, and two two-parameter models, the Freundlich and Dubinin-Radushkevich isotherms. The goodness of fit was measured using the linear regression and the determination coefficient (R(2)) value. Also, the equilibrium data of the two-parameter models were analysed using the residual root mean square error (RMSE), the sum of squares of errors (ERRSQ), and a composite fractional error function (HYBRID). Non-linear regression has better characteristics for analysing experimental data. The obtained sorption coefficients Kd (from 0.25 to 8.10 mL/g) and the Freundlich sorption coefficients KF (from 1.16 to 7.99 (μg/g)(mL/μg)(1/n)) exhibited quite low values, which indicated that sulfamethazine is weakly adsorbed on the evaluated soils, is highly mobile, and has a great potential to penetrate and pollute the ground water. The Dubinin-Radushkevich isotherm was used to estimate the apparent free energy of sorption.

  16. Curie temperature isotherm analysis and tectonic implications of aeromagnetic data from Nevada

    USGS Publications Warehouse

    Blakely, R.J.

    1988-01-01

    Estimates of the depth to the Curie temperature isotherm in Nevada are in accordance with other regional geologic and geophysical information and together can be explained in the context of presentday tectonism. A method to estimate the depth extent of magnetic sources from the statistical properties of magnetic anomalies was applied to a statewide compilation of aeromagnetic data from Nevada. Basal depths of magnetic sources show no apparent correlation with the so-called magnetic quiet zone, which trends northerly through the eastern part of the state, or with basin-and-range topography. However, certain correlations with published heat flow measurements are apparent and suggest that undulations in basal depth of magnetic sources are related in part to undulations in the Curie temperature isotherm. For example, an area of shallow basal depth (<10 km) near Battle Mountain corresponds to an area of exceptionally high conductive heat flow and indicates a shallow depth to the Curie temperature isotherm in this region. A narrow zone of shallow basal depth extends south from the Battle Mountain area along the 118??W meridian to at least latitude 38??N, which also is a zone of historic surface offsets and high-magnitude earthquakes. The correspondence along the 118?? meridian of shallow basal depth, high heat flow, high lower crustal seismic velocities, attenuated P and S wave arrivals, historic faulting and, large earthquakes suggests that they each are related to an active north trending spreading zone in this part of the Basin and Range province. -Author

  17. Isotherms for Water Adsorption on Molecular Sieve 3A: Influence of Cation Composition

    SciTech Connect

    Lin, Ronghong; Ladshaw, Austin; Nan, Yue; Liu, Jiuxu; Yiacoumi, Sotira; Tsouris, Costas; DePaoli, David W.; Tavlarides, Lawrence L.

    2015-06-16

    This study is part of our continuing efforts to address engineering issues related to the removal of tritiated water from off-gases produced in used nuclear fuel reprocessing facilities. In the current study, adsorption equilibrium of water on molecular sieve 3A beads was investigated. Adsorption isotherms for water on the UOP molecular sieve 3A were measured by a continuous-flow adsorption system at 298, 313, 333, and 353 K. Experimental data collected were analyzed by the Generalized Statistical Thermodynamic Adsorption (GSTA) isotherm model. The K+/Na+ molar ratio of this particular type of molecular sieve 3A was ~4:6. Our results showed that the GSTA isotherm model worked very well to describe the equilibrium behavior of water adsorption on molecular sieve 3A. The optimum number of parameters for the current experimental data was determined to be a set of four equilibrium parameters. This result suggests that the adsorbent crystals contain four energetically distinct adsorption sites. In addition, it was found that water adsorption on molecular sieve 3A follows a three-stage adsorption process. This three-stage adsorption process confirmed different water adsorption sites in molecular sieve crystals. In addition, the second adsorption stage is significantly affected by the K+/Na+ molar ratio. In this stage, the equilibrium adsorption capacity at a given water vapor pressure increases as the K+/Na+ molar ratio increases.

  18. Isotherms for Water Adsorption on Molecular Sieve 3A: Influence of Cation Composition

    DOE PAGES

    Lin, Ronghong; Ladshaw, Austin; Nan, Yue; ...

    2015-06-16

    This study is part of our continuing efforts to address engineering issues related to the removal of tritiated water from off-gases produced in used nuclear fuel reprocessing facilities. In the current study, adsorption equilibrium of water on molecular sieve 3A beads was investigated. Adsorption isotherms for water on the UOP molecular sieve 3A were measured by a continuous-flow adsorption system at 298, 313, 333, and 353 K. Experimental data collected were analyzed by the Generalized Statistical Thermodynamic Adsorption (GSTA) isotherm model. The K+/Na+ molar ratio of this particular type of molecular sieve 3A was ~4:6. Our results showed that themore » GSTA isotherm model worked very well to describe the equilibrium behavior of water adsorption on molecular sieve 3A. The optimum number of parameters for the current experimental data was determined to be a set of four equilibrium parameters. This result suggests that the adsorbent crystals contain four energetically distinct adsorption sites. In addition, it was found that water adsorption on molecular sieve 3A follows a three-stage adsorption process. This three-stage adsorption process confirmed different water adsorption sites in molecular sieve crystals. In addition, the second adsorption stage is significantly affected by the K+/Na+ molar ratio. In this stage, the equilibrium adsorption capacity at a given water vapor pressure increases as the K+/Na+ molar ratio increases.« less

  19. Isothermal annealing of a 620 nm optical absorption band in Brazilian topaz crystals

    NASA Astrophysics Data System (ADS)

    Isotani, Sadao; Matsuoka, Masao; Albuquerque, Antonio Roberto Pereira Leite

    2013-04-01

    Isothermal decay behaviors, observed at 515, 523, 562, and 693 K, for an optical absorption band at 620 nm in gamma-irradiated Brazilian blue topaz were analyzed using a kinetic model consisting of O- bound small polarons adjacent to recombination centers (electron traps). The kinetic equations obtained on the basis of this model were solved using the method of Runge-Kutta and the fit parameters describing these defects were determined with a grid optimization method. Two activation energies of 0.52±0.08 and 0.88±0.13 eV, corresponding to two different structural configurations of the O- polarons, explained well the isothermal decay curves using first-order kinetics expected from the kinetic model. On the other hand, thermoluminescence (TL) emission spectra measured at various temperatures showed a single band at 400 nm in the temperature range of 373-553 K in which the 620 nm optical absorption band decreased in intensity. Monochromatic TL glow curve data at 400 nm extracted from the TL emission spectra observed were found to be explained reasonably by using the knowledge obtained from the isothermal decay analysis. This suggests that two different structural configurations of O- polarons are responsible for the 620 nm optical absorption band and that the thermal annealing of the polarons causes the 400 nm TL emission band.

  20. Moisture adsorption isotherms and glass transition temperature of pectin.

    PubMed

    Basu, Santanu; Shivhare, U S; Muley, S

    2013-06-01

    The moisture adsorption isotherms of low methoxyl pectin were determined at 30-70°C and water activity ranging from 0.11 to 0.94. The moisture adsorption isotherms revealed that the equilibrium moisture content increased with water activity. Increase in temperature, in general, resulted in decreased equilibrium moisture content. However in some cases, equilibrium moisture content values increased with temperature at higher water activities. Selected sorption models (GAB, Halsey, Henderson, Oswin, modified Oswin) were tested for describing the adsorption isotherms. Parameters of each sorption models were determined by nonlinear regression analysis. Oswin model gave the best fit for pectin sorption behaviour. Isosteric heat of sorption decreased with increase in moisture content and varied between 14.607 and 0.552 kJ/mol. Glass transition temperature decreased with increase in moisture content of pectin.

  1. Modeling and CFD prediction for diffusion and adsorption within room with various adsorption isotherms.

    PubMed

    Murakami, S; Kato, S; Ito, K; Zhu, Q

    2003-01-01

    This paper presents physical models that are used for analyzing numerically the transportation of volatile organic compounds (VOCs) from building materials in a room. The models are based on fundamental physicochemical principles of their diffusion and adsorption/desorption (hereafter simply sorption) both in building materials and in room air. The performance of the proposed physical models is examined numerically in a test room with a technique supported by computational fluid dynamics (CFD). Two building materials are used in this study. One is a VOC emitting material for which the emission rate is mainly controlled by the internal diffusion of the material. The other is an adsorptive material that has no VOC source. It affects the room air concentration of VOCs with its sorption process. The floor is covered with an emission material made of polypropylene styrene-butadiene rubber (SBR). An adsorbent material made of coal-based activated carbon is spread over the sidewalls. The results of numerical prediction show that the physical models and their numerical simulations explain well the mechanism of the transportation of VOCs in a room.

  2. Evaluation of the stability of aspirin in solid state by the programmed humidifying and non-isothermal experiments.

    PubMed

    Li, Lin-Li; Zhan, Xian-Cheng; Tao, Jian-Lin

    2008-03-01

    The influence of both moisture and heat on the stability of aspirin was investigated by a single pair of experiments, one with programmed humidity control and the other non-isothermal, rather than many standard isothermal studies, each at constant relative humidity. In experiments, we adopted the acid-base back titration method to measure the content of aspirin in the presence of its degradation products. It was found that the degradation of aspirin could be expressed as ln[(c0-c)/c]=kt+D, where D was a lag time item not related to humidity and temperature. The relationship between the degradation rate constant k and humidity Hr) and temperature T could be described as Arrhenius equation multiplied by an exponential item of relative humidity: k = A . exp(mHr) . exp(-(Ea/RT)), where A, Ea and m were the pre-exponential factor, observed activation energy, and a parameter related to humidity, respectively. The results obtained from the programmed humidifying and non-isothermal experiments, A=(1.09+/-2.04)x10(12) h(-1), Ea=(93.5+/-2.2) kJ . mol(-1) and m=1.18+/-0.19, were comparable to those from isothermal studies at constant humidity, A=(1.71+/-0.35)x10(12) h(-1), Ea=(94.9+/-0.7) kJ . mol(-1) and m=1.20+/-0.02. Since the programmed humidifying and non-isothermal experiments save time, labor and materials, it is suggested that the new experimental method can be used to investigate the stability of drugs unstable to both moisture and heat, instead of many classical isothermal experiments at constant humidity.

  3. Effect of grain size on uranium(VI) surface complexation kinetics and adsorption additivity.

    PubMed

    Shang, Jianying; Liu, Chongxuan; Wang, Zheming; Zachara, John M

    2011-07-15

    The contribution of variable grain sizes to uranium adsorption/desorption was studied using a sediment from the US DOE Hanford site. The sediment was wet sieved into four size fractions: coarse sand (1-2 mm), medium sand (0.2-1 mm), fine sand (0.053-0.2 mm), and clay/silt fraction (<0.053 mm). For each size fraction and their composite (sediment), batch and flow-cell experiments were performed to determine uranium adsorption isotherms and kinetic uranium adsorption and subsequent desorption. The results showed that uranium adsorption isotherms and adsorption/desorption kinetics were size specific, reflecting the effects of size-specific adsorption site concentration and kinetic rate constants. The larger-size fraction had a larger mass percentage in the sediment but with a smaller adsorption site concentration and generally a slower uranium adsorption/desorption rate. The same equilibrium surface complexation reaction and reaction constant could describe uranium adsorption isotherms for all size fractions and the composite after accounting for the effect of adsorption site concentration. Mass-weighted, linear additivity was observed for both uranium adsorption isotherms and adsorption/desorption kinetics in the composite. One important implication of this study is that grain-size distribution may be used to estimate uranium adsorption site and adsorption/desorption kinetic rates in heterogeneous sediments from a common location.

  4. Synthesis of mesoporous hydroxyapatite using a modified hard-templating route

    SciTech Connect

    Xia Zhiguo; Liao Libing; Zhao Senlin

    2009-08-05

    Mesoporous polycrystals of hydroxyapatite-calcium are synthesized via a modified hard-templating route. The structure properties of hydroxyapatite-calcium are characterized by means of X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscopy and N{sub 2} adsorption-desorption isotherms. Wide-angle X-ray diffraction and Fourier transform infrared spectroscopy measurements reveal that the crystalline grains consist of highly crystalline pure hydroxyapatite phases. Transmission electron microscopy results show that rod-like hydroxyapatite-calcium grains with an average diameter of about 100 nm long and about 20 nm wide are uniformly distributed, which are also observed with an average pore size of 2-3 nm. Based on N{sub 2} adsorption-desorption isotherms investigation, the pore size, surface area and pore volume of mesoporous hydroxyapatite-calcium are 2.73 nm, 42.43 m{sup 2} g{sup -1} and 0.12 cm{sup 3} g{sup -1}, respectively.

  5. Hierarchical flower-like Co₃-xFexO₄ ferrite hollow spheres: facile synthesis and catalysis in the degradation of methylene blue.

    PubMed

    Hao, Jinhui; Yang, Wenshu; Zhang, Zhe; Pan, Shunhao; Lu, Baoping; Ke, Xi; Zhang, Bailin; Tang, Jilin

    2013-04-07

    A facile method is proposed for the synthesis of three-dimensional (3D) flower-like Co3-xFexO4 ferrite (CF) hollow spheres, using SiO2@FeOOH as precursor. The CF hollow spheres are efficient for the catalytic degradation of methylene blue (MB) in the presence of H2O2 at 80 °C. The obtained CF hollow spheres were characterized using transmission electron microscopy, field emission scanning electron microscopy, X-ray diffraction, X-ray photo-electron spectroscopy, and N2 adsorption-desorption isotherm measurements. The formation of 3D hierarchical flower-like superstructure was influenced by the relative amount of urea used. As the mole ratio of CoCl2 and urea decreased, the structure of the products was tailored from yolk-like spheres to hollow spheres with different sized void interiors. Moreover, N2 adsorption-desorption isotherm analysis showed that the CF hollow spheres have a large specific surface area (163 m(2) g(-1)) which provided more activity sites. The CF hollow spheres can catalyze the oxidation of MB efficiently. These results indicate that the designed CF hollow spheres exhibit promising capability for the degradation of dyes.

  6. Rapid methyl orange degradation using porous ZnO spheres photocatalyst.

    PubMed

    Tripathy, Nirmalya; Ahmad, Rafiq; Kuk, Hyeon; Lee, Dae Hoon; Hahn, Yoon-Bong; Khang, Gilson

    2016-08-01

    Porous zinc oxide (ZnO) spheres were synthesized by facile low temperature solution route. The as-synthesized porous ZnO spheres were characterized in detail in terms of their morphological, structural, optical and photocatalytic properties using field-emission scanning electron microscopy (FESEM, equipped with energy dispersive spectroscopy (EDS)), transmission electron microscopy (TEM), high-resolution TEM (HRTEM), X-ray diffractometer (XRD), UV-visible spectroscopy and Raman-scattering measurements. Nitrogen adsorption-desorption analysis was performed to determine pore size distribution from the adsorption isotherm curves using the Barrett-Joyner-Halenda (BJH) method. Morphological and structural characterizations showed porous nature of ZnO spheres with high surface area, good crystallinity, wurtzite hexagonal phase and good optical features. Next, ZnO spheres were studied as photocatalyst for photodegradation of harmful dye, methyl orange (MO). Under ultraviolet light irradiation, the decrease in MO dye concentration was monitored by UV-visible spectroscopy at different time intervals until the dye was completely degraded to colorless end product. Rapid MO dye decomposition was observed with a degradation rate of ~96.3% within the initial 120min, which is attributed to the porous nature, large specific surface area (114.6m(2)g(-1)), narrow pore size distribution (~2.5 to 25nm) evaluated from N2 adsorption-desorption isotherms analysis and excellent electron accepting features of the engineered porous ZnO spheres.

  7. Application of water-activated carbon isotherm models to water adsorption isotherms of single-walled carbon nanotubes.

    PubMed

    Kim, Pyoungchung; Agnihotri, Sandeep

    2008-09-01

    The objective of this study is to understand the interactions of water with novel nanocarbons by implementing semiempirical models that were developed to interpret adsorption isotherms of water in common carbonaceous adsorbents. Water adsorption isotherms were gravimetrically determined on several single-walled carbon nanotube (SWNT) and activated carbon samples. Each isotherm was fitted to the Dubinin-Serpinsky (DS) equation, the Dubinin-Astakov equation, the cooperative multimolecular sorption theory, and the Do and Do equations. The applicability of these models was evaluated by high correlation coefficients and the significance of fitting parameters, especially those that delineate the concentration of hydrophilic functional groups, micropore volume, and the size of water clusters. Samples were also characterized by spectroscopic and adsorption techniques, and properties complementary to those quantified by the fitting parameters were extracted from the data collected. The comparison of fitting parameters with sample characterization results was used as the methodology for selecting the most informative and the best-fitting model. We conclude that the Do equation, as modified by Marban et al., is the most suitable semiempirical equation for predicting from experimental isotherms alone the size of molecular clusters that facilitate adsorption in SWNTs, deconvoluting the experimental isotherms into two subisotherms: adsorption onto hydrophilic groups and filling of micropores, and quantifying the concentration of hydrophilic functional groups, as well as determining the micropore volume explored by water. With the exception of the DS equation, the application of other water isotherm models to SWNTs is not computationally tractable. The findings from this research should aid studies of water adsorption in SWNTs by molecular simulation, which remains the most popular tool for understanding the microscopic behavior of water in nanocarbons.

  8. Derivation of the Freundlich Adsorption Isotherm from Kinetics

    ERIC Educational Resources Information Center

    Skopp, Joseph

    2009-01-01

    The Freundlich adsorption isotherm is a useful description of adsorption phenomena. It is frequently presented as an empirical equation with little theoretical basis. In fact, a variety of derivations exist. Here a new derivation is presented using the concepts of fractal reaction kinetics. This derivation provides an alternative basis for…

  9. Determination of adsorption isotherms in supercritical fluid chromatography.

    PubMed

    Enmark, Martin; Forssén, Patrik; Samuelsson, Jörgen; Fornstedt, Torgny

    2013-10-18

    In this study we will demonstrate the potential of modern integrated commercial analytical SFC-systems for rapid and reliable acquisition of thermodynamic data. This will be done by transferring the following adsorption isotherm determination methods from liquid chromatography (LC) to supercritical fluid chromatography (SFC): Elution by Characteristic Points (ECP), the Retention Time Method (RTM), the Inverse Method (IM) and the Perturbation Peak (PP) method. In order to transfer these methods to SFC in a reliable, reproducible way we will demonstrate that careful system verification using external sensors of mass flow, temperature and pressure are needed first. The adsorption isotherm data generated by the different methods were analyzed and compared and the adsorption isotherms ability to predict new experimental elution profiles was verified by comparing experiments with simulations. It was found that adsorption isotherm data determined based on elution profiles, i.e., ECP, IM and RTM, were able to accurately predict overloaded experimental elution profiles while the more tedious and time-consuming PP method, based on small injections on concentration plateaus, failed in doing so.

  10. Isothermal Titration Calorimetry Can Provide Critical Thinking Opportunities

    ERIC Educational Resources Information Center

    Moore, Dale E.; Goode, David R.; Seney, Caryn S.; Boatwright, Jennifer M.

    2016-01-01

    College chemistry faculties might not have considered including isothermal titration calorimetry (ITC) in their majors' curriculum because experimental data from this instrumental method are often analyzed via automation (software). However, the software-based data analysis can be replaced with a spreadsheet-based analysis that is readily…

  11. 40 CFR 796.2750 - Sediment and soil adsorption isotherm.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... colloid interfaces can be incorporated into this test. The ease of performing the isotherm test and mass... section served as the basis for this section. The soil and colloid chemistry literature and the analytical... using a chemical and/or physical treatment that does not alter or minimally alters the colloid...

  12. 40 CFR 796.2750 - Sediment and soil adsorption isotherm.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... colloid interfaces can be incorporated into this test. The ease of performing the isotherm test and mass... section served as the basis for this section. The soil and colloid chemistry literature and the analytical... using a chemical and/or physical treatment that does not alter or minimally alters the colloid...

  13. 40 CFR 796.2750 - Sediment and soil adsorption isotherm.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... colloid interfaces can be incorporated into this test. The ease of performing the isotherm test and mass... section served as the basis for this section. The soil and colloid chemistry literature and the analytical... using a chemical and/or physical treatment that does not alter or minimally alters the colloid...

  14. 40 CFR 796.2750 - Sediment and soil adsorption isotherm.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... colloid interfaces can be incorporated into this test. The ease of performing the isotherm test and mass... section served as the basis for this section. The soil and colloid chemistry literature and the analytical... using a chemical and/or physical treatment that does not alter or minimally alters the colloid...

  15. 40 CFR 796.2750 - Sediment and soil adsorption isotherm.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... colloid interfaces can be incorporated into this test. The ease of performing the isotherm test and mass... section served as the basis for this section. The soil and colloid chemistry literature and the analytical... using a chemical and/or physical treatment that does not alter or minimally alters the colloid...

  16. Utilizing a constant peak width transform for isothermal gas chromatography.

    PubMed

    Nadeau, Jeremy S; Wilson, Ryan B; Fitz, Brian D; Reed, Jason T; Synovec, Robert E

    2011-06-10

    A computational approach to partially address the general elution problem (GEP), and better visualize, isothermal gas chromatograms is reported. The theoretical computational approach is developed and applied experimentally. We report a high speed temporally increasing boxcar summation (TIBS) transform that, when applied to the raw isothermal GC data, converts the chromatographic data from the initial time domain (in which the peak widths in isothermal GC increase as a function of their retention factors, k), to a data point based domain in which all peaks have the same peak width in terms of number of points in the final data vector, which aides in preprocessing and data analysis, while minimizing data storage size. By applying the TIBS transform, the resulting GC chromatogram (initially collected isothermally), appears with an x-axis point scale as if it were instrumentally collected using a suitable temperature program. A high speed GC isothermal separation with a test mixture containing 10 compounds had a run time of ∼25 s. The peak at a retention factor k ∼0.7 had a peak width of ∼55 ms, while the last eluting peak at k ∼89 (i.e., retention time of ∼22 s) had a peak width of ∼2000 ms. Application of the TIBS transform increased the peak height of the last eluting peak 45-fold, and S/N ∼20-fold. All peaks in the transformed test mixture chromatogram had the width of an unretained peak, in terms of number of data points. A simulated chromatogram at unit resolution, studied using the TIBS transform, provided additional insight into the benefits of the algorithm.

  17. Pressure-density isotherms of He/sup 3/ gas below 1. 3 K

    SciTech Connect

    Cameron, J.A.

    1984-01-01

    The second virial coefficient of He/sup 3/ gas and the absolute temperature of the gas were determined at five different temperatures below 1.3 K. The technique used involved measuring pressure and density simultaneously at different points along an isotherm and using the virial equation to determine the temperature and the second virial coefficient. The results are in good agreement with empirical calculations of the second virial coefficient which are based on measurements made at higher temperatures. The measurements of temperature, while only known to within +/- 1.5 mK, confirm the widespread belief that the T/sub 62/ temperature scale is in error by several mK. Pressure and density were measured in-situ, using superconducting microwave cavities. These eliminate many sources of error which have in the past made measurements inaccurate below 1.5 K. The density and pressure could be related to changes in the resonant frequencies of the cavities.

  18. Experimental and Numerical Studies on Isothermal and Non-isothermal Deep Drawing of IS 513 CR3 Steel Sheets

    NASA Astrophysics Data System (ADS)

    Mayavan, T.; Karthikeyan, L.; Senthilkumar, V. S.

    2016-11-01

    The present work aims to investigate the effects of the temperature gradient developed within the tool profiles on the formability of IS 513 CR3-grade steel sheets using the cup drawing test. The deformation characteristics of steel sheets were analyzed by comparing the thicknesses in various regions of the formed cup and also the limiting drawing ratios (LDR). Finite element simulations were carried out to predict the behavior of the steel sheets in isothermal and non-isothermal forming using Abaqus/Standard 6.12-1. An analytical model created by Kim was used to validate the experimental and finite element analysis (FEA) results on identical process parameters. Both the FEA and analytical modeling results showed that formability improvement is possible in warm forming; the findings are in good agreement with the experimental results in determining the locations and values of excessive thinning. The results also indicated that formability improvement cannot be achieved by keeping the tooling temperature at the same level. The LDR increased by around 9.5% in isothermal forming and by 19% in non-isothermal forming (with the punch maintained at a lower temperature compared with the die and blank holder). In addition, the fractured surfaces of unsuccessfully formed samples were analyzed using scanning electron microscopy. Metallographic investigations confirmed that the fracture mechanism during the forming of IS 513 CR3-grade steel sheets depends on the brittleness, strain hardening value, forming temperature, and magnitude of stresses developed.

  19. In-situ measurements of volatile toxic organics in indoor air using long-path Fourier transform infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Green, Martina; Seiber, James N.; Biermann, Heinz W.

    1993-03-01

    A Fourier transform infrared (FTIR) spectrometer interfaced to a 2.5 m base path, open multi- pass cell was used to monitor indoor air in post-fumigation dwellings. The residual chemicals studied were the fumigant, methyl bromide and its odor additive, chloropicrin (Cl3CNO2). Indoor measurements with a time resolution of 15 minutes were performed for two houses of different age. Our results indicate that the newer dwelling, which contained insulation materials, appeared to retain substantial amounts of the fumigant. The highest concentration measured for methyl bromide was 24 ppm, close to five times the allowed TLV (Threshold Limit Value) of 5 ppm. For chloropicrin, we also observed a surprising level of close to 0.4 ppm, four times the TLV of 0.1 ppm. It was noted that the concentrations were very susceptible to any air movement such as that due to door opening. Analyses utilizing the conventional adsorption-desorption/GC technique were performed simultaneously by the Worker Health and Safety Branch of the California EPA. Although the vast difference in time resolution of the two methods precludes direct comparison of the data, averaging our measurements over the same integration time indicated that the FTIR methods gives significantly higher values than those obtained by the conventional method, especially when the pollutant concentrations are low.

  20. Direct measurement of adsorbed gas redistribution in metal-organic frameworks.

    PubMed

    Chen, Ying-Pin; Liu, Yangyang; Liu, Dahuan; Bosch, Mathieu; Zhou, Hong-Cai

    2015-03-04

    Knowledge about the interactions between gas molecules and adsorption sites is essential to customize metal-organic frameworks (MOFs) as adsorbents. The dynamic interactions occurring during adsorption/desorption working cycles with several states are especially complicated. Even so, the gas dynamics based upon experimental observations and the distribution of guest molecules under various conditions in MOFs have not been extensively studied yet. In this work, a direct time-resolved diffraction structure envelope (TRDSE) method using sequential measurements by in situ synchrotron powder X-ray diffraction has been developed to monitor several gas dynamic processes taking place in MOFs: infusion, desorption, and gas redistribution upon temperature change. The electron density maps indicate that gas molecules prefer to redistribute over heterogeneous types of sites rather than to exclusively occupy the primary binding sites. We found that the gas molecules are entropically driven from open metal sites to larger neighboring spaces during the gas infusion period, matching the localized-to-mobile mechanism. In addition, the partitioning ratio of molecules adsorbed at each site varies with different temperatures, as opposed to an invariant distribution mode. Equally important, the gas adsorption in MOFs is intensely influenced by the gas-gas interactions, which might induce more molecules to be accommodated in an orderly compact arrangement. This sequential TRDSE method is generally applicable to most crystalline adsorbents, yielding information on distribution ratios of adsorbates at each type of site.

  1. Fibrinogen adsorption mechanisms at the gold substrate revealed by QCM-D measurements and RSA modeling.

    PubMed

    Kubiak, Katarzyna; Adamczyk, Zbigniew; Cieśla, Michał

    2016-03-01

    Adsorption kinetics of fibrinogen at a gold substrate at various pHs was thoroughly studied using the QCM-D method. The experimental were interpreted in terms of theoretical calculations performed according to the random sequential adsorption model (RSA). In this way, the hydration functions and water factors of fibrinogen monolayers were quantitatively evaluated at various pHs. It was revealed that for the lower range of fibrinogen coverage the hydration function were considerably lower than previously obtained for the silica sensor [33]. The lower hydration of fibrinogen monolayers on the gold sensor was attributed to its higher roughness. However, for higher fibrinogen coverage the hydration functions for both sensors became identical exhibiting an universal behavior. By using the hydration functions, the fibrinogen adsorption/desorption runs derived from QCM-D measurements were converted to the Γd vs. the time relationships. This allowed to precisely determine the maximum coverage that varied between 1.6mgm(-2) at pH 3.5 and 4.5mgm(-2) at pH 7.4 (for ionic strength of 0.15M). These results agree with theoretical eRSA modeling and previous experimental data derived by using ellipsometry, OWLS and TIRF. Various fibrinogen adsorption mechanisms were revealed by exploiting the maximum coverage data. These results allow one to develop a method for preparing fibrinogen monolayers of well-controlled coverage and molecule orientation.

  2. Direct Measurement of Adsorbed Gas Redistribution in Metal–Organic Frameworks

    SciTech Connect

    Chen, Ying-Pin; Liu, Yangyang; Liu, Dahuan; Bosch, Mathieu; Zhou, Hong-Cai

    2015-03-04

    Knowledge about the interactions between gas molecules and adsorption sites is essential to customize metal-organic frameworks (MOFs) as adsorbents. The dynamic interactions occurring during adsorption/desorption working cycles with several states are especially complicated. Even so, the gas dynamics based upon experimental observations and the distribution of guest molecules under various conditions in MOFs have not been extensively studied yet. In this work, a direct time-resolved diffraction structure envelope (TRDSE) method using sequential measurements by in situ synchrotron powder X-ray diffraction has been developed to monitor several gas dynamic processes taking place in MOFs: infusion, desorption, and gas redistribution upon temperature change. The electron density maps indicate that gas molecules prefer to redistribute over heterogeneous types of sites rather than to exclusively occupy the primary binding sites. We found that the gas molecules are entropically driven from open metal sites to larger neighboring spaces during the gas infusion period, matching the localized-to-mobile mechanism. In addition, the partitioning ratio of molecules adsorbed at each site varies with different temperatures, as opposed to an invariant distribution mode. Equally important, the gas adsorption in MOFs is intensely influenced by the gas–gas interactions, which might induce more molecules to be accommodated in an orderly compact arrangement. This sequential TRDSE method is generally applicable to most crystalline adsorbents, yielding information on distribution ratios of adsorbates at each type of site.

  3. Correlation of adsorption isotherms of hydrogen isotopes on mordenite adsorbents using reactive vacancy solution theory

    SciTech Connect

    Munakata, K.; Nakamura, A.; Kawamura, Y.

    2015-03-15

    The authors have applied the isotherm equations derived from the reactive vacancy solution theory (RVST) to correlation of experimental and highly non-ideal adsorption isotherms of hydrogen and deuterium on a mordenite adsorbent, and have examined the ability of the isotherm equations to match this correlation. Several isotherm equations such as Langmuir, Freundlich, Toth, Vacancy Solution Theory and so forth were also tested, but they did not work. For the Langmuir-Freundlich equation tests have indicated that its 'ability to correlate' of the adsorption isotherms is not satisfactory. For the multi-site Langmuir-Freundlich (MSLF) equation the correlation of the isotherms appears to be somewhat improved but remains unsatisfactory. The results show that the isotherm equations derived from RVST can better correlate the experimental isotherms.

  4. Isothermal or Multithermal Loop Plasma: to See or not to See

    NASA Astrophysics Data System (ADS)

    Kim, T.; Schmelz, J. T.

    2004-05-01

    Solar coronal imagers like TRACE, EIT on SOHO, and SXT on Yohkoh use a ratio of images taken through different passbands to determine the plasma temperature. This standard analysis uses an isothermal approximation and is used widely throughout the solar community. The accuracy and usefulness of this method depends in part on the nature of the observed plasma and, in particular, how truly isothermal it actually is. We have investigated this aspect of the temperature analysis by folding known plasma differential emission measure distributions through the various instrument responses provided in Solarsoft. We began with noiseless, strongly peaked Gaussian distributions, which represented the close-to-ideal case of an essentially isothermal plasma. We found that the standard analysis did an excellent job of reproducing the temperatures at the peak of the input distribution, even if this value was well off the peak of the instrument response function. This neat result begins to disappear, however, when we slowly broaden the Gaussian distributions or add a second peak to the differential emission measure distributions. For example, a broadened distribution produces temperature that is shifted by a small, yet noticeable amount from the center of the Gaussian. Introducing a second peak, of equal intensity as the first one, but at a different temperature, also recreates temperature different from the peak positions. Indeed, the temperatures that the instruments see lie somewhere in between where the Gaussian peaks actually occur. In the case where one peak is significantly more dominant than the other, the instruments seem to favor the temperature of the stronger peak. All in all, our results indicate that the standard analysis struggles to provide reliable temperature values for multithermal plasma. Solar physics research at the University of Memphis is supported by NASA grants NAG5-9783 and NAG5-12096.

  5. Dynamic wetting on a thin film of soluble polymer: effects of nonlinearities in the sorption isotherm.

    PubMed

    Dupas, Julien; Verneuil, Emilie; Ramaioli, Marco; Forny, Laurent; Talini, Laurence; Lequeux, Francois

    2013-10-08

    The wetting dynamics of a solvent on a soluble substrate interestingly results from the rates of the solvent transfers into the substrate. When a supported film of a hydrosoluble polymer with thickness e is wet by a spreading droplet of water with instantaneous velocity U, the contact angle is measured to be inversely proportionate to the product of thickness and velocity, eU, over two decades. As for many hydrosoluble polymers, the polymer we used (a polysaccharide) has a strongly nonlinear sorption isotherm φ(a(w)), where φ is the volume fraction of water in the polymer and aw is the activity of water. For the first time, this nonlinearity is accounted for in the dynamics of water uptake by the substrate. Indeed, by measuring the water content in the polymer around the droplet φ at distances as small as 5 μm, we find that the hydration profile exhibits (i) a strongly distorted shape that results directly from the nonlinearities of the sorption isotherm and (ii) a cutoff length ξ below which the water content in the substrate varies very slowly. The nonlinearities in the sorption isotherm and the hydration at small distances from the line were not accounted for by Tay et al., Soft Matter 2011, 7, 6953. Here, we develop a comprehensive description of the hydration of the substrate ahead of the contact line that encompasses the two water transfers at stake: (i) the evaporation-condensation process by which water transfers into the substrate through the atmosphere by the condensation of the vapor phase, which is fed by the evaporation from the droplet itself, and (ii) the diffusion of liquid water along the polymer film. We find that the eU rescaling of the contact angle arises from the evaporation-condensation process at small distances. We demonstrate why it is not modified by the second process.

  6. Detection of Pathogen-Specific Antibodies by Loop-Mediated Isothermal Amplification

    PubMed Central

    Burbulis, Ian E.; Yamaguchi, Kumiko; Nikolskaia, Olga V.; Prigge, Sean T.; Magez, Stefan; Bisser, Sylvie; Reller, Megan E.

    2015-01-01

    Loop-mediated isothermal amplification (LAMP) is a method for enzymatically replicating DNA that has great utility for clinical diagnosis at the point of care (POC), given its high sensitivity, specificity, speed, and technical requirements (isothermal conditions). Here, we adapted LAMP for measuring protein analytes by creating a protein-DNA fusion (referred to here as a “LAMPole”) that attaches oligonucleotides (LAMP templates) to IgG antibodies. This fusion consists of a DNA element covalently bonded to an IgG-binding polypeptide (protein L/G domain). In our platform, LAMP is expected to provide the most suitable means for amplifying LAMPoles for clinical diagnosis at the POC, while quantitative PCR is more suitable for laboratory-based quantification of antigen-specific IgG abundance. As proof of concept, we measured serological responses to a protozoan parasite by quantifying changes in solution turbidity in real time. We observed a >6-log fold difference in signal between sera from vaccinated versus control mice and in a clinical patient sample versus a control. We assert that LAMPoles will be useful for increasing the sensitivity of measuring proteins, whether it be in a clinical laboratory or in a field setting, thereby improving acute diagnosis of a variety of infections. PMID:25651920

  7. Dissipative Particle Dynamics at Isothermal, Isobaric Conditions Using Shardlow-Like Splitting Algorithms

    DTIC Science & Technology

    2013-09-01

    Dissipative Particle Dynamics at Isothermal, Isobaric Conditions Using Shardlow-Like Splitting Algorithms by John K. Brennan and Martin...5066 ARL-TR-6583 September 2013 Dissipative Particle Dynamics at Isothermal, Isobaric Conditions Using Shardlow-Like Splitting...From - To) May 2010–February 2013 4. TITLE AND SUBTITLE Dissipative Particle Dynamics at Isothermal, Isobaric Conditions Using Shardlow-Like

  8. Loop-mediated isothermal amplification of single pollen grains.

    PubMed

    Bektaş, Ali; Chapela, Ignacio

    2014-08-01

    The polymerase chain reaction (PCR) has been a reliable and fruitful method for many applications in ecology. Nevertheless, unavoidable technical and instrumental requirements of PCR have limited its widespread application in field situations. The recent development of isothermal DNA amplification methods provides an alternative to PCR, which circumvents key limitations of PCR for direct amplification in the field. Being able to analyze DNA in the pollen cloud of an ecosystem would provide very useful ecological information, yet would require a field-enabled, high-throughput method for this potential to be realized. Here, we demonstrate the applicability of the loop-mediated DNA amplification method (LAMP), an isothermal DNA amplification technique, to be used in pollen analysis. We demonstrate that LAMP can provide a reliable method to identify species from the pollen cloud, and that it can amplify successfully with sensitivity down to single pollen grains, thus opening the possibility of field-based, high-throughput analysis.

  9. Non-isothermal reduction kinetics of titanomagnetite by hydrogen

    NASA Astrophysics Data System (ADS)

    Dang, Jie; Zhang, Guo-hua; Hu, Xiao-jun; Chou, Kuo-chih

    2013-12-01

    Reduction of titanomagnetite (TTM) powders by H2-Ar gas mixtures was investigated under a non-isothermal condition by using a thermogravimetric analysis system. It was found that non-isothermal reduction of TTM proceeded via a dual-reaction mechanism. The first reaction was reduction of TTM to wüstite and ilmenite, whereas the second one was reduction of wüstite and ilmenite to iron and titanium dioxide. By using a new model for the dual reactions, which was in an analytical form and incorporated different variables, such as time, temperature, particle size, and hydrogen partial pressure, rate-controlling steps for the dual reactions were obtained with the apparent activation energies calculated to be 90-98 and 115-132 kJ/mol for the first and second reactions, respectively.

  10. Chip Scale Package Integrity Assessment by Isothermal Aging

    NASA Technical Reports Server (NTRS)

    Ghaffarian, Reza

    1998-01-01

    Many aspects of chip scale package (CSP) technology, with focus on assembly reliability characteristics, are being investigated by the JPL-led consortia. Three types of test vehicles were considered for evaluation and currently two configurations have been built to optimize attachment processes. These test vehicles use numerous package types. To understand potential failure mechanisms of the packages, particularly solder ball attachment, the grid CSPs were subjected to environmental exposure. Package I/Os ranged from 40 to nearly 300. This paper presents both as assembled, up to 1, 000 hours of isothermal aging shear test results and photo micrographs, and tensile test results before and after 1,500 cycles in the range of -30/100 C for CSPs. Results will be compared to BGAs with the same the same isothermal aging environmental exposures.

  11. Isothermal dehydration of thin films of water and sugar solutions

    SciTech Connect

    Heyd, R.; Rampino, A.; Bellich, B.; Elisei, E.; Cesàro, A.; Saboungi, M.-L.

    2014-03-28

    The process of quasi-isothermal dehydration of thin films of pure water and aqueous sugar solutions is investigated with a dual experimental and theoretical approach. A nanoporous paper disk with a homogeneous internal structure was used as a substrate. This experimental set-up makes it possible to gather thermodynamic data under well-defined conditions, develop a numerical model, and extract needed information about the dehydration process, in particular the water activity. It is found that the temperature evolution of the pure water film is not strictly isothermal during the drying process, possibly due to the influence of water diffusion through the cellulose web of the substrate. The role of sugar is clearly detectable and its influence on the dehydration process can be identified. At the end of the drying process, trehalose molecules slow down the diffusion of water molecules through the substrate in a more pronounced way than do the glucose molecules.

  12. Multi-stage, isothermal CO preferential oxidation reactor

    DOEpatents

    Skala, Glenn William; Brundage, Mark A.; Borup, Rodney Lynn; Pettit, William Henry; Stukey, Kevin; Hart-Predmore, David James; Fairchok, Joel

    2000-01-01

    A multi-stage, isothermal, carbon monoxide preferential oxidation (PrOx) reactor comprising a plurality of serially arranged, catalyzed heat exchangers, each separated from the next by a mixing chamber for homogenizing the gases exiting one heat exchanger and entering the next. In a preferred embodiment, at least some of the air used in the PrOx reaction is injected directly into the mixing chamber between the catalyzed heat exchangers.

  13. Non-isothermal buckling behavior of viscoplastic shell structures

    NASA Technical Reports Server (NTRS)

    Riff, Richard; Simitses, G. J.

    1988-01-01

    Described are the mathematical model and solution methodologies for analyzing the structural response of thin, metallic elasto-viscoplastic shell structures under large thermomechanical loads and their non-isothermal buckling behavior. Among the system responses associated with these loads and conditions are snap-through, buckling, thermal buckling, and creep buckling. This geometric and material nonlinearities (of high order) can be anticipated and are considered in the model and the numerical treatment.

  14. Plant Canopy Temperature and Heat Flux Profiles: What Difference Does an Isothermal Skin Make?

    NASA Astrophysics Data System (ADS)

    Crago, R. D.; Qualls, R. J.

    2015-12-01

    Land surface temperature Ts plays a vital role in the determination of sensible (H) and latent heat flux, upwelling long-wave radiation, and ground heat flux. While it is widely recognized that there is a range of skin temperatures represented in even a homogeneous canopy, it is often necessary or convenient to treat the surface as isothermal. This study investigates, at the sub-canopy scale, the implications of assuming that a canopy is isothermal. The focus is on profiles within the canopy of air, foliage, and soil surface temperature, and of sensible and latent heat flux source strength. Data from a dense grassland at the Southern Great Plains experiment in 1997 (SGP97) were used to assess the ability of a multi-layer canopy model to match measured sensible and latent heat fluxes along with radiometric surface temperatures. In its standard mode, the model solves the energy balance for each canopy layer and uses Localized Near Field (LNF) theory to model the turbulent transport. The results suggest the model captures the most important features of canopy flux generation and transport, and support its use to investigate scalar profiles within canopies. For 112 data points at SGP97, the model produced realistic temperature and sensible heat flux source profiles. In addition, it was run in a mode that seeks the isothermal (soil and foliage) skin temperature (Ti) that provides the same Hproduced by the model in its standard mode. This produces profiles of air and foliage temperature and of sensible heat source strength that differ significantly from profiles from the standard mode. Based on these simulations, realistic canopies may have a mixture of positive and negative sensible heat flux sources at various heights, typically with large contributions from the soil surface. There is frequently a discontinuity between foliage temperatures near the soil and the actual soil surface temperature. For isothermal canopies, heat sources at all levels had the same sign and

  15. A hybrid optimization approach in non-isothermal glass molding

    NASA Astrophysics Data System (ADS)

    Vu, Anh-Tuan; Kreilkamp, Holger; Krishnamoorthi, Bharathwaj Janaki; Dambon, Olaf; Klocke, Fritz

    2016-10-01

    Intensively growing demands on complex yet low-cost precision glass optics from the today's photonic market motivate the development of an efficient and economically viable manufacturing technology for complex shaped optics. Against the state-of-the-art replication-based methods, Non-isothermal Glass Molding turns out to be a promising innovative technology for cost-efficient manufacturing because of increased mold lifetime, less energy consumption and high throughput from a fast process chain. However, the selection of parameters for the molding process usually requires a huge effort to satisfy precious requirements of the molded optics and to avoid negative effects on the expensive tool molds. Therefore, to reduce experimental work at the beginning, a coupling CFD/FEM numerical modeling was developed to study the molding process. This research focuses on the development of a hybrid optimization approach in Non-isothermal glass molding. To this end, an optimal configuration with two optimization stages for multiple quality characteristics of the glass optics is addressed. The hybrid Back-Propagation Neural Network (BPNN)-Genetic Algorithm (GA) is first carried out to realize the optimal process parameters and the stability of the process. The second stage continues with the optimization of glass preform using those optimal parameters to guarantee the accuracy of the molded optics. Experiments are performed to evaluate the effectiveness and feasibility of the model for the process development in Non-isothermal glass molding.

  16. Integration of isothermal amplification methods in microfluidic devices: Recent advances.

    PubMed

    Giuffrida, Maria Chiara; Spoto, Giuseppe

    2017-04-15

    The integration of nucleic acids detection assays in microfluidic devices represents a highly promising approach for the development of convenient, cheap and efficient diagnostic tools for clinical, food safety and environmental monitoring applications. Such tools are expected to operate at the point-of-care and in resource-limited settings. The amplification of the target nucleic acid sequence represents a key step for the development of sensitive detection protocols. The integration in microfluidic devices of the most popular technology for nucleic acids amplifications, polymerase chain reaction (PCR), is significantly limited by the thermal cycling needed to obtain the target sequence amplification. This review provides an overview of recent advances in integration of isothermal amplification methods in microfluidic devices. Isothermal methods, that operate at constant temperature, have emerged as promising alternative to PCR and greatly simplify the implementation of amplification methods in point-of-care diagnostic devices and devices to be used in resource-limited settings. Possibilities offered by isothermal methods for digital droplet amplification are discussed.

  17. Micromechanisms of thermomechanical fatigue: A comparison with isothermal fatigue

    NASA Technical Reports Server (NTRS)

    Bill, R. C.

    1986-01-01

    Thermomechanical Fatigue (TMF) experiments were conducted on Mar-M 200, B-1900, and PWA-1480 (single crystals) over temperature ranges representative of gas turbine airfoil environments. The results were examined from both a phenomenological basis and a micromechanical basis. Depending on constituents present in the superalloy system, certain micromechanisms dominated the crack initiation process and significantly influenced the TMF lives as well as sensitivity of the material to the type TMF cycle imposed. For instance, high temperature cracking around grain boundary carbides in Mar-M 200 resulted in short in-phase TMF lives compared to either out-of-phase or isothermal lives. In single crystal PWA-1480, the type of coating applied was seen to be the controlling factor in determining sensitivity to the type of TMF cycle imposed. Micromechanisms of deformation were observed over the temperature range of interest to the TMF cycles, and provided some insight as to the differences between TMF damage mechanisms and isothermal damage mechanisms. Finally, the applicability of various life prediction models to TMF results was reviewed. Current life prediction models based on isothermal data must be modified before being generally applied to TMF.

  18. Isothermal titration calorimetry: general formalism using binding polynomials.

    PubMed

    Freire, Ernesto; Schön, Arne; Velazquez-Campoy, Adrian

    2009-01-01

    The theory of the binding polynomial constitutes a very powerful formalism by which many experimental biological systems involving ligand binding can be analyzed under a unified framework. The analysis of isothermal titration calorimetry (ITC) data for systems possessing more than one binding site has been cumbersome because it required the user to develop a binding model to fit the data. Furthermore, in many instances, different binding models give rise to identical binding isotherms, making it impossible to discriminate binding mechanisms using binding data alone. One of the main advantages of the binding polynomials is that experimental data can be analyzed by employing a general model-free methodology that provides essential information about the system behavior (e.g., whether there exists binding cooperativity, whether the cooperativity is positive or negative, and the magnitude of the cooperative energy). Data analysis utilizing binding polynomials yields a set of binding association constants and enthalpy values that conserve their validity after the correct model has been determined. In fact, once the correct model is validated, the binding polynomial parameters can be immediately translated into the model specific constants. In this chapter, we describe the general binding polynomial formalism and provide specific theoretical and experimental examples of its application to isothermal titration calorimetry.

  19. Intrinsic flexibility of the zeolitic imidazolate framework ZIF-7 unveiled by CO₂ adsorption and Hg intrusion.

    PubMed

    Pera-Titus, Marc

    2014-06-06

    ZIF-7, built as an assembly of Zn(II) centers and benzimidazolate ligands, shows prominent S-shaped isotherms upon CO2 adsorption that can be attributed to sorbate-induced gate-opening phenomena involving a narrow-to-large pore phase transition. This peculiar sorption pattern can be captured via the formulation of thermodynamic isotherms, providing a direct enthalpic and entropic view of the gate-opening process. Relying on such an approach, an energy barrier with preferential enthalpic nature for CO2 adsorption/desorption in the gate-opening region could be unveiled. Moreover, the elastic energy involved during the gate-opening process was revisited to 1.4-2.8 kJ mol(-1) of solid in the temperature range 273-323 K, matching the value measured by isostatic compression of a ZIF-7_lp sample filled with DMF and showing a dominant entropic contribution.

  20. Signal and binding. II. Converting physico-chemical responses to macromolecule-ligand interactions into thermodynamic binding isotherms.

    PubMed

    Bujalowski, Wlodzimierz; Jezewska, Maria J; Bujalowski, Paul J

    2017-03-01

    Physico-chemical titration techniques are the most commonly used methods in characterizing molecular interactions. These methods are mainly based on spectroscopic, calorimetric, hydrodynamic, etc., measurements. However, truly quantitative physico-chemical methods are absolutely based on the determination of the relationship between the measured signal and the total average degree of binding in order to obtain meaningful interaction parameters. The relationship between the observed physico-chemical signal of whatever nature and the degree of binding must be determined and not assumed, based on some ad hoc intuitive relationship/model, leading to determination of the true binding isotherm. The quantitative methods reviewed and discussed here allow an experimenter to rigorously determine the degree of binding and the free ligand concentration, i.e., they lead to the construction of the thermodynamic binding isotherm in a model-independent fashion from physico-chemical titration curves.

  1. Determination of kinetics and heat of hydrolysis for non-homogenous substrate by isothermal calorimetry.

    PubMed

    Tafoukt, D; Soric, A; Sigoillot, J-C; Ferrasse, J-H

    2017-04-01

    The competitiveness of the second-generation bioethanol by biotechnological process requires an effective and quantitative control of biochemical reactions. In this study, the potential of isothermal calorimetry technique to measure heat and kinetics of a non-homogeneous substrate enzymatic hydrolysis is intended. Using this technique, optimum temperature of the enzymes used for lignocellulosic molecules hydrolysis was determined. Thus, the amount of substrate-to-enzyme ratio was highlighted as an important parameter of the hydrolysis yield. Furthermore, a new enzymes' cocktail efficiency consisting of a mix of cellulases and cellobiose dehydrogenase (CDH) was qualified by this technique. The results showed that this cocktail allowed the production of a high amount of gluconic acid that could improve the attractiveness of these second-generation biofuels. From the set of experiments, the hydrolysis heat of wheat straw was derived and a meaningful value of -32.2 ± 3.2 J g(-1) (gram reducing sugars product) is calculated. Then, isothermal measurements were used to determine kinetic constants of the cellulases and CDH mix on wheat straw. Results showed that this enzyme cocktail has an optimal rate at 45 °C in the range of temperatures tested (40-55 °C).

  2. Isothermal melt processing of Bi 2Sr 2CaCu 2O y round wire

    NASA Astrophysics Data System (ADS)

    Holesinger, T. G.; Johnson, J. M.; Coulter, J. Y.; Safar, H.; Phillips, D. S.; Bingert, J. F.; Bingham, B. L.; Maley, M. P.; Smith, J. L.; Peterson, D. E.

    1995-02-01

    Isothermal melt processing (IMP) has been used to process oxide-powder-in-tube (OPIT) Bi 2Sr 2CaCu 2O y (Bi-2212) round wire with high critical current densities. Isothermal melt processing is a process in which the melting and solidification steps are carried out at the same temperature by melting in an inert atmosphere and solidifying in a high oxygen partial pressure. For each particular oxidizing atmosphere used during IMP, the highest critical currents were found in wires processed in the temperature range between 790°C to 820°C. The highest critical current densities obtained in 1.0, 0.75, and 0.5 mm diameter wires at 4 K and self-field were 4.3 × 10 4, 6.0 × 10 4, and 6.0 × 10 4 A/cm 2, respectively. Transport measurements on a 0.75 mm wire revealed that critical current densities in excess of 3 × 10 4 A/cm 2 could be achieved at 4 K in applied magnetic fields of 9 T. Anisotropy measurements and SEM analysis were used to examine the radial alignment of the Bi-2212 grain colonies within the wires.

  3. Zero-Kelvin Compression Isotherms of the Elements 1 ≤ Z ≤ 92 to 100 GPa

    NASA Astrophysics Data System (ADS)

    Young, David A.; Cynn, Hyunchae; Söderlind, Per; Landa, Alexander

    2016-12-01

    Most of the chemical elements have now been compressed close to or above 100 GPa (1 Mbar) pressure in diamond-anvil cells and the pressure-volume room-temperature isotherms have been measured. We collect these data and use simple lattice-dynamics models to reduce the isotherms to 0 K. We have extended the published work by making new diamond-anvil-cell measurements on Cr and Rh, and by conducting density-functional calculations on the elements Po, At, Rn, Fr, Ra, and Ac. The 0 K data are tabulated for all elements 1 ≤ Z ≤ 92 and 0 ≤ P ≤ 100 GPa. These data are useful for generating wide-range equation of state models and for studying the stability of chemical compounds at high pressure ("Megabar chemistry"). The tables presented here are intended to be reference thermodynamic tables for use in high-pressure research. Further experimental and theoretical work will be needed to extend the tables to higher pressure and to improve accuracy.

  4. Waste Isolation Safety Assessment Program. Task 4. Third Contractor Information Meeting. [Adsorption-desorption on geological media

    SciTech Connect

    Not Available

    1980-06-01

    The study subject of this meeting was the adsorption and desorption of radionuclides on geologic media under repository conditions. This volume contans eight papers. Separate abstracts were prepared for all eight papers. (DLC)

  5. Valorization of biosorbent obtained from a forestry waste: Competitive adsorption, desorption and transport of Cd, Cu, Ni, Pb and Zn.

    PubMed

    Cutillas-Barreiro, Laura; Paradelo, Remigio; Igrexas-Soto, Alba; Núñez-Delgado, Avelino; Fernández-Sanjurjo, María José; Álvarez-Rodriguez, Esperanza; Garrote, Gil; Nóvoa-Muñoz, Juan Carlos; Arias-Estévez, Manuel

    2016-09-01

    Bark from Pinus pinaster is one of the most abundant forestry wastes in Europe, and among the proposed technologies for its reutilization, the removal of heavy metals from wastewater has been gaining increasing attention. In this work, we have studied the performance of pine bark for heavy metal biosorption on competitive systems. Pb, Cu, Ni, Zn and Cd sorption and desorption at equilibrium were studied in batch experiments, whereas transport was studied in column experiments. Batch experiments were performed adding simultaneously different concentrations (0.08-3.15mM) of two or more metals in solution to pine bark samples. Column experiments were performed with 10mM solutions of two metals or a 5mM solution of the five metals. In general, the results under competitive conditions were different to those obtained in monoelemental experiments. The multi-metal batch experiments showed the adsorption sequence Pb≈Cu>Cd>Zn>Ni for lower metal doses, Pb>Cu>Cd>Zn>Ni for intermediate doses, and Pb>Cu>Cd≈Zn≈Ni for high metal doses. Desorption followed the sequence PbCu>Zn>Cd>Ni. The presence of a second metal affected the transport of all the elements studied except Pb, and confirmed the strong influence of Pb and Cu on the retention of the other metals. These results can help to appropriately design decontamination systems using this forestry waste.

  6. Quantitative and qualitative evaluation of adsorption/desorption of bovine serum albumin on hydrophilic and hydrophobic surfaces.

    PubMed

    Jeyachandran, Y L; Mielczarski, E; Rai, B; Mielczarski, J A

    2009-10-06

    We studied the adsorption of bovine serum albumin (BSA) from phosphate-buffered saline (pH 7.4) to hydrophilic and hydrophobic surfaces. Attenuated total reflection Fourier transform infrared spectroscopy, supported by spectral simulation, allowed us to determine with high precision the amount of BSA adsorbed (surface coverage) and its structural composition. The adsorbed BSA molecules had an alpha-helical structure on both hydrophobic and hydrophilic surfaces but had different molecular conformations and adsorption strengths on the two types of surface. Adsorption of BSA was saturated at around 50% surface coverage on the hydrophobic surface, whereas on the hydrophilic surface the adsorption reached 95%. The BSA molecules adsorbed to the hydrophilic surface with a higher interaction strength than to the hydrophobic surface. Very little adsorbed BSA could be desorbed from the hydrophilic surface, even using 0.1 M sodium dodecyl sulfate, a strong detergent solution. The formation of BSA-phosphate surface complexes was observed under different BSA adsorption conditions on hydrophobic and hydrophilic surfaces. The formation of these complexes correlated with the more efficient blocking of nonspecific interactions by the adsorbed BSA layer. Results from the molecular modeling of BSA interactions with hydrophobic and hydrophilic surfaces support the spectroscopic findings.

  7. Adsorption-desorption mechanism of phosphate by immobilized nano-sized magnetite layer: interface and bulk interactions.

    PubMed

    Zach-Maor, Adva; Semiat, Raphael; Shemer, Hilla

    2011-11-15

    Phosphate adsorption mechanism by a homogenous porous layer of nano-sized magnetite particles immobilized onto granular activated carbon (nFe-GAC) was studied for both interface and bulk structures. X-ray Photoelectron Spectroscopy (XPS) analysis revealed phosphate bonding to the nFe-GAC predominantly through bidentate surface complexes. It was established that phosphate was adsorbed to the magnetite surface mainly via ligand exchange mechanism. Initially, phosphate was adsorbed by the active sites on the magnetite surface, after which it diffused into the interior of the nano-magnetite layer, as indicated by intraparticle diffusion model. This diffusion process continues regardless of interface interactions, revealing some of the outer magnetite binding sites for further phosphate uptake. Desorption, using NaOH solution, was found to be predominantly a surface reaction, at which hydroxyl ions replace the adsorbed phosphate ions only at the surface outer biding sites. Five successive fix-bed adsorption/regeneration cycles were successfully applied, without significant reduction in the nFe-GAC adsorption capacity and at high regeneration efficiency.

  8. DEVELOPMENT OF A SURROGATE SEDIMENT TO STUDY THE MECHANISMS RESPONSIBLE FOR ADSORPTION/DESORPTION HYSTERESIS. (R825513C016)

    EPA Science Inventory

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

  9. Physicochemical characteristics of epichlorohydrin, pyridine and trimethylamine functionalized cotton stalk and its adsorption/desorption properties for perchlorate.

    PubMed

    Xu, Xing; Gao, Baoyu; Huang, Xin; Ling, Jianya; Song, Wen; Yue, Qinyan

    2015-02-15

    Amine-impregnated cotton stalk (AICS) prepared by the reaction of cotton stalk with epichlorohydrin, pyridine and trimethylamine was used as the effective adsorbent for perchlorate removal. Solid-state (13)C NMR spectra, FT-IR, BET principle and element analysis provided evidence that amine groups have been successfully introduced onto the surface of AICS. The adsorption capacity of perchlorate by AICS was about 83.8 mg g(-1) at 20 °C. It was decreased to 80.6 mg g(-1) as the temperature was increased to 40 °C, which implied an exothermic nature for this adsorption process. Perchlorate adsorption capacity in fixed-bed column was optimum at neutral condition (pH: 6.0, 70.8 mg g(-1)) with bed depth of 2.7 cm and flow rate of 5 ml min(-1). In addition, chemical regeneration by HCl or NaOH (0.1 mol L(-1)) achieved more than 95% of regeneration efficiency. Biological regeneration of the saturated AICS with mixed bacteria has shown its merit with regeneration and biological perchlorate destruction simultaneously although its regeneration efficiency was only 56.8-74.8%.

  10. Adsorption-desorption behavior of magnetic amine/Fe3O4 functionalized biopolymer resin towards anionic dyes from wastewater.

    PubMed

    Song, Wen; Gao, Baoyu; Xu, Xing; Xing, Lulu; Han, Shuang; Duan, Pijun; Song, Wuchang; Jia, Ruibao

    2016-06-01

    In this work, a new kind of magnetic amine/Fe3O4 functionalized biopolymer resin (amine/Fe3O4-resin) was prepared and applied to remove various anionic dyes from water. Methyl Orange (MO), Reactive Brilliant Red K-2BP (RBR) and Acid Red 18 (AR) were selected as the typical anionic dye for this research. Meanwhile, amine/Fe3O4-resin was characterized by VSM, XRD, FT-IR, SEM, TEM and XPS. Three anionic dyes removed by amine/Fe3O4-resin were investigated using batch adsorption technique, and the parameters including adsorbent dosage, pH, contact time and temperature were considered. Due to a large number of amine groups and high surface areas, amine/Fe3O4-resin exhibited a remarkably high adsorption capacity for all three dyes, reaching 101.0mg/g, 222.2mg/g and 99.4mg/g for RBR, MO and AR at 25°C, respectively. The pseudo second order model and Langmuir model agreed well with the experimental data, and regeneration experiments indicated its merit of separability and reusability.

  11. Adsorption/desorption of low concentration of carbonyl sulfide by impregnated activated carbon under micro-oxygen conditions.

    PubMed

    Wang, Xueqian; Qiu, Juan; Ning, Ping; Ren, Xiaoguang; Li, Ziyan; Yin, Zaifei; Chen, Wei; Liu, Wei

    2012-08-30

    Activated carbon modified with different impregnants has been studied for COS removal efficiency under micro-oxygen conditions. Activated carbon modified with Cu(NO(3))(2)-CoPcS-KOH (denoted as Cu-Co-KW) is found to have markedly enhanced adsorption purification ability. In the adsorption purification process, the reaction temperature, oxygen concentration, and relative humidity of the gas are determined to be three crucial factors. A breakthrough of 43.34 mg COS/g adsorbent at 60°С and 30% relative humidity with 1.0% oxygen is shown in Cu-Co-KW for removing COS. The structures of the activated carbon samples are characterized using nitrogen adsorption, and their surface chemical structures are analyzed with X-ray photoelectron spectroscopy (XPS). Modification of Cu(NO(3))(2)-CoPcS-KOH appears to improve the COS removal capacity significantly, during which, SO(4)(2-) is presumably formed, strongly adsorbed, and present in the micropores ranging from 0.7 to 1.5 nm. TPD is used to identify the products containing sulfur species on the carbon surface, where SO(2) and COS are detected in the effluent gas generated from exhausted Cu-Co-KW (denoted Cu-Co-KWE). According to the current study results, the activated carbon impregnated with Cu(NO(3))(2)-CoPcS-KOH promises a good candidate for COS adsorbent, with the purified gas meeting requirements for desirable chemical feed stocks.

  12. A DIFFUSE-INTERFACE APPROACH FOR MODELING TRANSPORT, DIFFUSION AND ADSORPTION/DESORPTION OF MATERIAL QUANTITIES ON A DEFORMABLE INTERFACE*

    PubMed Central

    Teigen, Knut Erik; Li, Xiangrong; Lowengrub, John; Wang, Fan; Voigt, Axel

    2010-01-01

    A method is presented to solve two-phase problems involving a material quantity on an interface. The interface can be advected, stretched, and change topology, and material can be adsorbed to or desorbed from it. The method is based on the use of a diffuse interface framework, which allows a simple implementation using standard finite-difference or finite-element techniques. Here, finite-difference methods on a block-structured adaptive grid are used, and the resulting equations are solved using a non-linear multigrid method. Interfacial flow with soluble surfactants is used as an example of the application of the method, and several test cases are presented demonstrating its accuracy and convergence. PMID:21373370

  13. Cellulase stability, adsorption/desorption profiles and recycling during successive cycles of hydrolysis and fermentation of wheat straw.

    PubMed

    Rodrigues, Ana Cristina; Felby, Claus; Gama, Miguel

    2014-03-01

    The potential of enzymes recycling after hydrolysis and fermentation of wheat straw under a variety of conditions was investigated, monitoring the activity of the enzymes in the solid and liquid fractions, using low molecular weight substrates. A significant amount of active enzymes could be recovered by recycling the liquid phase. In the early stage of the process, enzyme adsorb to the substrate, then gradually returning to the solution as the saccharification proceeds. At 50°C, normally regarded as an acceptable operational temperature for saccharification, the enzymes (Celluclast) significantly undergo thermal deactivation. The hydrolysis yield and enzyme recycling efficiency in consecutive recycling rounds can be increased by using high enzyme loadings and moderate temperatures. Indeed, the amount of enzymes in the liquid phase increased with its thermostability and hydrolytic efficiency. This study contributes towards developing effective enzymes recycling strategies and helping to reduce the enzyme costs on bioethanol production.

  14. Freundlich and dual Langmuir isotherm models for predicting 137Cs binding on Savannah River Site soils.

    PubMed

    Goto, Momoko; Rosson, Robert; Wampler, J Marion; Elliott, W Crawford; Serkiz, Steven; Kahn, Bernd

    2008-01-01

    Distribution of 137Cs and stable cesium between aqueous solution and near-surface soil samples from five locations at the Savannah River Site was measured in order to develop a predictive model for 137Cs uptake by the soils. Sorption of 137Cs in these soils appears to be mostly by hydroxy-interlayered vermiculite. Batch sorption studies with 4 d for equilibration were conducted at three cesium concentrations and at two backing electrolyte (NaNO3) concentrations. The soil-solution mixtures were pH-adjusted to evaluate the effects of pH on cesium sorption. Sorbed cesium was related to the equilibrium aqueous cesium concentrations by a Freundlich isotherm model. Model fits on logarithmic scales have a common slope of 0.60 +/- 0.03 for acidic mixtures and 0.69 +/- 0.04 for neutralized mixtures but have unique intercepts that are influenced by backing electrolyte concentration and pH. An ion-exchange model is proposed that pertains to all five soils and relates the Freundlich isotherms to the cation exchange capacity of soil and the aqueous concentrations of cesium, sodium, and a third ionic species that was hydrogen in the acidic mixtures and potassium in the neutralized mixtures. Model fits are consistent with Kd values in the entire range of 5-2,300 L kg(-1) determined for the five soil types. As an alternate model, dual Langmuir isotherms were fitted to the data. The results suggest cesium sorption by (1) relatively few interlayer-wedge sites, highly selective for cesium, and (2) much more abundant but less selective sites on internal and external planar surfaces.

  15. Determination of solubility coefficients and sorption isotherms of gases in polymers by means of isothermal desorption with a chromatographic detection

    NASA Astrophysics Data System (ADS)

    Nizhegorodova, Yu. A.; Belov, N. A.; Berezkin, V. G.; Yampol'skii, Yu. P.

    2015-03-01

    A new method is developed for determining the solubility coefficients of gases in polymers that combines the advantages of the static and dynamic approaches to sorption estimation and allows us to determine the equilibrium characteristics of sorption for small quantities of samples (0.1-0.2 g) and low (<0.5 atm) partial pressures of the investigated gas. Sorption isotherms and solubility coefficients of nitrogen, oxygen, carbon dioxide, methane, ethane, and propane in polyvinyltrimethylsilane are obtained, and in poly[3,4-bis(trimethylsilyl)-tricyclononene-7], polyhexafluoropropylene, and OH-containing polyimide for the first time ever. It is shown that the sorption isotherms of gases for all of the gas-polymer systems in the investigated range of pressures are linear. The obtained solubility coefficients are compared to data for other polymers studied earlier.

  16. Label-Free Determination of the Dissociation Constant of Small Molecule-Aptamer Interaction by Isothermal Titration Calorimetry.

    PubMed

    Vogel, Marc; Suess, Beatrix

    2016-01-01

    Isothermal titration calorimetry (ITC) is a powerful label-free technique to determine the binding constant as well as thermodynamic parameters of a binding reaction and is therefore well suited for the analysis of small molecule-RNA aptamer interaction. We will introduce you to the method and present a protocol for sample preparation and the calorimetric measurement. A detailed note section will point out useful tips and pitfalls.

  17. Stream isotherm shifts from climate change and implications for distributions of ectothermic organisms.

    PubMed

    Isaak, Daniel J; Rieman, Bruce E

    2013-03-01

    Stream ecosystems are especially vulnerable to climate warming because most aquatic organisms are ectothermic and live in dendritic networks that are easily fragmented. Many bioclimatic models predict significant range contractions in stream biotas, but subsequent biological assessments have rarely been done to determine the accuracy of these predictions. Assessments are difficult because model predictions are either untestable or so imprecise that definitive answers may not be obtained within timespans relevant for effective conservation. Here, we develop the equations for calculating isotherm shift rates (ISRs) in streams that can be used to represent historic or future warming scenarios and be calibrated to individual streams using local measurements of stream temperature and slope. A set of reference equations and formulas are provided for application to most streams. Example calculations for streams with lapse rates of 0.8 °C/100 m and long-term warming rates of 0.1-0.2 °C decade(-1) indicate that isotherms shift upstream at 0.13-1.3 km decade(-1) in steep streams (2-10% slope) and 1.3-25 km decade(-1) in flat streams (0.1-1% slope). Used more generally with global scenarios, the equations predict isotherms shifted 1.5-43 km in many streams during the 20th Century as air temperatures increased by 0.6 °C and would shift another 5-143 km in the first half of the 21st Century if midrange projections of a 2 °C air temperature increase occur. Variability analysis suggests that short-term variation associated with interannual stream temperature changes will mask long-term isotherm shifts for several decades in most locations, so extended biological monitoring efforts are required to document anticipated distribution shifts. Resampling of historical sites could yield estimates of biological responses in the short term and should be prioritized to validate bioclimatic models and develop a better understanding about the effects of temperature increases

  18. Non-isothermal infiltration and tracer transport experiments on large soil columns

    NASA Astrophysics Data System (ADS)

    Sobotkova, Martina; Snehota, Michal; Cejkova, Eva; Tesar, Miroslav

    2016-04-01

    Isothermal and non-isothermal infiltration experiments were carried out in the laboratory on large undisturbed soil columns (19 cm in diameter, 25 cm high) taken at the experimental catchments Roklan (Sumava Mountains, Czech Republic) and Uhlirska (Jizera Mountains, Czech republic). The aim of the study was twofold. The first goal was to obtain water flow and heat transport data for indirect parameter estimation of thermal and hydraulic properties of soils from two sites by inverse modelling. The second aim was to investigate the extent of impact of the temperature on saturated hydraulic conductivity (Ksat) and dispersity of solute transport. The temperature of infiltrating water in isothermal experiment (20 °C) was equal to the initial temperature of the sample. For non-isothermal experiment water temperature was 5°C, while the initial temperature of the sample was 20°C as in previous case. The experiment was started by flooding the sample surface. Then water level was maintained at constant level throughout the infiltration run using the optical sensor and peristaltic pump. Concentration pulse of deuterium was applied at the top of the soil sample, during the steady state flow. Initial pressure head in the sample was close to field capacity. Two tensiometers and two temperature sensors were inserted in the soil sample in two depths (9 and 15 cm below the top of the sample). Two additional temperature sensors monitored the temperature entering and leaving the samples. Water drained freely through the perforated plate at the bottom of sample by gravity. Inflow and outflow water flux densities, water pressure heads and soil temperatures were monitored continuously during experiments. Effluent was sampled in regular time intervals and samples were analysed for deuterium concentrations by laser spectroscopy to develop breakthrough curves. The outcome of experiments are the series of measured water fluxes, pressure heads and temperatures ready for inverse modelling

  19. Extracting local surface charges and charge regulation behavior from atomic force microscopy measurements at heterogeneous solid-electrolyte interfaces

    NASA Astrophysics Data System (ADS)

    Zhao, Cunlu; Ebeling, Daniel; Siretanu, Igor; van den Ende, Dirk; Mugele, Frieder

    2015-10-01

    We present a method to determine the local surface charge of solid-liquid interfaces from Atomic Force Microscopy (AFM) measurements that takes into account shifts of the adsorption/desorption equilibria of protons and ions as the cantilever tip approaches the sample. We recorded AFM force distance curves in dynamic mode with sharp tips on heterogeneous silica surfaces partially covered by gibbsite nano-particles immersed in an aqueous electrolyte with variable concentrations of dissolved NaCl and KCl at pH 5.8. Forces are analyzed in the framework of Derjaguin-Landau-Verwey-Overbeek (DLVO) theory in combination with a charge regulation boundary that describes adsorption and desorption reactions of protons and ions. A systematic method to extract the equilibrium constants of these reactions by simultaneous least-squared fitting to experimental data for various salt concentrations is developed and is shown to yield highly consistent results for silica-electrolyte interfaces. For gibbsite-electrolyte interfaces, the surface charge can be determined, yet, an unambiguous identification of the relevant surface speciation reactions is not possible, presumably due to a combination of intrinsic chemical complexity and heterogeneity of the nano-particle surfaces.

  20. The high-temperature phase equilibria of the Ni–Sn–Zn system: Isothermal sections

    PubMed Central

    Schmetterer, Clemens; Rajamohan, Divakar; Ipser, Herbert; Flandorfer, Hans

    2011-01-01

    In this work three complete isothermal sections of the Ni–Sn–Zn system at 700, 800 and 900 °C are presented. They were constructed based on experimental investigation of more than 60 alloy samples. Powder XRD, single crystal XRD, EPMA, and DTA measurements on selected samples were carried out. Two new ternary compounds, designated as τ2 (Ni5Sn4Zn) and τ3 (Ni7Sn9Zn5), were identified and their homogeneity ranges and crystal structures could be described. Whereas τ3 is only present at 700 °C, the τ2-phase was found at both 700 and 800 °C. No truly ternary compound could be found in the isothermal section at 900 °C. A seemingly ternary compound at 20 at% Sn in the Ni-rich part of Ni–Sn–Zn was found at 800 and 900 °C. Our XRD results, however, indicate that this phase is a ternary solid solution of Ni3Sn-HT from constituent binary Ni–Sn. It is stabilized to lower temperatures by additions of Zn. These new experimental results will provide valuable information to the thermodynamic description of alloy systems relevant for high-temperature lead-free soldering. PMID:27087750

  1. Equilibrium isotherms of methane onto activated carbons using a static volumetric method.

    PubMed

    Kavitha, T; Kaliappan, S

    2009-07-01

    The aim of this research is to develop a technology for the storage of biogas. The present work pertains to the measurement of the adsorption capacity of methane onto activated carbons at room temperature at pressure range varying from 1 atm to 10 atm. The results were obtained with a static volumetric method. Adsorption isotherms for methane on Sorbonorit 4, Norit SX Plus, Sorbonorit B3, Norit PAC 200 XC were plotted. The equilibrium pressure data were analysed using Langmuir, Dubinin-Astakhov's (DA) and Dubinin-Radushkevich (DR) equations. The DA equation described the isotherm behavior better with the exponent n equals to 1.0 for Sorbonorit 4, Sorbonorit B3, Norit PAC 200 XC and 1.7 for Norit SX Plus than the other equations. The order of the adsorption capacity is as follows: Sorbonorit 4 (4.6 mmol/g) > Norit PAC 200 XC (3.81 mmol/g) > Sorbonorit B3 (3.52 mmol/g) > Norit SX Plus (3.51 mmol/g).

  2. Phytoremediation and absorption isotherms of heavy metal ions by Convolvulus tricolor (CTC).

    PubMed

    Valizadeh, Rezvan; Mahdavian, Leila

    2016-01-01

    In recent years, use of plants for remediation of contaminated soils, especially removal of heavy metals, is considered. The current study tends to investigate the removal of lead and nickel ions by the Convolvulus tricolor (CTC), was grown for 30 days in different concentrations of lead and nickel ions. Then concentration of them in soil and different organs of the plant was measured by atomic absorption spectrometry. The highest absorbed of them occurred in concentration 0.001N, which highest Pb(2+) accumulation is in the aerial parts of the plant: leaf > stem > root and for Ni(2)+: root > stem > leaf. No ion was observed into the flowers and nickel ion absorption is more of lead ion in different plant organs of CTC. The experimental isotherm data were investigated using isotherms of Langmuir, Freundlich, BET, Temkin and Dubinin-Radushkevich (DRK). The correlation coefficient for all of them is calculated that show the best correlation coefficient for Ni(2+) adsorption is obtained BET model, whereas for Pb(2+) adsorption in root is Freundlich model but for its leaf and stem is BET model. The results show, CTC is suitable for Pb(2+) and Ni(2+) and this technique is in-situ method, simple, and low cost.

  3. A NON-ISOTHERMAL THEORY FOR INTERPRETING SODIUM LINES IN TRANSMISSION SPECTRA OF EXOPLANETS

    SciTech Connect

    Heng, Kevin; Lavie, Baptiste; Wyttenbach, Aurélien; Ehrenreich, David; Lovis, Christophe; Sing, David K.

    2015-04-10

    We present a theory for interpreting the sodium lines detected in transmission spectra of exoplanetary atmospheres. Previous analyses employed the isothermal approximation and dealt only with the transit radius. By recognizing the absorption depth and the transit radius as being independent observables, we develop a theory for jointly interpreting both quantities, which allows us to infer the temperatures and number densities associated with the sodium lines. We are able to treat a non-isothermal situation with a constant temperature gradient. Our novel diagnostics take the form of simple-to-use algebraic formulae and require measurements of the transit radii (and their corresponding absorption depths) at line center and in the line wing for both sodium lines. We apply our diagnostics to the HARPS data of HD 189733b, confirm the upper atmospheric heating reported by Huitson et al., derive a temperature gradient of 0.4376 ± 0.0154 K km{sup −1}, and find densities ∼1–10{sup 4} cm{sup −3}.

  4. Advances in the analysis of isothermal titration calorimetry data for ligand-DNA interactions.

    PubMed

    Buurma, Niklaas J; Haq, Ihtshamul

    2007-06-01

    Isothermal titration calorimetry (ITC) is a well established technique for the study of biological interactions. The strength of ITC is that it directly measures enthalpy changes associated with interactions. Experiments can also yield binding isotherms allowing quantification of equilibrium binding constants, hence an almost complete thermodynamic profile can be established. Principles and application of ITC have been well documented over recent years, experimentally the technique is simple to use and in ideal scenarios data analysis is trivial. However, ITC experiments can be designed such that previously inaccessible parameters can be evaluated. We outline some of these advances, including (1) exploiting different experimental conditions; (2) low affinity systems; (3) high affinity systems and displacement assays. In addition we ask the question: What if data cannot be fit using the fitting functions incorporated in the data-analysis software that came with your ITC? Examples where such data might be generated include systems following non 1:n binding patterns and systems where binding is coupled to other events such as ligand dissociation. Models dealing with such data are now appearing in literature and we summarise examples relevant for the study of ligand-DNA interactions.

  5. Indoor pollutant mixing time in an isothermal closed room: An investigation using CFD

    SciTech Connect

    Gadgil, A.J.; Lobscheid, C.; Abadie, M.O.; Finlayson, E.U.

    2003-07-01

    We report on computational fluid dynamics (CFD) predictions of mixing time of a pollutant in an unventilated, mechanically mixed, isothermal room. The study aims to determine: (1) the adequacy of the standard Reynolds Averaged Navier Stokes two-equation ({kappa}-{var_epsilon}) turbulence model for predicting the mixing time under these conditions and (2) the extent to which the mixing time depends on the room airflow, rather than the source location within the room. The CFD simulations modeled the 12 mixing time experiments performed by Drescher et al. (Indoor Air 5 (1995) 204) using a point pulse release in an isothermal, sealed room mechanically mixed with variable power blowers. Predictions of mixing time were found in good agreement with experimental measurements, over an order of magnitude variation in blower power. Additional CFD simulations were performed to investigate the relation between pollutant mixing time and source location. Seventeen source locations and five blower configurations were investigated. Results clearly show large dependence of the mixing time on the room airflow, with some dependence on source location. We further explore dependence of mixing time on the velocity and turbulence intensity at the source location. Implications for positioning air-toxic sensors in rooms are briefly discussed.

  6. Near-isothermal furnace for in situ and real time X-ray radiography solidification experiments.

    PubMed

    Becker, M; Dreißigacker, C; Klein, S; Kargl, F

    2015-06-01

    In this paper, we present a newly developed near-isothermal X-ray transparent furnace for in situ imaging of solidification processes in thin metallic samples. We show that the furnace is ideally suited to study equiaxed microstructure evolution and grain interaction. To observe the growth dynamics of equiaxed dendritic structures, a minimal temperature gradient across the sample is required. A uniform thermal profile inside a circular sample is achieved by positioning the sample in the center of a cylindrical furnace body surrounded by a circular heater arrangement. Performance tests with the hypo-eutectic Al-15wt.%Cu and the near-eutectic Al-33wt.%Cu alloys validate the near-isothermal character of the sample environment. Controlled cooling rates of less than 0.5 K min(-1) up to 10 K min(-1) can be achieved in a temperature range of 720 K-1220 K. Integrated in our rotatable laboratory X-ray facility, X-RISE, the furnace provides a large field of view of 10.5 mm in diameter and a high spatial resolution of ∼4 μm. With the here presented furnace, equiaxed dendrite growth models can be rigorously tested against experiments on metal alloys by, e.g., enabling dendrite growth velocities to be determined as a function of undercooling or solutal fields in front of the growing dendrite to be measured.

  7. Near-isothermal furnace for in situ and real time X-ray radiography solidification experiments

    SciTech Connect

    Becker, M. Dreißigacker, C.; Klein, S.; Kargl, F.

    2015-06-15

    In this paper, we present a newly developed near-isothermal X-ray transparent furnace for in situ imaging of solidification processes in thin metallic samples. We show that the furnace is ideally suited to study equiaxed microstructure evolution and grain interaction. To observe the growth dynamics of equiaxed dendritic structures, a minimal temperature gradient across the sample is required. A uniform thermal profile inside a circular sample is achieved by positioning the sample in the center of a cylindrical furnace body surrounded by a circular heater arrangement. Performance tests with the hypo-eutectic Al-15wt.%Cu and the near-eutectic Al-33wt.%Cu alloys validate the near-isothermal character of the sample environment. Controlled cooling rates of less than 0.5 K min{sup −1} up to 10 K min{sup −1} can be achieved in a temperature range of 720 K–1220 K. Integrated in our rotatable laboratory X-ray facility, X-RISE, the furnace provides a large field of view of 10.5 mm in diameter and a high spatial resolution of ∼4 μm. With the here presented furnace, equiaxed dendrite growth models can be rigorously tested against experiments on metal alloys by, e.g., enabling dendrite growth velocities to be determined as a function of undercooling or solutal fields in front of the growing dendrite to be measured.

  8. Interaction of gymnemic acid with cyclodextrins analyzed by isothermal titration calorimetry, NMR and dynamic light scattering.

    PubMed

    Izutani, Yusuke; Kanaori, Kenji; Imoto, Toshiaki; Oda, Masayuki

    2005-12-01

    The physiological phenomenon that the antisweet taste effect of gymnemic acid (GA) is diminished by application of gamma-cyclodextrin (gamma-CD) to the mouth was evaluated at the molecular level using isothermal titration calorimetry, NMR and dynamic light scattering. These analyses showed that GA specifically binds to gamma-CD. Thermodynamic analysis using isothermal titration calorimetry revealed that the association constant of GA and gamma-CD is 10(5)-10(6) m(-1) with favorable enthalpy and entropy changes. The heat capacity change was negative and large, despite the change in accessible surface area upon binding being small. These thermodynamics indicate that the binding is dominated by hydrophobic interactions, which is in agreement with inclusion complex formation of gamma-CD. In addition, NMR measurements showed that in solution the spectra of GA are broad and sharpened by the addition of gamma-CD, indicating that unbound GA is in a water-soluble aggregate that is dispersed when it forms a complex with gamma-CD. Dynamic light scattering showed that the average diameter of unbound GA is > 30 nm and that of GA and gamma-CD complex is 2.2 nm, similar to unbound gamma-CD, supporting the aggregate property of GA and the inclusion complexation of GA by gamma-CD.

  9. Statistical physics studies of multilayer adsorption isotherm in food materials and pore size distribution

    NASA Astrophysics Data System (ADS)

    Aouaini, F.; Knani, S.; Ben Yahia, M.; Ben Lamine, A.

    2015-08-01

    Water sorption isotherms of foodstuffs are very important in different areas of food science engineering such as for design, modeling and optimization of many processes. The equilibrium moisture content is an important parameter in models used to predict changes in the moisture content of a product during storage. A formulation of multilayer model with two energy levels was based on statistical physics and theoretical considerations. Thanks to the grand canonical ensemble in statistical physics. Some physicochemical parameters related to the adsorption process were introduced in the analytical model expression. The data tabulated in literature of water adsorption at different temperatures on: chickpea seeds, lentil seeds, potato and on green peppers were described applying the most popular models applied in food science. We also extend the study to the newest proposed model. It is concluded that among studied models the proposed model seems to be the best for description of data in the whole range of relative humidity. By using our model, we were able to determine the thermodynamic functions. The measurement of desorption isotherms, in particular a gas over a solid porous, allows access to the distribution of pore size PSD.

  10. The high-temperature phase equilibria of the Ni-Sn-Zn system: Isothermal sections.

    PubMed

    Schmetterer, Clemens; Rajamohan, Divakar; Ipser, Herbert; Flandorfer, Hans

    2011-10-01

    In this work three complete isothermal sections of the Ni-Sn-Zn system at 700, 800 and 900 °C are presented. They were constructed based on experimental investigation of more than 60 alloy samples. Powder XRD, single crystal XRD, EPMA, and DTA measurements on selected samples were carried out. Two new ternary compounds, designated as τ2 (Ni5Sn4Zn) and τ3 (Ni7Sn9Zn5), were identified and their homogeneity ranges and crystal structures could be described. Whereas τ3 is only present at 700 °C, the τ2-phase was found at both 700 and 800 °C. No truly ternary compound could be found in the isothermal section at 900 °C. A seemingly ternary compound at 20 at% Sn in the Ni-rich part of Ni-Sn-Zn was found at 800 and 900 °C. Our XRD results, however, indicate that this phase is a ternary solid solution of Ni3Sn-HT from constituent binary Ni-Sn. It is stabilized to lower temperatures by additions of Zn. These new experimental results will provide valuable information to the thermodynamic description of alloy systems relevant for high-temperature lead-free soldering.

  11. Telescoping of isotherms beneath the South Tibetan Detachment System, Mount Everest Massif

    NASA Astrophysics Data System (ADS)

    Law, R. D.; Jessup, M. J.; Searle, M. P.; Francsis, M. K.; Waters, D. J.; Cottle, J. M.

    2011-11-01

    Petrologic and microstructural/crystal fabric data indicate that isotherms recorded in Greater Himalayan Series (GHS) schists and gneisses in the footwall to the South Tibetan Detachment System (STDS) have undergone extreme telescoping during penetrative flow associated with southward extrusion of the GHS. In the Rongbuk Valley, to the north of Mount Everest, we have made three vertical sampling traverses from the STDS down into the GHS and estimated temperatures associated with penetrative deformation using the opening angles of quartz c-axis fabrics measured on dynamically recrystallized grains. From north to south, the deformation temperature data indicate apparent thermal field gradients of 369, 385 and 420 °C per km for our three traverses, traced over a maximum vertical sampling distance of 0.5 km. Adopting a differential flow path model, simple geometric analysis using sections drawn parallel to the local transport direction indicates that detachment-parallel transport magnitudes of 25-170 km are needed to explain the extreme telescoping of isotherms in the immediate footwall to the STDS, depending on assumed original geothermal gradient, dip of detachment, etc. These particle transport estimates are similar to those previously calculated from barometry data of GHS rocks in the Everest region and are compatible with channel flow models for extrusion and exhumation of the GHS.

  12. Non-Isothermal Experimental Study of the Constrained Vapor Bubble Thermosyphon

    NASA Technical Reports Server (NTRS)

    Karthikeyan, Muthu; Huang, Jianming; Plawsky, Joel; Wayner, Peter, Jr.

    1996-01-01

    Experimental and theoretical techniques to study non-isothermal transport processes in the constrained vapor bubble thermosyphon (CVBT) were developed using a pentane/quartz system. The transport processes can be evaluated by measuring the liquid film profile, which gives the pressure field, and the temperature field. The axial variation in the capillary pressure was measured using an image-analyzing interferometer that is based on computer-enhanced video microscopy of the naturally occurring interference fringes. Thermoelectric coolers were used to control the temperature level in the condensation region and, therefore, the length of the approximately 'adiabatic' surface region which is a function of the temperature difference between the CVBT surface and the surroundings. High values for the axial thermal conductance in the 'adiabatic' surface region were demonstrated under certain conditions.

  13. Vitrification and Devitrification of Rigid Amorphous Fraction of PET during Quasi-isothermal Cooling and Heating

    NASA Astrophysics Data System (ADS)

    Cebe, Peggy; Chen, Huipeng

    2009-03-01

    Poly(ethylene terephthalate), PET, was studied by quasi-isothermal (QI) Temperature Modulated Differential Scanning Calorimetry (TMDSC). For the first time, both the temperature dependent crystalline fraction and rigid amorphous fraction (RAF) were quantitatively analyzed during QI cooling and reheating. Specific reversing heat capacity measurements show that most RAF vitrifies step by step during QI cooling after completion of crystallization. Upon subsequent QI reheating, the RAF devitrifies also step by step and only a small RAF of 0.04 remains at 470K, while melting starts above 473K. To obtain the exact temperature of the start of melting, heat capacity measurements were made using subsequent standard DSC heating, after QI cooling. By combining this method with the QI results, the temperature dependent phase fractions were obtained during standard DSC heating. We conclude that RAF completely devitrifies before the temperature reaches the crystal melting endotherm under the conditions used in this work.

  14. Kinetics of trypsin-catalyzed hydrolysis determined by isothermal titration calorimetry.

    PubMed

    Maximova, Ksenia; Trylska, Joanna

    2015-10-01

    Isothermal titration calorimetry (ITC) was applied to determine enzymatic activity and inhibition. We measured the Michaelis-Menten kinetics for trypsin-catalyzed hydrolysis of two substrates, casein (an insoluble macromolecule substrate) and Nα-benzoyl-dl-arginine β-naphthylamide (a small substrate), and estimated the thermodynamic parameters in the temperature range from 20 to 37°C. The inhibitory activities of reversible (small molecule benzamidine) and irreversible (small molecule phenylmethanesulfonyl fluoride and macromolecule α1-antitrypsin) inhibitors of trypsin were also determined. We showed the usefulness of ITC for fast and direct measurement of inhibition constants and half-maximal inhibitory concentrations and for predictions of the mechanism of inhibition. ITC kinetic assays could be an easy and straightforward way to estimate Michaelis-Menten constants and the effectiveness of inhibitors as well as to predict the inhibition mechanism. ITC efficiency was found to be similar to that of classical spectrophotometric enzymatic assays.

  15. Microstructure and magnetic behavior of Cu-Co-Si ternary alloy synthesized by mechanical alloying and isothermal annealing

    NASA Astrophysics Data System (ADS)

    Chabri, Sumit; Bera, S.; Mondal, B. N.; Basumallick, A.; Chattopadhyay, P. P.

    2017-03-01

    Microstructure and magnetic behavior of nanocrystalline 50Cu-40Co-10Si (at%) alloy prepared by mechanical alloying and subsequent isothermal annealing in the temperature range of 450-650 °C have been studied. Phase evolution during mechanical alloying and isothermal annealing is characterized by X-ray diffraction (XRD), differential thermal analyzer (DTA), high resolution transmission electron microscopy (HRTEM) and magnetic measurement. Addition of Si has been found to facilitate the metastable alloying of Co in Cu resulting into the formation of single phase solid solution having average grain size of 9 nm after ball milling for 50 h duration. Annealing of the ball milled alloy improves the magnetic properties significantly and best combination of magnetic properties has been obtained after annealing at 550 °C for 1 h duration.

  16. Surface excess isotherms of organic solvent mixtures in a system made of liquid carbon dioxide and a silicagel surface.

    PubMed

    Vajda, Péter; Guiochon, Georges

    2013-09-20

    The surface excess isotherms of methanol, ethanol, 2-propanol and acetonitrile from liquid carbon dioxide on a silica adsorbent were measured, using the minor disturbance method. The minor disturbance peaks - or system peaks - of each organic modifier were recorded using UV-detection in the whole composition range of the organic/liquid carbon dioxide mixtures, the whole composition range was completed by injecting the modifiers into pure liquid carbon dioxide as well. The excess isotherms were calculated based on the retention of the organic solvent signals. Our results show an enrichment of the organic modifier at the adsorbent surface. The alcohols show multilayer adsorption with an extremely high retention on the silica surface while acetonitrile shows weaker interactions and only a slight trend toward the formation of a multilayer above the surface.

  17. Isothermal physical aging characterization of Polyether-ether-ketone (PEEK) and Polyphenylene sulfide (PPS) films by creep and stress relaxation

    NASA Astrophysics Data System (ADS)

    Guo, Yunlong; Bradshaw, Roger D.

    2007-03-01

    This paper considers the experimental characterization of isothermal physical aging of PEEK and PPS films using a dynamic mechanical analyzer. Using the short-term test method established by Struik, momentary creep and stress relaxation curves were measured at several temperatures within 15-35°C below the glass transition temperature ( T g ) at various aging times. Stress and strain levels were such that the materials remained in the linear viscoelastic regime. These curves were then shifted together to determine momentary master curves and shift rates using the PHYAGE program. In order to validate the obtained isothermal physical aging behavior, the results of creep and stress relaxation testing were compared and shown to be consistent with one another using appropriate interconversion of the viscoelastic material functions. Time-temperature superposition of the master curves was also performed. The temperature shift factors and aging shift rates for both PEEK and PPS were consistent for both creep and stress relaxation test results.

  18. Ab initio prediction of adsorption isotherms for small molecules in metal-organic frameworks: the effect of lateral interactions for methane/CPO-27-Mg.

    PubMed

    Sillar, Kaido; Sauer, Joachim

    2012-11-07

    A hybrid method that combines density functional theory for periodic structures with wave function-based electron correlation methods for finite-size models of adsorption sites is employed to calculate energies for adsorption of CH(4) onto different sites in the metal-organic framework (MOF) CPO-27-Mg (Mg-MOF-74) with chemical accuracy. The adsorption energies for the Mg(2+), linker, second layer sites are -27.8, -18.3, and -15.1 kJ/mol. Adsorbate-adsorbate interactions increase the average CH(4) adsorption energy by about 10% (2.4 kJ/mol). The free rotor-harmonic oscillator-ideal gas model is applied to calculate free energies/equilibrium constants for adsorption on the individual sites. This information is used in a multisite Langmuir model, augmented with a Bragg-Williams model for lateral interactions, to calculate adsorption isotherms. This ab initio approach yields the contributions of the individual sites to the final isotherms and also of the lateral interactions that contribute about 15% to the maximum excess adsorption capacity. Isotherms are calculated for both absolute amounts, for calculation of isosteric heats of adsorption as function of coverage, and excess amounts, for comparison with measured isotherms. Agreement with observed excess isotherms is reached if the experimentally determined limited accessibility of adsorption sites (78%) is taken into account.

  19. Isothermal microcalorimetry, a tool for probing SWNT bundles.

    PubMed

    Marquis, Renaud; Greco, Carla; Schultz, Patrick; Meunier, Stéphane; Mioskowski, Charles

    2009-11-01

    The bundling state of several dry single-walled carbon nanotube (SWNT) samples is compared using isothermal microcalorimetry (IMC). So as to get different dry samples with various bundling states, the pristine SWNTs were pretreated with a solution of an aromatic amphiphile with or without sonication, washed and dried before being studied by IMC. The bundling state of the different SWNT samples, which was first analyzed by TEM, was then correlated to the obtained IMC data thanks to the interpretation of the observed energy transfer phenomena. From our results, IMC appears to be an interesting technique for the surface probing of dry SWNT samples, and herein for the evaluation of the bundling state.

  20. Isothermal Titration Calorimetry: Assisted Crystallization of RNA-Ligand Complexes.

    PubMed

    Da Veiga, Cyrielle; Mezher, Joelle; Dumas, Philippe; Ennifar, Eric

    2016-01-01

    The success rate of nucleic acids/ligands co-crystallization can be significantly improved by performing preliminary biophysical analyses. Among suitable biophysical approaches, isothermal titration calorimetry (ITC) is certainly a method of choice. ITC can be used in a wide range of experimental conditions to monitor in real time the formation of the RNA- or DNA-ligand complex, with the advantage of providing in addition the complete binding profile of the interaction. Following the ITC experiment, the complex is ready to be concentrated for crystallization trials. This chapter describes a detailed experimental protocol for using ITC as a tool for monitoring RNA/small molecule binding, followed by co-crystallization.

  1. Modeling of the Adiabatic and Isothermal Methanation Process

    NASA Astrophysics Data System (ADS)

    Porubova, Jekaterina; Bazbauers, Gatis; Markova, Darja

    2011-01-01

    Increased use of biomass offers one of the ways to reduce anthropogenic impact on the environment. Using various biomass conversion processes, it is possible to obtain different types of fuels: • solid, e.g. bio-carbon; • liquid, e.g. biodiesel and ethanol; • gaseous, e.g. biomethane. Biomethane can be used in the transport and energy sector, and the total methane production efficiency can reach 65%. By modeling adiabatic and isothermal methanation processes, the most effective one from the methane production point of view is defined. Influence of the process parameters on the overall efficiency of the methane production is determined.

  2. 3D Finite Element Analysis of Spider Non-isothermal Forging Process

    NASA Astrophysics Data System (ADS)

    Niu, Ling; Wei, Wei; Wei, Kun Xia; Alexandrov, Igor V.; Hu, Jing

    2016-06-01

    The differences of effective stress, effective strain, velocity field, and the load-time curves between the spider isothermal and non-isothermal forging processes are investigated by making full use of 3D FEA, and verified by the production experiment of spider forging. Effective stress is mainly concentrated on the pin, and becomes lower closer to the front of the pin. The maximum effective strain in the non-isothermal forging is lower than that in the isothermal. The great majority of strain in the non-isothermal forging process is 1.76, which is larger than the strain of 1.31 in the isothermal forging. The maximum load required in the isothermal forging is higher than that in the non-isothermal. The maximum experimental load and deformation temperature in the spider production are in good agreement with those in the non-isothermal FEA. The results indicate that the non-isothermal 3D FEA results can guide the design of the spider forging process.

  3. A rapid and novel approach for predicting water sorption isotherms and isosteric heats of different meat types.

    PubMed

    Cortés, Farid B; Chejne, Farid

    2010-12-01

    A rapid and novel approach for predicting sorption isotherms based on the Polanyi theory is proposed. This approach allows the prediction of the sorption isotherms at different temperatures from one experimental isotherm. The theoretical predictions of isotherms and isosteric heats were validated successfully using data from the literature for different meat types. This method allows total experimental time and operation costs to be reduced.

  4. Morphology and non-isothermal crystallization kinetics of CuInS{sub 2} nanocrystals synthesized by solvo-thermal method

    SciTech Connect

    Majeed Khan, M.A.; Kumar, Sushil; Alsalhi, M.S.; Ahamed, Maqusood; Alhoshan, Mansour; Alrokayan, Salman A.; Ahamad, Tansir

    2012-03-15

    Nanocrystals of copper indium disulphide (CuInS{sub 2}) were synthesized by a solvo-thermal method. The structure, morphology and non-isothermal crystallization kinetic behavior of samples were investigated using X-ray diffraction, field emission scanning electron microscopy, field emission transmission electron microscopy, thermogravimetric analysis and differential thermal analysis techniques. Non-isothermal measurements at different heating rates were carried out and the crystallization kinetics of samples were analyzed using the most reliable non-isothermal kinetic methods. The kinetic parameters such as glass transition temperature, thermal stability, activation energy, Avrami exponent etc. were evaluated. - Highlights: Black-Right-Pointing-Pointer CuInS{sub 2} nanocrystals have scientific and technological importance. Black-Right-Pointing-Pointer Samples have been prepared by solvo-thermal method. Black-Right-Pointing-Pointer Synthesized samples exhibit excellent morphology and thermal properties. Black-Right-Pointing-Pointer Investigated properties may be utilized in design and fabrication of solar cell devices.

  5. Capture of carbon dioxide from flue gas on TEPA-grafted metal-organic framework Mg2(dobdc).

    PubMed

    Cao, Yan; Song, Fujiao; Zhao, Yunxia; Zhong, Qin

    2013-10-01

    Carbon dioxide (CO2) adsorption on a standard metal-organic framework Mg2(dobdc) (Mg/DOBDC or Mg-MOF-74) and a tetraethylenepentamine (TEPA) modified Mg2(dobdc) (TEPA-Mg/DOBDC) were investigated and compared. The structural information, surface chemistry and thermal behavior of the adsorbent samples were characterized by X-ray powder diffraction (XRD), infrared spectroscopy (IR), thermogravimetric analysis (TGA) and nitrogen adsorption-desorption isotherm analysis. CO2 adsorption capacity was measured by dynamic adsorption experiments with N2-CO2 mixed gases at 60 degrees C. Results showed that the CO2 adsorption capacity of Mg/DOBDC was significantly improved after amine modification, with an increase from 2.67 to 6.06 mmol CO2/g adsorbent. Moreover, CO2 adsorption on the TEPA-Mg/DOBDC adsorbent was promoted by water vapor, and the adsorption capacity was enhanced to 8.31 mmol CO2/g absorbent. The adsorption capacity of the TEPA-Mg/DOBDC adsorbent dropped only 3% after 5 consecutive adsorption/desorption cycles. Therefore, this kind of adsorbent can be considered as a promising material for the capture of CO2 from flue gas.

  6. Colloid-Facilitated Transport of 137Cs in Fracture-Fill Material. Experiments and Modeling

    SciTech Connect

    Dittrich, Timothy M.; Reimus, Paul William

    2015-10-29

    In this study, we demonstrate how a combination of batch sorption/desorption experiments and column transport experiments were used to effectively parameterize a model describing the colloid-facilitated transport of Cs in the Grimsel granodiorite/FFM system. Cs partition coefficient estimates onto both the colloids and the stationary media obtained from the batch experiments were used as initial estimates of partition coefficients in the column experiments, and then the column experiment results were used to obtain refined estimates of the number of different sorption sites and the adsorption and desorption rate constants of the sites. The desorption portion of the column breakthrough curves highlighted the importance of accounting for adsorption-desorption hysteresis (or a very nonlinear adsorption isotherm) of the Cs on the FFM in the model, and this portion of the breakthrough curves also dictated that there be at least two different types of sorption sites on the FFM. In the end, the two-site model parameters estimated from the column experiments provided excellent matches to the batch adsorption/desorption data, which provided a measure of assurance in the validity of the model.

  7. Desorption isotherms for fresh beef: an experimental and modeling approach.

    PubMed

    Ahmat, Tom; Bruneau, Denis; Kuitche, Alexis; Waste Aregba, Aworou

    2014-04-01

    Desorption isotherms for fresh beef were determined at 30, 40 and 50°C by the static gravimetric method. The resulting isotherms exhibited a type II sigmoid shape. The BET, GAB and Halsey models were used to fit these experimental data. The GAB model was most accurate for all temperatures and all levels of water activity, followed by the BET and Halsey models. The temperature dependence of GAB constants was estimated. The isosteric heat of desorption and its evolution in relation to moisture content were calculated using Clausius-Clapeyron equations. The monolayer moisture content was determined using the GAB model: it decreased as the temperature increased. The density of bound water, the number of adsorption sites, the sorption surface area and the percentage of bound water were calculated using the Caurie equation: all these quantities decreased as the temperature increased. The Kelvin and Halsey equations were used for calculation of pore size, which increases with an increase in moisture levels and sorption temperature.

  8. Sorption isotherms and isosteric heats of sorption of Malaysian paddy.

    PubMed

    Mousa, Wael; Ghazali, Farinazleen Mohamad; Jinap, S; Ghazali, Hasanah Mohd; Radu, Son

    2014-10-01

    Understanding the water sorption characteristics of cereal is extremely essential for optimizing the drying process and ensuring storage stability. Water relation of rough rice was studied at 20, 30, 40 and 50 °C over relative humidity (RH.) between 0.113 and 0.976 using the gravimetric technique. The isotherms displayed the general sigmoid, Type II pattern and exhibited the phenomenon of hysteresis where it was more pronounced at lower temperatures. The sorption characteristics were temperature dependence where the sorption capacity of the paddy increased as the temperature was decreased at fixed (RH). Among the models assessed for their ability to fit the sorption data, Oswin equation was the best followed by the third order polynomial, GAB, Smith, Chung-Pfost, and Henderson models. The monolayer moisture content was higher for desorption than adsorption and tend to decrease with the increase in temperature. Given the temperature dependence of the sorption isotherms the isosteric heats of sorption were calculated using Claussius-Clapeyron equation. The net isosteric heats decreased as the moisture content was increased and heats of desorption were greater than that of adsorption.

  9. Reliable prediction of adsorption isotherms via genetic algorithm molecular simulation.

    PubMed

    LoftiKatooli, L; Shahsavand, A

    2017-01-01

    Conventional molecular simulation techniques such as grand canonical Monte Carlo (GCMC) strictly rely on purely random search inside the simulation box for predicting the adsorption isotherms. This blind search is usually extremely time demanding for providing a faithful approximation of the real isotherm and in some cases may lead to non-optimal solutions. A novel approach is presented in this article which does not use any of the classical steps of the standard GCMC method, such as displacement, insertation, and removal. The new approach is based on the well-known genetic algorithm to find the optimal configuration for adsorption of any adsorbate on a structured adsorbent under prevailing pressure and temperature. The proposed approach considers the molecular simulation problem as a global optimization challenge. A detailed flow chart of our so-called genetic algorithm molecular simulation (GAMS) method is presented, which is entirely different from traditions molecular simulation approaches. Three real case studies (for adsorption of CO2 and H2 over various zeolites) are borrowed from literature to clearly illustrate the superior performances of the proposed method over the standard GCMC technique. For the present method, the average absolute values of percentage errors are around 11% (RHO-H2), 5% (CHA-CO2), and 16% (BEA-CO2), while they were about 70%, 15%, and 40% for the standard GCMC technique, respectively.

  10. Non-isothermal deformation of gamma titanium aluminide

    SciTech Connect

    Mohan, B.; Srinivasan, R.; Weiss, I.

    1995-12-31

    Gamma titanium aluminide is being considered as a material for use in internal combustion (IC) engine valves. At the present time IC engine valves are made from steel by a combination of extrusion and forging operations using a heated workpiece and relatively cold dies. In order to develop similar deformation processing technologies for gamma titanium aluminide, limits of formability under different processing conditions need to be established. Non-isothermal deformation with heated dies were carried out on samples of materials which had been processed by different routes to yield microstructures with grain sizes in the range of 3 to 10,000 {micro}m. Processing parameters such as strain rate, specimen temperature, total strain, and type of lubricant were varied in order to establish processing windows for uniform deformation of the different materials. During non-isothermal forming, the highest strain rate for uniform deformation is about 0.1 s{sup {minus}1}. Strain rates slower than 0.01 s{sup {minus}1} result in extensive chilling of the workpiece resulting in fracture. The maximum amount of deformation that could be obtained was a 40% reduction in height (strain of 0.5). The type of lubricant used plays a significant role in the formation of cracks on the specimen at the specimen/die interfaces.

  11. Non isothermal model free kinetics for pyrolysis of rice straw.

    PubMed

    Mishra, Garima; Bhaskar, Thallada

    2014-10-01

    The kinetics of thermal decomposition of rice straw was studied by thermogravimetry. Non-isothermal thermogravimetric data of rice straw decomposition in nitrogen atmosphere at six different heating rates of 5-40 °C/min was used for evaluating kinetics using several model free kinetic methods. The results showed that the decomposition process exhibited two zones of constant apparent activation energies. The values ranged from 142 to 170 kJ/mol (E(avg) = 155.787 kJ/mol), and 170 to 270 kJ/mol (E(avg) = 236.743 kJ/mol) in the conversion range of 5-60% and 61-90% respectively. These values were used to determine the reaction mechanism of process using master plots and compensation parameters. The results show that the reaction mechanism of whole process can be kinetically characterized by two successive reactions, a diffusion reaction followed by a third order rate equation. The kinetic results were validated using isothermal predictions. The results derived are useful for development and optimization of biomass thermochemical conversion systems.

  12. Hydrothermal liquefaction of sewage sludge under isothermal and fast conditions.

    PubMed

    Qian, Lili; Wang, Shuzhong; Savage, Phillip E

    2017-02-08

    We investigated the effects of water loading, sludge moisture content, recovery solvent, and additives on the product yields and compositions from isothermal (673K, 60min) and fast (773K, 1min) hydrothermal liquefaction (HTL) of sewage sludge. The water loading (which affects pressure within the reactor) plays a small role in product yields. The sludge moisture content had a larger effect with the highest biocrude yields (26.8wt% from isothermal HTL and 27.5wt% from fast HTL) being produced from sludge that was 85wt% moisture. The HTL biocrude from sludge mainly contains long-chain aliphatic hydrocarbon moieties and aliphatic acids. Dichloromethane recovered more biocrude and energy content (∼50%) than did the other solvents tested. Added K2CO3, Na2CO3, HCOOH, CH3COOH, MoO3-CoO/γ-Al2O3 and Ru/C significantly decrease the biocrude yield when their loadings are 50wt% of the dried sludge. The additives, excepting carbonates, enhance gasification of sludge.

  13. Sequence dependence of isothermal DNA amplification via EXPAR

    PubMed Central

    Qian, Jifeng; Ferguson, Tanya M.; Shinde, Deepali N.; Ramírez-Borrero, Alissa J.; Hintze, Arend; Adami, Christoph; Niemz, Angelika

    2012-01-01

    Isothermal nucleic acid amplification is becoming increasingly important for molecular diagnostics. Therefore, new computational tools are needed to facilitate assay design. In the isothermal EXPonential Amplification Reaction (EXPAR), template sequences with similar thermodynamic characteristics perform very differently. To understand what causes this variability, we characterized the performance of 384 template sequences, and used this data to develop two computational methods to predict EXPAR template performance based on sequence: a position weight matrix approach with support vector machine classifier, and RELIEF attribute evaluation with Naïve Bayes classification. The methods identified well and poorly performing EXPAR templates with 67–70% sensitivity and 77–80% specificity. We combined these methods into a computational tool that can accelerate new assay design by ruling out likely poor performers. Furthermore, our data suggest that variability in template performance is linked to specific sequence motifs. Cytidine, a pyrimidine base, is over-represented in certain positions of well-performing templates. Guanosine and adenosine, both purine bases, are over-represented in similar regions of poorly performing templates, frequently as GA or AG dimers. Since polymerases have a higher affinity for purine oligonucleotides, polymerase binding to GA-rich regions of a single-stranded DNA template may promote non-specific amplification in EXPAR and other nucleic acid amplification reactions. PMID:22416064

  14. Crystallographic orientation variation of isothermal pearlite under high magnetic field

    SciTech Connect

    Meng, Lan Zhou, Xiaoling Chen, Jianhao

    2015-07-15

    Crystallographic orientation (CO) variation of magnetic-induced pearlite (MIP) during its microstructure evolution in 19.8 T was investigated by electron back-scatter diffraction (EBSD). It is closely related to the isothermal temperatures (ITs) and the applied magnetic time (MT) during the process of MIP formation. The <100> easy magnetization direction in MIP colonies is strengthened with the MT within the certain transformed fraction of MIP (f{sub MIP}) at the relatively lower IT (983 K) above the eutectoid temperature but below the magnetically shifted upward eutectoid temperature, while this special CO tends to be weakened at a relatively higher IT (995 K). For the same MT, the higher the IT, the relatively larger is the proportion in <100> orientation for MIP colonies at the early growth stage. These results have demonstrated that the change of <100> orientation of MIP is closely related to the growth rate of pearlite ferrite (PF), and strengthened mainly at early transformation stage. When f{sub MIP} reaches some value, the growth rate of MIP at other COs, such as <110>, even at the hard magnetization direction, turns to present speed-up. - Highlights: • HMF can induce pearlite with different fractions above the eutectoid temperature. • CO is closely related to isothermal temperatures and applied magnetic time. • <100> direction is related to the growth rate of PF, and strengthened at early stage. • When f{sub MIP} reaches some value, the growth rate at other COs turns to present speed-up.

  15. Analysis of moisture desorption isotherms of eggplant (Solanum melongena).

    PubMed

    Moreira, R; Chenlo, F; Torres, M D; Vallejo, N

    2010-10-01

    Sorption isotherms of eggplant were determined employing, as experimental technique, a static gravimetric method, using saturated salt solutions to achieve the equilibrium. The experiments were carried out at different temperatures (20, 35, 50 and 65 °C). The sorption isotherms can be classified, according to Brunauer's classification, as type II or III depending on temperature. Equilibrium moisture content data were correlated by two models usually applied to foodstuffs (Brunauer--Emmet--Teller (BET) and Halsey). BET model was employed to determine monolayer moisture content (0.121 kg/kg d.b.). Halsey model was selected by the goodness of fitting. Experimental data were analyzed by a thermodynamic approach to obtain some properties as net isosteric heat, equilibrium heat and differential and net integral entropy. The differential enthalpy and entropy decreased with increasing moisture content and satisfied the compensation theory. The net integral enthalpy and entropy showed maximum values (≈31 kJ/mol and ≈88 J/mol.K) at 0.093 (kg/kg d.b.) of moisture content.

  16. Application and use of isothermal calorimetry in pharmaceutical development.

    PubMed

    O'Neill, Michael A A; Gaisford, Simon

    2011-09-30

    There are many steps involved in developing a drug candidate into a formulated medicine and many involve analysis of chemical interaction or physical change. Calorimetry is particularly suited to such analyses as it offers the capacity to observe and quantify both chemical and physical changes in virtually any sample. Differential scanning calorimetry (DSC) is ubiquitous in pharmaceutical development, but the related technique of isothermal calorimetry (IC) is complementary and can be used to investigate a range of processes not amenable to analysis by DSC. Typically, IC is used for longer-term stability indicating or excipient compatibility assays because both the temperature and relative humidity (RH) in the sample ampoule can be controlled. However, instrument design and configuration, such as titration, gas perfusion or ampoule-breaking (solution) calorimetry, allow quantification of more specific values, such as binding enthalpies, heats of solution and quantification of amorphous content. As ever, instrument selection, experiment design and sample preparation are critical to ensuring the relevance of any data recorded. This article reviews the use of isothermal, titration, gas-perfusion and solution calorimetry in the context of pharmaceutical development, with a focus on instrument and experimental design factors, highlighted with examples from the recent literature.

  17. Rapid compressions in a captive bubble apparatus are isothermal

    PubMed Central

    Yan, Wenfei; Hall, Stephen B.

    2012-01-01

    Captive bubbles are commonly used to determine how interfacial films of pulmonary surfactant respond to changes in surface area, achieved by varying hydrostatic pressure. Although assumed to be isothermal, the gas phase temperature (Tg) would increase by >100°C during compression from 1 to 3 atm if the process were adiabatic. To determine the actual change in temperature, we monitored pressure (P) and volume (V) during compressions lasting <1 s for bubbles with and without interfacial films and used P·V to evaluate Tg. P·V fell during and after the rapid compressions, consistent with reductions in n, the moles of gas phase molecules, because of increasing solubility in the subphase at higher P. As expected for a process with first-order kinetics, during 1 h after the rapid compression P·V decreased along a simple exponential curve. The temporal variation of n moles of gas was determined from P·V >10 min after the compression when the two phases should be isothermal. Back extrapolation of n then allowed calculation of Tg from P·V immediately after the compression. Our results indicate that for bubbles with or without interfacial films compressed to >3 atm within 1 s, the change in Tg is <2°C. PMID:12871969

  18. The Synthesis and Isothermal Aging Behavior of Oxygen-Free Acetylene Terminated Quinoxalines

    DTIC Science & Technology

    1981-05-01

    AFWAL-TR-81-4004 THE SYNTHESIS AND ISOTHERMAL AGING BEHAVIOR OF OXYGEN-FREE ACETYLENE TERMINATED QUINOXALINES Polymer Branch Nonmetallic Materials...TYPE OF REPORT & PERIOD COVERED THE SYNTHESIS AND ISOTHERMAL AGING BEHAVIOR Final Technical Report OF OXYGEN-FREE ACETYLENE TERMINATED January 1979...Quinoxaline Acetylene Terminated Acetylene Cure Thermooxidative Stability Isothermal Aging 20. ABSTRACT (Continue on reverse side if necessary and identify by

  19. Sustained Load Crack Growth in Inconel 718 Under Non-Isothermal Conditions.

    DTIC Science & Technology

    1983-12-01

    Center-cracked specimens of Inconel 718 are used. The isothermal baseline data are used to predict crack growth rates for the non-isothermal tests using...Non-isothermal creep crack growth testing was conducted using centercracked specimens of Inconel 718 . Specimens were subjected to low frequency thermal...temperature change rates are used. \\-* ->he predicted creep crack growth rates were within a factor of two of the actual test data . The time-to-failure

  20. Isothermal stability of colour centers in microcrystalline powder of NaCl:KCl

    NASA Astrophysics Data System (ADS)

    Pode, R. B.; Wakde, D. G.; Deshmukh, B. T.

    1982-04-01

    A correlation between thermoluminescence and isothermal decay of colouration in NaCl:KCl microcrystalline powder is reported. No isothermal bleaching of colouration is observed for all the compositions. However, a rapid isothermal decay is seen in K 95N 5Cl and K 90Na 10Cl, when the first of the two glow peaks is thermally bleached. It is suggested that the interaction between colour centers and dislocations is inhibited upon mixing.

  1. Non-isothermal kinetic parameters and models of crystallization for amorphous Fe-Co-Nb-Cu-B alloys

    NASA Astrophysics Data System (ADS)

    Wang, Xin; Deng, Longjiang; Xie, Jianliang; Liang, Difei

    2013-02-01

    The non-isothermal differential scanning calorimetry (DSC) measurements are often used to study kinetics of amorphous alloys. However non-isothermal kinetic parameters and models of amorphous alloy crystallization process were unclear. In our research, amorphous (FexCo1-x)NbCuB (x=0.33, 0.5 and 0.75) alloys were produced in the form of ribbon by a single roller melt-spinning method. DSC curves at heating rate 5, 10, 15, 20 and 25 K/min were obtained. Kissinger, Ozawa and model-free methods obtain identical activation energies at each exothermic peak of all compositions. We conclude that first exothermic reaction is determined by the migration activation energy of Fe or Co atom; second reaction determined by the energy between parent and product boride phases; and the third reaction determined by the energy between parent α-FeCo phase and product bcc-Fe/fcc-Co phases. We hypothesized a non-isothermal kinetic modelf(α)=α(1, which fit our experiment results well. In this model, m depends on nucleus shape and growth dimension, and n are determined by lattice positions participated in new phase formation.

  2. The adsorption of phloretin to lipid monolayers and bilayers cannot be explained by langmuir adsorption isotherms alone.

    PubMed Central

    Cseh, R; Benz, R

    1998-01-01

    Phloretin and its analogs adsorb to the surfaces of lipid monolayers and bilayers and decrease the dipole potential. This reduces the conductance for anions and increases that for cations on artificial and biological membranes. The relationship between the change in the dipole potential and the aqueous concentration of phloretin has been explained previously by a Langmuir adsorption isotherm and a weak and therefore negligible contribution of the dipole-dipole interactions in the lipid surface. We demonstrate here that the Langmuir adsorption isotherm alone is not able to properly describe the effects of dipole molecule binding to lipid surfaces--we found significant deviations between experimental data and the fit with the Langmuir adsorption isotherm. We present here an alternative theoretical treatment that takes into account the strong interaction between membrane (monolayer) dipole field and the dipole moment of the adsorbed molecule. This treatment provides a much better fit of the experimental results derived from the measurements of surface potentials of lipid monolayers in the presence of phloretin. Similarly, the theory provides a much better fit of the phloretin-induced changes in the dipole potential of lipid bilayers, as assessed by the transport kinetics of the lipophilic ion dipicrylamine. PMID:9512036

  3. Isothermal and cyclic oxidation resistance of boron-modified and germanium-doped silicide coatings for titanium alloys

    SciTech Connect

    Cockeram, B.; Rapp, R.A.

    1996-06-01

    Since titanium alloys with an adequate balance of mechanical properties and high-temperature oxidation resistance have not been developed, protective coatings are required. In the authors previous paper, B-modified and Ge-doped silicide diffusion coatings grown on Cp Ti, Ti-24Al-11Nb, Ti-22Al-27Nb, and Ti-20Al-22Nb by the halide-activated, pack-cementation method were described. In this study, isothermal and cyclic oxidation were used to evaluate the oxidation performance of these coatings in comparison to uncoated substrates. The rate-controlling mechanism for isothermal oxidation at high temperature was solid-state diffusion through a SiO{sub 2} scale, while the mechanism for low-temperature oxidation involved grain-boundary diffusion through TiO{sub 2}. Both isothermal and cyclic oxidation rates for the B-modified and Ge-doped silicide coatings were much slower than for pure TiSi{sub 2}. Oxygen contamination was not detected by microhardness measurements in the coated substrates after 200 oxidation cycles at 500-1000{degrees}C for the Ti-Al-Nb alloys, or at 500-875{degrees}C for Cp Ti. The excellent oxidation resistance for the optimum coating compositions is discussed.

  4. Moisture sorption isotherms and thermodynamic properties of Oak wood (Quercus robur and Quercus canariensis): optimization of the processing parameters

    NASA Astrophysics Data System (ADS)

    Bahar, Rim; Azzouz, Soufien; Remond, Romain; Ouertani, Sahbi; Elaieb, Mohamed Taher; El Cafci, Mohamed Afif

    2016-09-01

    The aim of this paper was to determine the moisture desorption isotherms and essentials thermodynamic properties of two Oak wood varieties. Desorption isotherms were measured using a static gravimetric method at 50, 60, 70 and 80 °C within the range of 5-90 % relative humidity. The equilibrium moisture content decreased with increasing temperature and decreased with decreasing relative humidity at a constant temperature. The `Thermodynamic' sorption equation was found to be the best for describing the experimental moisture sorption isotherms of woods within the range of temperature and water activity investigated. The Fiber saturation point, deduced from the `Thermodynamic' model parameters, depends on the temperature and varying from 22.6 to 54.4 (% kg water/kg dry matter). Isosteric heat of desorption and differential entropy were calculated by applying Clausius-Clapeyron equation to the desorption data fitted by the `Thermodynamic' model. The isosteric heat of desorption and the differential entropy decreased with increasing moisture content according to an exponential law equation and varying from 2.03 to 31.14 kJ/mol and from 73.98 to 4.34 J/(mol K), respectively. The linear relationship between differential enthalpy and entropy satisfied the enthalpy-entropy compensation theory. The sign of Gibbs free energy was found to be positive (+283 J/mol) and (+97 J/mol) for Quercus robur and Quercus canariensis, respectively. The isokinetic temperature was found to be greater than the harmonic temperature. Based on the enthalpy-entropy compensation theory, it could be concluded that the moisture desorption isotherm of Oak wood is a non-spontaneous and enthalpy-controlled process.

  5. Characterization by thermoelectric power of a commercial aluminum-iron-silicon alloy (8011) during isothermal precipitation

    SciTech Connect

    Luiggi A., N.J.

    1998-11-01

    The author has characterized a commercial 8011 (Al-Fe-Si) alloy by studying samples under different initial states of strain hardening and iron and silicon supersaturation using thermoelectric power as a measurement technique. Isothermal kinetics of precipitation are obtained in the temperature range between 225 C and 600 C. He has determined the atom fraction precipitated for each microstructural condition, identifying the dominant alloying additions and evaluating the typical parameters of the precipitated phases, such as, for example, the apparent activation energy. Finally, he determined the time-temperature-transformation (TTT) diagrams. These results prove that iron is the alloying addition that controls the precipitation kinetics of the 8011 alloy in the temperature range studied.

  6. Effect of solvent state and isothermal conditions on gelation of methylcellulose hydrogels.

    PubMed

    Joshi, Sunil C; Liang, C M; Lam, Y C

    2008-01-01

    In this study, thermal behavior of aqueous solutions of methyl cellulose (MC) at a constant temperature of 50 degrees C was analyzed. Various samples were studied for two consecutive heating-cooling cycles. The experiments with the solutions prepared using cold de-ionized (DI) water showed that the rate of gelation was higher for higher MC concentrations. However, the rate was slower during the first heating-cooling cycle than during the second cycle. The possible reasons behind such observations are discussed. Various MC solutions prepared using hot DI water were studied for understanding the role of the solvent state in the isothermal gelation process. The gelation of these MC solutions started at a lower MC concentration and resulted in a higher gelation rate. The gelation mechanism responsible for such effects is explored and presented. Finally, a gel-indexing method is proposed to provide a quantitative measure of the gelation state of all the MC gels.

  7. Modelling of isothermal remanence magnetisation curves for an assembly of macrospins

    NASA Astrophysics Data System (ADS)

    Tournus, F.

    2015-02-01

    We present a robust and efficient framework to compute isothermal remanent magnetisation (IRM) curves for magnetic nanoparticle assemblies. The assembly is modelled by independent, randomly oriented, uniaxial macrospins and we use a Néel model to take into account the thermal relaxation. A simple analytic expression is established for a single size, in a sudden switching approximation, and is compared to more evolved models. We show that for realistic samples (necessarily presenting a size dispersion) the simple model is very satisfactory. With this framework, it is then possible to reliably simulate IRM curves, which can be compared to experimental measurements and used in a best fit procedure. We also examine the influence of several parameters on the IRM curves and we discuss the link between the irreversible susceptibility and the switching field distribution.

  8. Inclusion complex of benzocaine and β-cyclodextrin: 1H NMR and isothermal titration calorimetry studies

    NASA Astrophysics Data System (ADS)

    Mic, Mihaela; Pırnǎu, Adrian; Bogdan, Mircea; Turcu, Ioan

    2013-11-01

    The supramolecular structure of the inclusion complex of β-cyclodextrin with benzocaine in aqueous solution has been investigated by 1H NMR spectroscopy and isothermal titration nanocalorimetry (ITC). Analysis of 1H NMR data by continuous variation method indicates that the benzocaine: β-cyclodextrin inclusion complex occurs and has a 1:1 stoichiometry. Rotating frame NOE spectroscopy (ROESY) was used to ascertain the solution geometry of the host-guest complex which indicates that the benzocaine molecule was included with the aromatic ring into the cyclodextrin cavity. Although the affinity of benzocaine for cyclodextrin is relatively high, the association constant cannot be measured using ITC due to the low solubility of benzocaine in water.

  9. Isothermal degradation of poly-2,2'-/m-phenylene/-5,5'-bibenzimidazole

    NASA Technical Reports Server (NTRS)

    Lerner, N. R.

    1977-01-01

    The isothermal degradation of poly-2,2'-(m-phenylene)-5,5'-bibenzimidazole in vacuo has been studied. Measurement of the increase in pressure with time, coupled with infrared analysis, was used to determine the distribution of the degradation products. Processes A and B with different second-order rate laws were determined to be significant in the temperature range of 550-700 C. Process A leads to the formation of equimolar quantities of hydrogen and ammonia and has an activation energy of 68 kcal/mole. Process B leads to the production of HCN, NH3, and H2 in the ratio of 1:1:2.5 and has an activation energy of 77 kcal/mole. The activation energies and the rate laws are consistent with a mechanism in which the initial degradation step is the bimolecular reaction of two aromatic rings.

  10. The isothermal decomposition of austenite in hot-rolled microalloyed steels

    NASA Astrophysics Data System (ADS)

    Crooks, M. J.; Chilton, J. M.

    1984-06-01

    The isothermal decomposition of austenite has been examined in a set of 0.1 C, 1.4 Mn steels containing small amounts of Ti, V, or Nb. The volume fraction of ferrite was measured as a function of transformation temperature and holding time, after hot rolling. Precipitation of carbonitrides, in both the austenite and the ferrite, was examined by electron microscopy of extraction replicas. The decomposition is slowest in the Nb-alloyed steel, in which the start of transformation is delayed and ferrite growth rates are much lower than in the other steels. In the V-alloyed steels, ferrite growth rates are lower than in the plain carbon or Ti alloyed steels. These results are discussed in terms of the effects of carbonitride precipitation in the austenite during high temperature deformation and in the ferrite during transformation. The roles of V and Nb in solution are also considered.

  11. [Relation between the lysozyme hydration isotherm and molecule packing in the solid phase].

    PubMed

    Gevorkian, S G; Morozov, V N

    1983-01-01

    A micromethod for measurement of mass changes of glutaraldehyde treated protein crystals is presented. The method is based on analysis of transverse resonance vibration of a cantilevered tungsten micro-needle (1,5 divided by 2 mm long, 30 divided by 40 mkm in diameter) having the specimen stuck on its free sharp end. The method is accurate to within 0.1% for specimens with masses 0.1 divided by 0.01 mg. Absorption isotherms for water uptake by triclinic (P1), monoclinic (P2(1) ) and tetragonal (P4(3)2(1)2) crystals as well as by amorphous films of hen egg-white lysozyme are obtained. Hydration of lysozyme molecule is shown to be highly dependent on molecular packing in the sample both at low and high relative humidities.

  12. Rapid and sensitive detection of Lophophora williamsii by loop-mediated isothermal amplification.

    PubMed

    Sasaki, Yohei; Fujimoto, Tsuguto; Aragane, Masako; Yasuda, Ichiro; Nagumo, Seiji

    2009-05-01

    We have developed a convenient method for the detection of Lophophora williamsii using loop-mediated isothermal amplification (LAMP). We designed six species-specific primers for L. williamsii, including two loop primers. This L. williamsii-specific primer set was used for LAMP of total DNA extracted from L. williamsii and from L. diffusa. Real-time monitoring of LAMP was achieved by measuring turbidity due to the formation of magnesium pyrophosphate. Amplification occurred in samples mixed with total DNA from L. williamsii, but not in those mixed with total DNA from L. diffusa. We could also visually observe L. williamsii by adding fluorescent detection reagent to the reaction tube and exposing it to UV light. This new method amplified L. williamsii selectively and is expected to be applicable to the detection of peyote.

  13. Isobaric Heat Capacity, Isothermal Compressibility and Fluctuational Properties of 1-Bromoalkanes

    NASA Astrophysics Data System (ADS)

    Korotkovskii, V. I.; Ryshkova, O. S.; Neruchev, Yu. A.; Goncharov, A. L.; Postnikov, E. B.

    2016-06-01

    We present results of the experimental measurements of the isobaric heat capacity for 1-bromohexane, 1-bromoheptane, 1-bromooctane, 1-bromononane, 1-bromodecane, 1-bromoundecane, 1-bromododecane and 1-bromotetradecane at normal pressure and the speed of sound and the density for 1-bromotetradecane within the temperature range 298.15-423.15 K. These data on the isobaric heat capacity and the literature-based reference data for the density and the speed of sound were used to calculate the isothermal compressibility and the inverse reduced fluctuations. Based on the comparison of the results for pure n-alkanes and α ,ω -dibromoalkanes, we discuss the influence of bromine atom on the volume fluctuations.

  14. Thermodynamic signature of secondary nano-emulsion formation by isothermal titration calorimetry.

    PubMed

    Fotticchia, Iolanda; Fotticchia, Teresa; Mattia, Carlo Andrea; Netti, Paolo Antonio; Vecchione, Raffaele; Giancola, Concetta

    2014-12-09

    The stabilization of oil in water nano-emulsions by means of a polymer coating is extremely important; it prolongs the shelf life of the product and makes it suitable for a variety of applications ranging from nutraceutics to cosmetics and pharmaceutics. To date, an effective methodology to assess the best formulations in terms of thermodynamic stability has yet to be designed. Here, we perform a complete physicochemical characterization based on isothermal titration calorimetry (ITC) compared to conventional dynamic light scattering (DLS) to identify polymer concentration domains that are thermodynamically stable and to define the degree of stability through thermodynamic functions depending upon any relevant parameter affecting the stability itself, such as type of polymer coating, droplet distance, etc. For instance, the method was proven by measuring the energetics in the case of two different biopolymers, chitosan and poly-L-lysine, and for different concentrations of the emulsion coated with poly-L-lysine.

  15. A modified Langmuir-Freundlich isotherm model for simulating pH-dependent adsorption effects.

    PubMed

    Jeppu, Gautham P; Clement, T Prabhakar

    2012-03-15

    Analytical isotherm equations such as Langmuir and Freundlich isotherms are widely used for modeling adsorption data. However, these isotherms are primarily useful for simulating data collected at a fixed pH value and cannot be easily adapted to simulate pH-dependent adsorption effects. Therefore, most adsorption studies currently use numerical surface-complexation models (SCMs), which are more complex and time consuming than traditional analytical isotherm models. In this work, we propose a new analytical isotherm model, identified as the modified Langmuir-Freundlich (MLF) isotherm, which can be used to simulate pH-dependent adsorption. The MLF isotherm uses a linear correlation between pH and affinity coefficient values. We validated the proposed MLF isotherm by predicting arsenic adsorption onto two different types of sorbents: pure goethite and goethite-coated sand. The MLF model gave good predictions for both experimental and surface complexation-model predicted datasets for these two sorbents. The proposed analytical isotherm framework can help reduce modeling complexity, model development time, and computational efforts. One of the limitations of the proposed method is that it is currently valid only for single-component systems. Furthermore, the model requires a system-specific pH. vs. affinity coefficient relation. Despite these limitations, the approach provides a promising analytical framework for simulating pH-dependent adsorption effects.

  16. The non-isothermal rheology of low viscosity magmas.

    NASA Astrophysics Data System (ADS)

    Kolzenburg, Stephan; Giordano, Daniele; Dingwell, Donald B.

    2016-04-01

    Accurate prediction of the run-out distance of lava flows, as well as the understanding of magma migration in shallow dyke systems is hampered by an incomplete understanding of the transient, sub-liquidus rheology of crystallizing melts. This sets significant limits to physical property based modelling of lava flow (especially flow width, length and advancement rate) and magma migration behaviour and the resulting accuracy of volcanic hazard assessment The importance of the dynamic rheology of a lava / magma on its emplacement style becomes especially apparent in towards later stages of flow and dyke emplacement, where the melt builds increasing resistance to flow, entering rheologic regimes that determine the halting of lava flows and sealing of dykes. Thermal gradients between the interior of a melt body and the contact with air or the substratum govern these rheologic transitions that give origin to flow directing or impeding features like levees, tubes and chilled margins. Besides the critical importance of non-isothermal and sub-liquidus processes for the understanding of natural systems, accurate rheologic data at these conditions are scarce and studies capturing the transient rheological evolution of lavas at conditions encountered during emplacement virtually absent. We describe the rheologic evolution of a series of natural, re-melted lava samples during transient and non-equilibrium crystallization conditions characteristic of lava flows and shallow magmatic systems in nature. The sample suite spans from foidites to basalts; the dominant compositions producing low viscosity lava flows. Our data show that all melts undergo one or more change zones in effective viscosity when subjected to sub liquidus temperatures. The apparent viscosity of the liquid-crystal suspension increases drastically from the theoretical temperature-viscosity relationship of a pure liquid once cooled below the liquidus temperature. We find that: 1) Both cooling rate and shear rate

  17. Pressure - Density Isotherms of HELIUM-3 Gas Below 1.3 K.

    NASA Astrophysics Data System (ADS)

    Cameron, James Allen

    The second virial coefficient of He('3) gas and the absolute temperature of the gas were determined at five different temperatures below 1.3 K. The technique used involved measuring pressure and density simultaneously at different points along on isotherm and using the virial equation to determine the temperature and the second virial coefficient. The results are in good agreement with empirical calculations of the second virial coefficient which are based on measurements made at higher temperatures. The measurements of temperature, while only known to within (+OR-)1.5 mK, confirm the widespread belief that the T(,62) temperature scale is in error by several mK. Pressure and density were measured in-situ, using superconducting microwave cavities. These eliminate many sources of error which have in the past made measurements inaccurate below 1.5 K. The density and pressure could be related to changes in the resonant frequencies of the cavities. The frequency of one cavity, which contained the He('3) gas was proportional to the dielectric constant of the gas. The Clausius-Mossotti relationship was used to determine the density as a function of the dielectric constant. The pressure was measured using a reentrant cavity with a flexible diaphragm forming one end wall. The pressure of the gas flexed this diaphragm, changing the frequency of the cavity. A room temperature mercury manometer was used to provide a frequency vs. pressure calibration of this cavity.

  18. Efficient Isothermal Titration Calorimetry Technique Identifies Direct Interaction of Small Molecule Inhibitors with the Target Protein.

    PubMed

    Gal, Maayan; Bloch, Itai; Shechter, Nelia; Romanenko, Olga; Shir, Ofer M

    2016-01-01

    Protein-protein interactions (PPI) play a critical role in regulating many cellular processes. Finding novel PPI inhibitors that interfere with specific binding of two proteins is considered a great challenge, mainly due to the complexity involved in characterizing multi-molecular systems and limited understanding of the physical principles governing PPIs. Here we show that the combination of virtual screening techniques, which are capable of filtering a large library of potential small molecule inhibitors, and a unique secondary screening by isothermal titration calorimetry, a label-free method capable of observing direct interactions, is an efficient tool for finding such an inhibitor. In this study we applied this strategy in a search for a small molecule capable of interfering with the interaction of the tumor-suppressor p53 and the E3-ligase MDM2. We virtually screened a library of 15 million small molecules that were filtered to a final set of 80 virtual hits. Our in vitro experimental assay, designed to validate the activity of mixtures of compounds by isothermal titration calorimetry, was used to identify an active molecule against MDM2. At the end of the process the small molecule (4S,7R)-4-(4-chlorophenyl)-5-hydroxy-2,7-dimethyl-N-(6-methylpyridin-2-yl)-4,6,7,8 tetrahydrIoquinoline-3-carboxamide was found to bind MDM2 with a dissociation constant of ~2 µM. Following the identification of this single bioactive compound, spectroscopic measurements were used to further characterize the interaction of the small molecule with the target protein. 2D NMR spectroscopy was used to map the binding region of the small molecule, and fluorescence polarization measurement confirmed that it indeed competes with p53.

  19. Singular Isothermal Disks and the Formation of Multiple Stars

    NASA Technical Reports Server (NTRS)

    Galli, Daniele; Shu, Frank H.; Laughlin, Gregory; Lizano, Susana; DeVincenzi, Donald (Technical Monitor)

    2000-01-01

    A crucial missing ingredient in previous theoretical studies of fragmentation is the inclusion of dynamically important levels of magnetic fields. As a minimal model for a candidate presursor to the formation of binary and multiple stars, we therefore consider the equilibrium configuration of isopedically magnetized, scale-free, singular isothermal disks, without the assumption of axial symmetry. We find that lopsided (M = 1) configurations exist at any dimensionless rotation rate, including zero. Multiple-lobed (M = 2, 3, 4, ...) configurations bifurcate from an underlying axisymmetric sequence at progressively higher dimensionless rates of rotation, but such nonaxisymmetric sequences always terminate in shockwaves before they have a chance to fission into separate bodies. We advance the hypothesis that binary and multiple star-formation from smooth (i.e., not highly turbulent) starting states that are supercritical but in unstable mechanical balance requires the rapid (i.e., dynamical) loss of magnetic flux at some stage of the ensuing gravitational collapse.

  20. Linear isotherm determination from linear gradient elution experiments.

    PubMed

    Pfister, David; Steinebach, Fabian; Morbidelli, Massimo

    2015-01-02

    A procedure to estimate equilibrium adsorption parameters as a function of the modifier concentration in linear gradient elution chromatography is proposed and its reliability is investigated by comparison with experimental data. Over the past decades, analytical solutions of the so-called equilibrium model under linear gradient elution conditions were derived assuming that proteins and modifier molecules access the same fraction of the pore size distribution of the porous particles. The present approach developed in this work accounts for the size exclusion effect resulting in different exclusions for proteins and modifier. A new analytical solution was derived by applying perturbation theory for differential equations, and the 1st-order approximated solution is presented in this work. Eventually, a turnkey and reliable procedure to efficiently estimate isotherm parameters as a function of modifier concentration from linear gradient elution experiments is proposed.

  1. Effect of variable thermal conductivity on isotherms in Bridgman growth

    NASA Technical Reports Server (NTRS)

    Naumann, R. J.; Lehoczky, S. L.

    1983-01-01

    A change in thermal conductivity associated with melting or solidification can have a profound influence on the isotherms near the solidification interface if the material is being directionally solidified in an ampoule whose walls carry a substantial portion of the heat. This analysis was prompted by a recent discovery that the thermal conductivity of Hg(1-x)CD(x)Te increased dramatically as the material is heated above the solidus curve. An illustrative example is shown in which the sample is approximated as an infinite cylinder with constant but diffferent thermal properties in the solid and melt. The boundary conditions are fixed on the surface by a conductive ampoule in a two-zone Bridgman furnace with an adiabatic region separating the two zones. The effect of the adiabatic zone in this case is to intensify the curvature of the interface rather than to lessen it.

  2. Moisture ingress into electronics enclosures under isothermal conditions

    NASA Astrophysics Data System (ADS)

    Staliulionis, Ž.; Jabbari, M.; Hattel, J. H.

    2016-06-01

    The number of electronics used in outdoor environment is constantly growing. The humidity causes about 19 % of all electronics failures and, especially, moisture increases these problems due to the ongoing process of miniaturization and lower power consumption of electronic components. Moisture loads are still not understood well by design engineers, therefore this field has become one of the bottlenecks in the electronics system design. The objective of this paper is to model moisture ingress into an electronics enclosure under isothermal conditions. The moisture diffusion model is based on a 1D quasi-steady state (QSS) approximation for Fick's second law. This QSS approach is also described with an electrical analogy which gives a fast tool in modelling of the moisture response. The same QSS method is applied to ambient water vapour variations. The obtained results are compared to an analytical solution and very good agreement is found.

  3. The collapse of the cores of slowly rotating isothermal clouds

    NASA Technical Reports Server (NTRS)

    Terebey, S.; Shu, F. H.; Cassen, P.

    1984-01-01

    A generalized model which accounts for the effects of initially uniform and slow rotation is defined for the spherical collapse of a singular isothermal sphere such as protosolar and binary nebulae. An initial unstable equilibrium state is described for a sound speed of 0.35 km/sec and a rotation rate of 10 to the -14th/sec for the molecular cloud surrounding the accreting core. The total angular momentum and mass of the inner cloud is set equal to solar system values. The evolution of the collapse is traced by applying a perturbation analysis to the similarity solution for a nonrotating condition, and matched asymptotic expansions solve the hydrodynamic equations. The model is concluded a valid tool for studying star and nebular disk formation.

  4. Ground Control Setup of the (LIF) Large Isothermal Furnace

    NASA Technical Reports Server (NTRS)

    1995-01-01

    Large Isothermal Furnace (LIF) was flown on a mission in cooperation with the National Space Development Agency (NASDA) of Japan. LIF is a vacuum-heating furnace designed to heat large samples uniformly. The furnace consists of a sample container and heating element surrounded by a vacuum chamber. A crewmemeber will insert a sample cartridge into the furnace. The furnace will be activated and operations will be controlled automatically by a computer in response to an experiment number entered on the control panel. At the end of operations, helium will be discharged into the furnace, allowing cooling to start. Cooling will occur through the use of a water jacket while rapid cooling of samples can be accomplished through a controlled flow of helium. Data from experiments will help scientists better understand this important process which is vital to the production of high-quality semiconductor crystals.

  5. Applications of isothermal titration calorimetry in protein science.

    PubMed

    Liang, Yi

    2008-07-01

    During the past decade, isothermal titration calorimetry (ITC) has developed from a specialist method for understanding molecular interactions and other biological processes within cells to a more robust, widely used method. Nowadays, ITC is used to investigate all types of protein interactions, including protein-protein interactions, protein-DNA/RNA interactions, protein-small molecule interactions and enzyme kinetics; it provides a direct route to the complete thermodynamic characterization of protein interactions. This review concentrates on the new applications of ITC in protein folding and misfolding, its traditional application in protein interactions, and an overview of what can be achieved in the field of protein science using this method and what developments are likely to occur in the near future. Also, this review discusses some new developments of ITC method in protein science, such as the reverse titration of ITC and the displacement method of ITC.

  6. Isothermal microcalorimetry to investigate non specific interactions in biophysical chemistry.

    PubMed

    Ball, Vincent; Maechling, Clarisse

    2009-07-28

    Isothermal titration microcalorimetry (ITC) is mostly used to investigate the thermodynamics of "specific" host-guest interactions in biology as well as in supramolecular chemistry. The aim of this review is to demonstrate that ITC can also provide useful information about non-specific interactions, like electrostatic or hydrophobic interactions. More attention will be given in the use of ITC to investigate polyelectrolyte-polyelectrolyte (in particular DNA-polycation), polyelectrolyte-protein as well as protein-lipid interactions. We will emphasize that in most cases these "non specific" interactions, as their definition will indicate, are favoured or even driven by an increase in the entropy of the system. The origin of this entropy increase will be discussed for some particular systems. We will also show that in many cases entropy-enthalpy compensation phenomena occur.

  7. Isothermal melt processing of Bi-2212 thick films

    NASA Astrophysics Data System (ADS)

    Holesinger, T. G.; Phillips, D. S.; Coulter, J. Y.; Willis, J. O.; Peterson, D. E.

    1995-02-01

    An alternative melt-processing technique has been developed for the fabrication of Bi 2Sr 2CaCu 2O y (Bi-2212) thick films at temperatures over 100°C lower than those employed in conventional Bi-2212 melt processing. Isothermal melt processing combines the melting and solidification steps at the same temperature [T.G. Holesinger et al., Appl. Phys. Lett. 63 (1993) 982]. This technique is possible due to the large drop in the solidus temperature with decreasing oxygen partial pressure. High-quality thick films were processed at temperatures as low as 770°C. Such films were found to be well-textured, contain relatively few secondary phases, and possess critical current densities over 1 × 10 5 A/cm 2 at 4 K in self-field.

  8. Experimental strain of isothermal remanent magnetization in ductile sandstone

    NASA Astrophysics Data System (ADS)

    Borradaile, Graham J.; Mothersill, John S.

    A macroscopically ductile sandstone, to which a homogeneous isothermal remanent magnetization (IRM) was applied, has been deformed at 150 MPa confining pressure and constant strain rate of 10 -5 s -1. Hydrostatic compaction does not produce a deflection of the IRM vector although it is reduced in intensity. Pure shear producing shortening in the range 2 to 35% steadily reduces the intensity of magnetization but also homogeneously rotates the remanence vector toward the plane of flattening. The amount of rotation is slightly less than that expected for a non-material line undergoing homogeneous strain. Deformation selectively removes weakly coercive components of remanence, as revealed by alternating field (AF) demagnetization. During deformation a weak deformational viscous remanent magnetization (DVRM) is acquired from the pressure vessel. This is different from a conventional viscous remanent magnetization (VRM) in that it is not acquired when the specimen is subject to hydrostatic confining pressure alone, even for periods three times longer than the longest deformation test.

  9. Isothermal titration calorimetry of membrane proteins - progress and challenges.

    PubMed

    Rajarathnam, Krishna; Rösgen, Jörg

    2014-01-01

    Integral membrane proteins, including G protein-coupled receptors (GPCR) and ion channels, mediate diverse biological functions that are crucial to all aspects of life. The knowledge of the molecular mechanisms, and in particular, the thermodynamic basis of the binding interactions of the extracellular ligands and intracellular effector proteins is essential to understand the workings of these remarkable nanomachines. In this review, we describe how isothermal titration calorimetry (ITC) can be effectively used to gain valuable insights into the thermodynamic signatures (enthalpy, entropy, affinity, and stoichiometry), which would be most useful for drug discovery studies, considering that more than 30% of the current drugs target membrane proteins. This article is part of a Special Issue entitled: Structural and biophysical characterisation of membrane protein-ligand binding.

  10. Optimal smoothing of site-energy distributions from adsorption isotherms

    SciTech Connect

    Brown, L.F.; Travis, B.J.

    1983-01-01

    The equation for the adsorption isotherm on a heterogeneous surface is a Fredholm integral equation. In solving it for the site-energy distribution (SED), some sort of smoothing must be carried out. The optimal amount of smoothing will give the most information that is possible without introducing nonexistent structure into the SED. Recently, Butler, Reeds, and Dawson proposed a criterion (the BRD criterion) for choosing the optimal smoothing parameter when using regularization to solve Fredholm equations. The BRD criterion is tested for its suitability in obtaining optimal SED's. This criterion is found to be too conservative. While using it never introduces nonexistent structure into the SED, significant information is often lost. At present, no simple criterion for choosing the optimal smoothing parameter exists, and a modeling approach is recommended.

  11. Isothermal Microcalorimetry to Investigate Non Specific Interactions in Biophysical Chemistry

    PubMed Central

    Ball, Vincent; Maechling, Clarisse

    2009-01-01

    Isothermal titration microcalorimetry (ITC) is mostly used to investigate the thermodynamics of “specific” host-guest interactions in biology as well as in supramolecular chemistry. The aim of this review is to demonstrate that ITC can also provide useful information about non-specific interactions, like electrostatic or hydrophobic interactions. More attention will be given in the use of ITC to investigate polyelectrolyte-polyelectrolyte (in particular DNA-polycation), polyelectrolyte-protein as well as protein-lipid interactions. We will emphasize that in most cases these “non specific” interactions, as their definition will indicate, are favoured or even driven by an increase in the entropy of the system. The origin of this entropy increase will be discussed for some particular systems. We will also show that in many cases entropy-enthalpy compensation phenomena occur. PMID:20111693

  12. Liouvillian integrability of gravitating static isothermal fluid spheres

    SciTech Connect

    Iacono, Roberto; Llibre, Jaume

    2014-10-01

    We examine the integrability properties of the Einstein field equations for static, spherically symmetric fluid spheres, complemented with an isothermal equation of state, ρ = np. In this case, Einstein's equations can be reduced to a nonlinear, autonomous second order ordinary differential equation (ODE) for m/R (m is the mass inside the radius R) that has been solved analytically only for n = -1 and n = -3, yielding the cosmological solutions by De Sitter and Einstein, respectively, and for n = -5, case for which the solution can be derived from the De Sitter's one using a symmetry of Einstein's equations. The solutions for these three cases are of Liouvillian type, since they can be expressed in terms of elementary functions. Here, we address the question of whether Liouvillian solutions can be obtained for other values of n. To do so, we transform the second order equation into an equivalent autonomous Lotka–Volterra quadratic polynomial differential system in R² and characterize the Liouvillian integrability of this system using Darboux theory. We find that the Lotka–Volterra system possesses Liouvillian first integrals for n = -1, -3, -5, which descend from the existence of invariant algebraic curves of degree one, and for n = -6, a new solvable case, associated to an invariant algebraic curve of higher degree (second). For any other value of n, eventual first integrals of the Lotka–Volterra system, and consequently of the second order ODE for the mass function must be non-Liouvillian. This makes the existence of other solutions of the isothermal fluid sphere problem with a Liouvillian metric quite unlikely.

  13. Liouvillian integrability of gravitating static isothermal fluid spheres

    NASA Astrophysics Data System (ADS)

    Iacono, Roberto; Llibre, Jaume

    2014-10-01

    We examine the integrability properties of the Einstein field equations for static, spherically symmetric fluid spheres, complemented with an isothermal equation of state, ρ = np. In this case, Einstein's equations can be reduced to a nonlinear, autonomous second order ordinary differential equation (ODE) for m/R (m is the mass inside the radius R) that has been solved analytically only for n = -1 and n = -3, yielding the cosmological solutions by De Sitter and Einstein, respectively, and for n = -5, case for which the solution can be derived from the De Sitter's one using a symmetry of Einstein's equations. The solutions for these three cases are of Liouvillian type, since they can be expressed in terms of elementary functions. Here, we address the question of whether Liouvillian solutions can be obtained for other values of n. To do so, we transform the second order equation into an equivalent autonomous Lotka-Volterra quadratic polynomial differential system in {R}^2, and characterize the Liouvillian integrability of this system using Darboux theory. We find that the Lotka-Volterra system possesses Liouvillian first integrals for n = -1, -3, -5, which descend from the existence of invariant algebraic curves of degree one, and for n = -6, a new solvable case, associated to an invariant algebraic curve of higher degree (second). For any other value of n, eventual first integrals of the Lotka-Volterra system, and consequently of the second order ODE for the mass function must be non-Liouvillian. This makes the existence of other solutions of the isothermal fluid sphere problem with a Liouvillian metric quite unlikely.

  14. Thermal decomposition and non-isothermal decomposition kinetics of carbamazepine

    NASA Astrophysics Data System (ADS)

    Qi, Zhen-li; Zhang, Duan-feng; Chen, Fei-xiong; Miao, Jun-yan; Ren, Bao-zeng

    2014-12-01

    The thermal stability and kinetics of isothermal decomposition of carbamazepine were studied under isothermal conditions by thermogravimetry (TGA) and differential scanning calorimetry (DSC) at three heating rates. Particularly, transformation of crystal forms occurs at 153.75°C. The activation energy of this thermal decomposition process was calculated from the analysis of TG curves by Flynn-Wall-Ozawa, Doyle, distributed activation energy model, Šatava-Šesták and Kissinger methods. There were two different stages of thermal decomposition process. For the first stage, E and log A [s-1] were determined to be 42.51 kJ mol-1 and 3.45, respectively. In the second stage, E and log A [s-1] were 47.75 kJ mol-1 and 3.80. The mechanism of thermal decomposition was Avrami-Erofeev (the reaction order, n = 1/3), with integral form G(α) = [-ln(1 - α)]1/3 (α = ˜0.1-0.8) in the first stage and Avrami-Erofeev (the reaction order, n = 1) with integral form G(α) = -ln(1 - α) (α = ˜0.9-0.99) in the second stage. Moreover, Δ H ≠, Δ S ≠, Δ G ≠ values were 37.84 kJ mol-1, -192.41 J mol-1 K-1, 146.32 kJ mol-1 and 42.68 kJ mol-1, -186.41 J mol-1 K-1, 156.26 kJ mol-1 for the first and second stage, respectively.

  15. Interaction of hydrogen chloride with alumina. [atmospheric effluent concentrations and interaction of solid rocket propellants used in space shuttle

    NASA Technical Reports Server (NTRS)

    Bailey, R. R.; Wightman, J. P.

    1978-01-01

    The influence of temperature, pressure, and outgas conditions on the absorption of hydrogen chloride and water vapor on both alpha and gamma alumina was studied. Characterization of the adsorbents was performed using X-ray powder diffraction, scanning electron microscopy (SEM), low temperature nitrogen adsorption desorption measurements, BET nitrogen surface area measurements and electron spectroscopy for chemical analysis (ESCA). Water vapor adsorption isotherms at 30, 40, and 50 C were measured on alpha and gamma alumina after outgassing at 80, 200, and 400 C. Both outgas temperature and adsorption temperature influenced the adsorption of water vapor on the aluminas. The water vapor adsorption was completely reversible. Alpha alumina absorbed more water per unit area than gamma alumina. Differences in the adsorption capacity for water vapor of the two aluminas were explained on the basis of ideal surface models of alpha and gamma alumina. Isosteric heats of adsorption for water vapor on the aluminas were determined over a limited range of surface coverage.

  16. Measuring variations of δ18O and δ2H in atmospheric water vapour using two commercial laser-based spectrometers: an instrument characterisation study

    NASA Astrophysics Data System (ADS)

    Aemisegger, F.; Sturm, P.; Graf, P.; Sodemann, H.; Pfahl, S.; Knohl, A.; Wernli, H.

    2012-07-01

    Variations of stable water isotopes in water vapour have become measurable at a measurement frequency of about 1 Hz in recent years using novel laser spectroscopic techniques. This enables us to perform continuous measurements for process-based investigations of the atmospheric water cycle at the time scales relevant for synoptic and mesoscale meteorology. An important prerequisite for the interpretation of data from automated field measurements lasting for several weeks or months is a detailed knowledge about instrument properties and the sources of measurement uncertainty. We present here a comprehensive characterisation and comparison study of two commercial laser spectroscopic systems based on cavity ring-down spectroscopy (Picarro) and off-axis integrated cavity output spectroscopy (Los Gatos Research). The uncertainty components of the measurements were first assessed in laboratory experiments, focussing on the effects of (i) water vapour mixing ratio, (ii) measurement stability, (iii) uncertainties due to calibration and (iv) response times of the isotope measurements due to adsorption-desorption processes on the tubing and measurement cavity walls. Based on the experience from our laboratory experiments, we set up a one-week field campaign for comparing measurements of the ambient isotope signals from the two laser spectroscopic systems. The optimal calibration strategy determined for both instruments was applied as well as the correction functions for water vapour mixing ratio effects. The root mean square difference between the isotope signals from the two instruments during the field deployment was 2.3‰ for δ2H, 0.5‰ for δ18O and 3.1‰ for deuterium excess. These uncertainty estimates from field measurements compare well to those found in the laboratory experiments. The present quality of measurements from laser spectroscopic instruments combined with a calibration system opens new possibilities for investigating the atmospheric water cycle and

  17. Chromatographic and traditional albumin isotherms on cellulose: a model for wound protein adsorption on modified cotton.

    PubMed

    Edwards, J Vincent; Castro, Nathan J; Condon, Brian; Costable, Carmen; Goheen, Steven C

    2012-05-01

    Albumin is the most abundant protein found in healing wounds. Traditional and chromatographic protein isotherms of albumin binding on modified cotton fibers are useful in understanding albumin binding to cellulose wound dressings. An important consideration in the design of cellulosic wound dressings is adsorption and accumulation of proteins like albumin at the solid-liquid interface of the biological fluid and wound dressing fiber. To better understand the effect of fiber charge and molecular modifications in cellulose-containing fibers on the binding of serum albumin as observed in protease sequestrant dressings, albumin binding to modified cotton fibers was compared with traditional and chromatographic isotherms. Modified cotton including carboxymethylated, citrate-crosslinked, dialdehyde and phosphorylated cotton, which sequester elastase and collagenase, were compared for their albumin binding isotherms. Albumin isotherms on citrate-cellulose, cross-linked cotton demonstrated a two-fold increased binding affinity over untreated cotton. A comparison of albumin binding between traditional, solution isotherms and chromatographic isotherms on modified cellulose yielded similar equilibrium constants. Application of the binding affinity of albumin obtained in the in vitro protein isotherm to the in vivo wound dressing uptake of the protein is discussed. The chromatographic approach to assessment of albumin isotherms on modified cellulose offers a more rapid approach to evaluating protein binding on modified cellulose over traditional solution approaches.

  18. Using Compression Isotherms of Phospholipid Monolayers to Explore Critical Phenomena: A Biophysical Chemistry Experiment

    ERIC Educational Resources Information Center

    Gragson, Derek E.; Beaman, Dan; Porter, Rhiannon

    2008-01-01

    Two experiments are described in which students explore phase transitions and critical phenomena by obtaining compression isotherms of phospholipid monolayers using a Langmuir trough. Through relatively simple analysis of their data students gain a better understanding of compression isotherms, the application of the Clapeyron equation, the…

  19. Revisiting Isotherm Analyses Using R: Comparison of Linear, Non-linear, and Bayesian Techniques

    EPA Science Inventory

    Extensive adsorption isotherm data exist for an array of chemicals of concern on a variety of engineered and natural sorbents. Several isotherm models exist that can accurately describe these data from which the resultant fitting parameters may subsequently be used in numerical ...

  20. Single primer-triggered isothermal amplification for double-stranded DNA detection.

    PubMed

    Ma, Cuiping; Han, Dianang; Deng, Meilian; Wang, Jingfei; Shi, Chao

    2015-01-11

    Here we have devised a new generation of isothermal double-stranded DNA (dsDNA) detection method, termed single primer-triggered isothermal amplification (SAMP). It is very simple only requiring one primer and a few copies of dsDNA in less than an hour are detectable with multiple signal amplification steps.

  1. A Sixth-Form Teaching Unit on the Langmuir Adsorption Isotherm

    ERIC Educational Resources Information Center

    Walkley, G. H.

    1973-01-01

    Presents a teaching unit on the Langmuir absorption isotherm suitable for advanced secondary school chemistry classes. Describes the experimental investigation of the isothermal adsorption of sulfur dioxide on charcoal, and discusses the derivation of the Langmuir equation and some applications. (JR)

  2. On an isotherm thermodynamically consistent in Henry's region for describing gas adsorption in microporous materials.

    PubMed

    Pera-Titus, Marc

    2010-05-15

    The Dubinin-Astakhov and Dubinin-Radushkevich isotherms, originally formulated from the classical volume filling theory of micropores, constitute the most accepted models for describing gas adsorption in microporous materials. The most important weakness of these equations relies on the fact that they do not reduce to Henry's law at low pressures, not providing therefore a proper characterization of adsorbents in the early stage of adsorption. In this paper, we propose a way out of this inherent problem using the thermodynamic isotherm developed in a previous study [J. Llorens, M. Pera-Titus, J. Colloid Interface Sci. 331 (2009) 302]. This isotherm allows the generation of a series of equations that make available a comprehensive description of gas adsorption for the whole set of relative pressures (including Henry's region), also providing explicit information about energy heterogeneity of the adsorbent through the two characteristic m parameters of the thermodynamic isotherm (i.e., m(1) and m(2)). The obtained isotherm converges into the Dubinin-Astakhov isotherm for relative pressures higher than 0.1, the characteristic α parameter of this isotherm being expressed as α=m(2)-1 and the affinity coefficient (β) as a sole function of m(2). An expression differing from the Dubinin-Astakhov isotherm has been obtained for describing Henry's region, providing relevant information about confinement effects when applied to zeolites.

  3. Ciprofloxacin adsorption on graphene and granular activated carbon: kinetics, isotherms, and effects of solution chemistry.

    PubMed

    Zhu, Xuan; Tsang, Daniel C W; Chen, Feng; Li, Shiyu; Yang, Xin

    2015-01-01

    Ciprofloxacin (CIP) is a commonly used antibiotic and widely detected in wastewaters and farmlands nowadays. This study evaluated the efficacy of next-generation adsorbent (graphene) and conventional adsorbent (granular activated carbon, GAC) for CIP removal. Batch experiments and characterization tests were conducted to investigate the adsorption kinetics, equilibrium isotherms, thermodynamic properties, and the influences of solution chemistry (pH, ionic strength, natural organic matter (NOM), and water sources). Compared to GAC, graphene showed significantly faster adsorption and reached equilibrium within 3 min, confirming the rapid access of CIP into the macroporous network of high surface area of graphene as revealed by the Brunner-Emmet-Teller measurements analysis. The kinetics was better described by a pseudo-second-order model, suggesting the importance of the initial CIP concentration related to surface site availability of graphene. The adsorption isotherm on graphene followed Langmuir model with a maximum adsorption capacity of 323 mg/g, which was higher than other reported carbonaceous adsorbents. The CIP adsorption was thermodynamically favourable on graphene and primarily occurred through π - π interaction, according to the FTIR spectroscopy. While the adsorption capacity of graphene decreased with increasing solution pH due to the speciation change of CIP, the adverse effects of ionic strength (0.01-0.5 mol L(-1)), presence of NOM (5 mg L⁻¹), and different water sources (river water or drinking water) were less significant on graphene than GAC. These results indicated that graphene can serve as an alternative adsorbent for CIP removal in commonly encountered field conditions, if proper separation and recovery is available in place.

  4. Expanding the elution by characteristic point method for determination of various types of adsorption isotherms.

    PubMed

    Samuelsson, Jörgen; Undin, Torgny; Fornstedt, Torgny

    2011-06-17

    Important improvements have recently been made on the elution by characteristic point (ECP) method to increase the accuracy of the determined adsorption isotherms. However, the method has so far been limited/used for only type I adsorption isotherms (e.g. Langmuir, Tóth, bi-Langmuir). In this study, general strategies are developed to expand the ECP method for the determination of more complex adsorption isotherms including such containing inflection points. We will exemplify the methodology with type II, type III and type V isotherms. Guidelines are given for how to determine such isotherms using the ECP method and for the experimental considerations that must be taken into account or that may be eliminated in the particular case.

  5. A novel interferometric technique to estimate thermal diffusivity of optically transparent solid using isothermal surface velocimetry

    NASA Astrophysics Data System (ADS)

    Settu, Balachandar; Shivaprakash, N. C.; Kameswara Rao, L.

    2015-07-01

    One-dimensional transient heat flow is interpreted as a procession of `macro-scale translatory motion of indexed isothermal surfaces'. A new analytical model is proposed by introducing velocity of isothermal surface in Fourier heat diffusion equation. The velocity dependent function is extracted by revisiting `the concept of thermal layer of heat conduction in solid' and `exact solution' to estimate thermal diffusivity. The experimental approach involves establishment of 1 D unsteady heat flow inside the sample through Step-temperature excitation. A novel self-reference interferometer is utilized to separate a `unique isothermal surface' in time- varying temperature field. The translatory motion of the said isothermal surface is recorded using digital camera to estimate its velocity. From the knowledge of thermo-optic coefficient, temperature of the said isothermal surface is predicted. The performance of proposed method is evaluated for Quartz sample and compared with literature.

  6. Isothermal Transformation of a Commercial Super-Bainitic Steel: Part I Microstructural Characterization and Hardness

    NASA Astrophysics Data System (ADS)

    Han, Ying; Xiu, Wencui; Liu, Cheng; Wu, Hua

    2017-02-01

    The effects of isothermal treatment on the microstructure and hardness of commercial super-bainitic steel were investigated. A series of isothermal treatments were carried out at temperatures of 210-250 °C for different time periods. The results indicate that the bainitic reaction and hardness were very sensitive to the isothermal transformation temperature. The fine super-bainitic microstructure, containing the carbide-free bainitic ferrite lath and the carbon-enriched retained austenite film, can be produced by heating to 210 °C for 30 h, resulting in a hardness of 662 HV. By increasing the isothermal transformation temperature, the bainitic transformation kinetic is accelerated; however, this is at the expense of coarsening bainitic ferrite laths and decreasing the bainitic ferrite quantity. The relationship between hardness and microstructures obtained under different isothermal treatments, which is correlated with the carbon concentration, dislocation density, bainitic amount and super-bainite size, is discussed in detail.

  7. Nanoscale zero-valent iron incorporated with nanomagnetic diatomite for catalytic degradation of methylene blue in heterogeneous Fenton system.

    PubMed

    Zha, Yiming; Zhou, Ziqing; He, Haibo; Wang, Tianlin; Luo, Liqiang

    2016-01-01

    Nanoscale zero-valent iron (nZVI) incorporated with nanomagnetic diatomite (DE) composite material was prepared for catalytic degradation of methylene blue (MB) in heterogeneous Fenton system. The material was constructed by two facile steps: Fe3O4 magnetic nanoparticles were supported on DE by chemical co-precipitation method, after which nZVI was incorporated into magnetic DE by liquid-phase chemical reduction strategy. The as-prepared catalyst was characterized by scanning electron microscopy, Fourier-transform infrared spectroscopy, X-ray diffraction, magnetic properties measurement and nitrogen adsorption-desorption isotherm measurement. The novel nZVI@Fe3O4-diatomite nanocomposites showed a distinct catalytic activity and a desirable effect for degradation of MB. MB could be completely decolorized within 8 min and the removal efficiency of total organic carbon could reach to 90% after reaction for 1 h.

  8. Magneto-Sensitive Adsorbents Modified by Functional Nitrogen-Containing Groups

    NASA Astrophysics Data System (ADS)

    Melnyk, Inna V.; Gdula, Karolina; Dąbrowski, Andrzej; Zub, Yuriy L.

    2016-02-01

    In order to obtain amino-functionalized silica materials with magnetic core, one-step synthesis was carried out. Several materials, differ in number and structure of amino groups, were synthesized on the basis of sol-gel method. The synthesized materials were examined by several analytical techniques. The presence and content of amino groups were measured by using Diffuse Reflectance Infrared Fourier Transform (DRIFT) spectroscopy and acid-base titration, respectively. Specific surface areas were measured by nitrogen/adsorption desorption isotherms. It was proved that sol-gel approach leads to obtain materials with high content of amino groups built into their surfaces (in the range 1.6-2.7 mmol/g). As-obtained materials were tested as potential adsorbents for copper(II) ions. The received maximum adsorption capacities were in the range 0.4-0.7 mmol/g.

  9. Measuring fast variations of δ^{18}O and δ^2H in atmospheric water vapour using laser spectroscopy: an instrument inter-comparison and characterisation study

    NASA Astrophysics Data System (ADS)

    Aemisegger, F.; Sturm, P.; Graf, P.; Sodemann, H.; Pfahl, S.; Knohl, A.; Wernli, H.

    2012-04-01

    Fast variations of stable water isotopes in water vapour have become measurable lately using novel laser spectroscopic techniques. This allows us to perform process-based investigations of the atmospheric water cycle at the time scales of significant weather events. An important prerequisite for such studies implying automatic field measurements lasting for several weeks or even months is a detailed knowledge about sources of uncertainty and instrument properties. We present a comprehensive characterisation and comparison study of two commercial laser spectroscopic systems based on cavity ring-down spectroscopy (Picarro) and off-axis integrated cavity output spectroscopy (Los Gatos Resarch). The old versions (L1115-i, WVIA) and the new versions (L2130-i, WVIA-EP) of both systems were tested. The uncertainty components of the measurements were assessed in laboratory experiments, focussing on effects of (i) water vapour mixing ratio, (ii) measurement stability, (iii) uncertainties due to calibration and (iv) response times of the isotope measurements due to adsorption-desorption processes on the tubing and measurement cavity walls. Knowledge from our laboratory experiments was used to setup a one-week field campaign for comparing measurements of the ambient isotope signals from the L1115-i and WVIA systems. The optimal calibration strategy determined for both instruments was applied as well as the correction functions for water vapour mixing ratio effects. Using this field measurement data we address the question of how well the deuterium excess (d=δ2H-8δ18O) of atmospheric water vapour can be determined with laser spectroscopy. The deuterium excess is an interesting parameter for process-based atmospheric water cycle studies, which depends on humidity and temperature conditions at source location of water vapour. Up to now only very few high-time-resolution measurements of deuterium excess exist. Our concurrent measurements of atmospheric isotopes in water vapour

  10. Comparison of isothermal and cyclic oxidation behavior of twenty-five commercial sheet alloys at 1150 C

    NASA Technical Reports Server (NTRS)

    Barrett, C. A.; Lowell, C. E.

    1974-01-01

    The cyclic and isothermal oxidation resistance of 25 high-temperature Ni-, Co-, and Fe-base sheet alloys after 100 hours in air at 1150 C was compared. The alloys were evaluated in terms of their oxidation, scaling, and vaporization rates and their tendency for scale spallation. These values were used to develop an oxidation rating parameter based on effective thickness change, as calculated from a mass balance. The calculated thicknesses generally agreed with the measured values, including grain boundary oxidation, to within a factor of 3. Oxidation behavior was related to composition, particularly Cr and Al content.

  11. Measuring $\

    SciTech Connect

    Mitchell, Jessica Sarah

    2011-01-01

    The MINOS Experiment consists of two steel-scintillator calorimeters, sampling the long baseline NuMI muon neutrino beam. It was designed to make a precise measurement of the ‘atmospheric’ neutrino mixing parameters, Δm2 atm. and sin2 (2 atm.). The Near Detector measures the initial spectrum of the neutrino beam 1km from the production target, and the Far Detector, at a distance of 735 km, measures the impact of oscillations in the neutrino energy spectrum. Work performed to validate the quality of the data collected by the Near Detector is presented as part of this thesis. This thesis primarily details the results of a vμ disappearance analysis, and presents a new sophisticated fitting software framework, which employs a maximum likelihood method to extract the best fit oscillation parameters. The software is entirely decoupled from the extrapolation procedure between the detectors, and is capable of fitting multiple event samples (defined by the selections applied) in parallel, and any combination of energy dependent and independent sources of systematic error. Two techniques to improve the sensitivity of the oscillation measurement were also developed. The inclusion of information on the energy resolution of the neutrino events results in a significant improvement in the allowed region for the oscillation parameters. The degree to which sin2 (2θ )= 1.0 could be disfavoured with the exposure of the current dataset if the true mixing angle was non-maximal, was also investigated, with an improved neutrino energy reconstruction for very low energy events. The best fit oscillation parameters, obtained by the fitting software and incorporating resolution information were: | Δm2| = 2.32+0.12 -0.08×10-3 eV2 and sin2 (2θ ) > 0.90(90% C.L.). The analysis provides the current world best measurement of the atmospheric neutrino mass

  12. Energetics of genome ejection from phage revealed by isothermal titration calorimetry

    NASA Astrophysics Data System (ADS)

    Jeembaeva, Meerim; Jonsson, Bengt; Castelnovo, Martin; Evilevitch, Alex

    2009-03-01

    It has been experimentally shown that ejection of double-stranded DNA from phage is driven by internal pressure reaching tens of atmospheres. This internal pressure is partially responsible for delivery of DNA into the host cell. While several theoretical models and simulations nicely describe the experimental data of internal forces either resisting active packaging or equivalently favoring spontaneous ejection, there are no direct energy measurements available that would help to verify how quantitative these theories are. We performed direct measurements of the enthalpy responsible for DNA ejection from phage λ, using Isothermal Titration Calorimetry. The phage capsids were ``opened'' in vitro by titrating λ into a solution with LamB receptor and the enthalpy of DNA ejection process was measured. In his way, enthalpy stored in λ was determined as a function of packaged DNA length comparing wild-type phage λ (48.5 kb) with a shorter λ-DNA length mutant (37.7 kb). The temperature dependence of the ejection enthalpy was also investigated. The values obtained were in good agreement with existing models and provide a better understanding of ds- DNA packaging and release mechanisms in motor-packaged viruses (e.g., tailed bacteriophages, Herpes Simplex, and adenoviruses).

  13. Advantages of isothermal titration calorimetry for xylanase kinetics in comparison to chemical-reducing-end assays.

    PubMed

    Baumann, Martin J; Murphy, Leigh; Lei, Nina; Krogh, Kristian B R M; Borch, Kim; Westh, Peter

    2011-03-01

    In lignocellulosic raw materials for biomass conversion, hemicelluloses constitute a substantial fraction, with xylan being the primary part. Although many pretreatments reduce the amount or change the distribution of xylan, it is important to degrade residual xylan so as to improve the overall yield. Typically, xylanase reaction rates are measured in stopped assays by chemical quantification of the reducing ends. With isothermal titration calorimetry (ITC), the heat flow of the hydrolysis can be measured in continuous fashion, with the reaction rate being directly proportional to the heat flow. Reaction enthalpies for carbohydrate hydrolysis are typically below 5kJ/mol, which is the limiting factor for straight forward calorimetric quantification of enzymatic reaction rates using current ITC technology. To increase the apparent reaction enthalpy, we employed a subsequent oxidation of hydrolysis products by carbohydrate oxidase and catalase. Here we show that the coupled assay with carbohydrate oxidase and catalase can be used to measure enzyme kinetics of a GH10 xylanase from Aspergillus aculeatus on birch xylan and wheat arabinoxylan. Results are discussed in the light of a critical analysis of the sensitivity of four chemical-reducing-end quantification methods using well-characterized substrates.

  14. Singular Isothermal Disks. Paper 2; Nonaxiymmetric Bifurcations and Equilibria

    NASA Technical Reports Server (NTRS)

    Galli, Danielle; Shu, Frank H.; Laughlin, Gregory; Lizano, Susana

    2000-01-01

    We review the difficulties of the classical fission and fragmentation hypotheses for the formation of binary and multiple stars. A crucial missing ingredient in previous theoretical studies is the inclusion of dynamically important levels of magnetic fields. As a minimal model for a candidate presursor to the formation of binary and multiple stars, we therefore formulate and solve the problem of the equilibria of isopedically magnetized, singular isothermal disks, without the assumption of axial symmetry. Considerable analytical progress can be made if we restrict our attention to models that are scale-free, i.e., that have surface densities that vary inversely with distance omega from the rotation axis of the system. In agreement with earlier analysis by Syer and Tremaine, we find that lopsided (M = 1) configurations exist at any dimensionless rotation rate, including zero. Multiple-lobed (M = 2, 3, 4, ...) configurations bifurcate from an underlying axisymmetric sequence at progressively higher dimensionless rates of rotation, but such nonaxisymmetric sequences always terminate in shockwaves before they have a chance to fission into M = 2, 3, 4, ... separate bodies. On the basis of our experience in this paper, we advance the hypothesis that binary and multiple star-formation from smooth (i.e., not highly turbulent) starting states that are supercritical but in unstable mechanical balance requires the rapid (i.e., dynamical) loss of magnetic flux at some stage of the ensuing gravitational collapse.

  15. Robust isothermal electric control of exchange bias at room temperature.

    PubMed

    He, Xi; Wang, Yi; Wu, Ning; Caruso, Anthony N; Vescovo, Elio; Belashchenko, Kirill D; Dowben, Peter A; Binek, Christian

    2010-07-01

    Voltage-controlled spin electronics is crucial for continued progress in information technology. It aims at reduced power consumption, increased integration density and enhanced functionality where non-volatile memory is combined with high-speed logical processing. Promising spintronic device concepts use the electric control of interface and surface magnetization. From the combination of magnetometry, spin-polarized photoemission spectroscopy, symmetry arguments and first-principles calculations, we show that the (0001) surface of magnetoelectric Cr(2)O(3) has a roughness-insensitive, electrically switchable magnetization. Using a ferromagnetic Pd/Co multilayer deposited on the (0001) surface of a Cr(2)O(3) single crystal, we achieve reversible, room-temperature isothermal switching of the exchange-bias field between positive and negative values by reversing the electric field while maintaining a permanent magnetic field. This effect reflects the switching of the bulk antiferromagnetic domain state and the interface magnetization coupled to it. The switchable exchange bias sets in exactly at the bulk Néel temperature.

  16. Robust isothermal electric control of exchange bias at room temperature

    SciTech Connect

    He, X.; Vescovo, E.; Wang, Y.; Caruso, A.N.; Belashchenko, K.D.; Dowben, P.A.; Binek, C.

    2010-06-20

    Voltage-controlled spin electronics is crucial for continued progress in information technology. It aims at reduced power consumption, increased integration density and enhanced functionality where non-volatile memory is combined with high-speed logical processing. Promising spintronic device concepts use the electric control of interface and surface magnetization. From the combination of magnetometry, spin-polarized photoemission spectroscopy, symmetry arguments and first-principles calculations, we show that the (0001) surface of magnetoelectric Cr{sub 2}O{sub 3} has a roughness-insensitive, electrically switchable magnetization. Using a ferromagnetic Pd/Co multilayer deposited on the (0001) surface of a Cr{sub 2}O{sub 3} single crystal, we achieve reversible, room-temperature isothermal switching of the exchange-bias field between positive and negative values by reversing the electric field while maintaining a permanent magnetic field. This effect reflects the switching of the bulk antiferromagnetic domain state and the interface magnetization coupled to it. The switchable exchange bias sets in exactly at the bulk Neel temperature.

  17. Thermodynamic analysis of sorption isotherms of cassava (Manihot esculenta).

    PubMed

    Koua, Blaise Kamenan; Koffi, Paul Magloire Ekoun; Gbaha, Prosper; Toure, Siaka

    2014-09-01

    Sorption isotherms of cassava were determined experimentally using a static gravimetric method at 30, 45 and 60 °C and within the range of 0.10-0.90 water activity. At a constant water activity, equilibrium moisture content decreased with increasing temperature. The equilibrium moisture content increased with increasing water activity at a given temperature. The experimental results were modelled using seven sorption models using non-linear regression technique. Results demonstrated that the GAB model adequately predicted equilibrium moisture content of cassava for the range of temperatures and water activities studied. The thermodynamic functions such as net isosteric heat of sorption, differential entropy of sorption, net integral enthalpy and entropy were evaluated to provide an understanding of the properties of water and energy requirements associated with the sorption behaviour. Net isosteric heat and differential entropy decreased with increasing equilibrium moisture content. The net integral enthalpy decreased while net integral entropy increased with increasing equilibrium moisture content. Net integral entropy was negative in value. All thermodynamic functions were adequately characterised by a power law model. The point of maximum stability was found between 0.053 and 0.154 kg water/kg db for cassava.

  18. STAR: a simple TAL effector assembly reaction using isothermal assembly

    PubMed Central

    Gogolok, Sabine; Garcia-Diaz, Claudia; Pollard, Steven M.

    2016-01-01

    Transcription activator-like effectors (TALEs) contain modular programmable DNA binding domains. Fusing TALEs with effector domains creates synthetic transcription factors (TALE-TFs) or nucleases (TALENs), enabling precise gene manipulations. The construction of TALEs remains challenging due to their repetitive sequences. Here we report a simple TALE assembly reaction (STAR) that enables individual laboratories to generate multiple TALEs in a facile manner. STAR uses an isothermal assembly (‘Gibson assembly’) that is labour- and cost-effective, accessible, rapid and scalable. A small 68-part fragment library is employed, and the specific TALE repeat sequence is generated within ~8 hours. Sequence-verified TALENs or TALE-TF plasmids targeting 17 bp target sequences can be produced within three days, without the need for stepwise intermediate plasmid production. We demonstrate the utility of STAR through production of functional TALE-TFs capable of activating human SOX2 expression. STAR addresses some of the shortcomings of existing Golden Gate or solid-phase assembly protocols and enables routine production of TALE-TFs that will complement emerging CRISPR/Cas9-based reagents across diverse applications in mammalian stem cell and synthetic biology. PMID:27615025

  19. Gravitational lensing by an ensemble of isothermal galaxies

    NASA Astrophysics Data System (ADS)

    Katz, Neal; Paczynski, Bohdan

    1987-06-01

    Calculation of 28,000 models of gravitational lensing of a distant quasar by an ensemble of randomly placed galaxies, each having a singular isothermal mass distribuiton, is reported. The average surface mass density was 0.2 of the critical value in all models. It is found that the surface mass density averaged over the area of the smallest circle that encompasses the multiple images is 0.82, only slightly smaller than expected from a simple analytical model of Turner et al. (1984). The probability of getting multiple images is also as large as expected analytically. Gravitational lensing is dominated by the matter in the beam; i.e., by the beam convergence. The cases where the multiple imaging is due to asymmetry in mass distribution (i.e., due to shear) are very rare. Therefore, the observed gravitational-lens candidates for which no lensing object has been detected between the images cannot be a result of asymmetric mass distribution outside the images, at least in a model with randomly distributed galaxies. A surprisingly large number of large separations between the multiple images is found: up to 25 percent of multiple images have their angular separation 2 to 4 times larger than expected in a simple analytical model.

  20. A new approach in regression analysis for modeling adsorption isotherms.

    PubMed

    Marković, Dana D; Lekić, Branislava M; Rajaković-Ognjanović, Vladana N; Onjia, Antonije E; Rajaković, Ljubinka V

    2014-01-01

    Numerous regression approaches to isotherm parameters estimation appear in the literature. The real insight into the proper modeling pattern can be achieved only by testing methods on a very big number of cases. Experimentally, it cannot be done in a reasonable time, so the Monte Carlo simulation method was applied. The objective of this paper is to introduce and compare numerical approaches that involve different levels of knowledge about the noise structure of the analytical method used for initial and equilibrium concentration determination. Six levels of homoscedastic noise and five types of heteroscedastic noise precision models were considered. Performance of the methods was statistically evaluated based on median percentage error and mean absolute relative error in parameter estimates. The present study showed a clear distinction between two cases. When equilibrium experiments are performed only once, for the homoscedastic case, the winning error function is ordinary least squares, while for the case of heteroscedastic noise the use of orthogonal distance regression or Margart's percent standard deviation is suggested. It was found that in case when experiments are repeated three times the simple method of weighted least squares performed as well as more complicated orthogonal distance regression method.

  1. Isothermal separation processes update. Energy Conversion and Utilization Technologies Program

    SciTech Connect

    England, C.

    1984-08-01

    The isothermal processes of membrane separation, supercritical extraction and condensed-phase chromatography were examined using availability analysis, a method which addresses the thermodynamic value of energy as well as its amount. The general approach was to derive equations that identified where energy, expressed in terms of thermodynamic work, is consumed in these processes and how they compare with conventional separation methods. These separation methods are characterized by pure work inputs, chiefly in the form of a pressure drop which supplies the required energy. Equations were derived for the energy requirement in terms of the theories of ideal and regular solutions. This approach is believed to accurately predict the work of separation in terms of the heat of solution and the entropy of mixing. It can form the basis of a convenient calculation method for optimizing membrane and solvent properties for particular applications. Close examination of supercritical extraction found a relatively simple thermodynamic relationship among the thermodynamic properties of the solvent, the entropy of mixing, and the heat of solution. This allows a direct estimate of the work requirements. The actual work, however, is largely due to the requirement to cycle pressure at high levels in this method. Still, the energy requirements are very low, making up for usually high capital costs for equipment. 12 references, 9 figures, 2 tables.

  2. Colloidal stability dependence on polymer adsorption through disjoining pressure isotherms.

    PubMed

    Goicochea, A Gama; Nahmad-Achar, E; Pérez, E

    2009-04-09

    The disjoining pressure of polymers confined by colloidal walls was computed using dissipative particle dynamics simulations at constant chemical potential, volume, and temperature. The polymers are able to adsorb on the surfaces according to two models. In the so-called surface-modifying polymers, all monomers composing the chains have the same affinity for the substrate, whereas for the end-grafted polymer only the monomer at one of the ends of the polymer molecule adsorbs on the colloidal surface, resembling the behavior of dispersing agents. We find that these adsorption models yield markedly different disjoining pressure isotherms, which in turn predict different stability conditions for the colloidal dispersion. Our results show that for end-grafted polymers, a larger degree of polymerization at the same monomer concentration leads to better stability than for the surface-modifying ones. But also the unbound monomers of the surface-modifying type dominate over both kinds of polymers at large surface distances. The origin of these differences when the chemical nature of monomers is the same, and molecular weight and polymer concentration are used to characterize colloidal stability, is found to be mainly entropic.

  3. Visualisation of isothermal large coherent structures in a swirl burner

    SciTech Connect

    Valera-Medina, A.; Syred, N.; Griffiths, A.

    2009-09-15

    Lean premixed combustion using swirl flame stabilisation is widespread amongst gas turbine manufacturers. The use of swirl mixing and flame stabilisation is also prevalent in many other non-premixed systems. Problems that emerge include loss of stabilisation as a function of combustor geometry and thermo-acoustic instabilities. Coherent structures and their relationship with combustion processes have been a concern for decades due to their complex nature. This paper thus adopts an experimental approach to characterise large coherent structures in swirl burners under isothermal conditions so as to reveal the effects of swirl in a number of geometries and cold flow patterns that are relevant in combustion. Aided by techniques such as Hot Wire Anemometry, High Speed Photography and Particle Image Velocimetry, the recognition of several structures was achieved in a 100 kW swirl burner model. Several varied, interacting, structures developed in the field as a consequence of the configurations used. New structures never observed before were identified, the results not only showing the existence of very well defined large structures, but also their dependency on geometrical and flow parameters. The PVC is confirmed to be a semi-helical structure, contrary to previous simulations performed on the system. The appearance of secondary recirculation zones and suppression of the vortical core as a consequence of geometrical constrictions are presented as a mechanism of flow control. The asymmetry of the Central Recirculation Zone in cold flows is observed in all the experiments, with its elongation dependent on Re and swirl number used. (author)

  4. Flight software development for the isothermal dendritic growth experiment

    NASA Technical Reports Server (NTRS)

    Levinson, Laurie H.; Winsa, Edward A.; Glicksman, Martin E.

    1989-01-01

    The Isothermal Dendritic Growth Experiment (IDGE) is a microgravity materials science experiment scheduled to fly in the cargo bay of the shuttle on the United States Microgravity Payload (USMP) carrier. The experiment will be operated by real-time control software which will not only monitor and control onboard experiment hardware, but will also communicate, via downlink data and uplink commands, with the Payload Operations Control Center (POCC) at NASA George C. Marshall Space Flight Center (MSFC). The software development approach being used to implement this system began with software functional requirements specification. This was accomplished using the Yourdon/DeMarco methodology as supplemented by the Ward/Mellor real-time extensions. The requirements specification in combination with software prototyping was then used to generate a detailed design consisting of structure charts, module prologues, and Program Design Language (PDL) specifications. This detailed design will next be used to code the software, followed finally by testing against the functional requirements. The result will be a modular real-time control software system with traceability through every phase of the development process.

  5. Kinetics and isotherms of Neutral Red adsorption on peanut husk.

    PubMed

    Han, Runping; Han, Pan; Cai, Zhaohui; Zhao, Zhenhui; Tang, Mingsheng

    2008-01-01

    Adsorption of Neutral Red (NR) onto peanut husk in aqueous solutions was investigated at 295 K. Experiments were carried out as function of pH, adsorbent dosage, contact time, and initial concentration. The equilibrium adsorption data were analyzed by Langmuir, Freundlich, Temkin, Dubinin-Radushkevich, and Toth isotherm models. The results indicated that the Toth and Langmuir models provided the best correlation of the experimental data. The adsorption capacity of peanut husk for the removal of NR was determined with the Langmuir and found to be 37.5 mg/g at 295 K. The adsorption kinetic data were modeled using the pseudo-first order, pseudo-second order, and intra-particle diffusion kinetic equations. It was seen that the pseudo-first order and pseudo-second order kinetic equations could describe the adsorption kinetics. The intraparticle diffusion model was also used to express the adsorption process at the two-step stage. It was implied that peanut husk may be suitable as adsorbent material for adsorption of NR from aqueous solutions.

  6. Isothermal pumping analysis for high-altitude tethered balloons

    PubMed Central

    Kuo, Kirsty A.; Hunt, Hugh E. M.

    2015-01-01

    High-altitude tethered balloons have potential applications in communications, surveillance, meteorological observations and climate engineering. To maintain balloon buoyancy, power fuel cells and perturb atmospheric conditions, fluids could be pumped from ground level to altitude using the tether as a hose. This paper examines the pumping requirements of such a delivery system. Cases considered include delivery of hydrogen, sulfur dioxide (SO2) and powders as fluid-based slurries. Isothermal analysis is used to determine the variation of pressures and velocities along the pipe length. Results show that transport of small quantities of hydrogen to power fuel cells and maintain balloon buoyancy can be achieved at pressures and temperatures that are tolerable in terms of both the pipe strength and the current state of pumping technologies. To avoid solidification, transport of SO2 would require elevated temperatures that cannot be tolerated by the strength fibres in the pipe. While the use of particle-based slurries rather than SO2 for climate engineering can reduce the pipe size significantly, the pumping pressures are close to the maximum bursting pressure of the pipe. PMID:26543573

  7. Isothermal pumping analysis for high-altitude tethered balloons.

    PubMed

    Kuo, Kirsty A; Hunt, Hugh E M

    2015-06-01

    High-altitude tethered balloons have potential applications in communications, surveillance, meteorological observations and climate engineering. To maintain balloon buoyancy, power fuel cells and perturb atmospheric conditions, fluids could be pumped from ground level to altitude using the tether as a hose. This paper examines the pumping requirements of such a delivery system. Cases considered include delivery of hydrogen, sulfur dioxide (SO2) and powders as fluid-based slurries. Isothermal analysis is used to determine the variation of pressures and velocities along the pipe length. Results show that transport of small quantities of hydrogen to power fuel cells and maintain balloon buoyancy can be achieved at pressures and temperatures that are tolerable in terms of both the pipe strength and the current state of pumping technologies. To avoid solidification, transport of SO2 would require elevated temperatures that cannot be tolerated by the strength fibres in the pipe. While the use of particle-based slurries rather than SO2 for climate engineering can reduce the pipe size significantly, the pumping pressures are close to the maximum bursting pressure of the pipe.

  8. Enzyme kinetics determined by single-injection isothermal titration calorimetry.

    PubMed

    Transtrum, Mark K; Hansen, Lee D; Quinn, Colette

    2015-04-01

    The purposes of this paper are (a) to examine the effect of calorimeter time constant (τ) on heat rate data from a single enzyme injection into substrate in an isothermal titration calorimeter (ITC), (b) to provide information that can be used to predict the optimum experimental conditions for determining the rate constant (k2), Michaelis constant (KM), and enthalpy change of the reaction (ΔRH), and (c) to describe methods for evaluating these parameters. We find that KM, k2 and ΔRH can be accurately estimated without correcting for the calorimeter time constant, τ, if (k2E/KM), where E is the total active enzyme concentration, is between 0.1/τ and 1/τ and the reaction goes to at least 99% completion. If experimental conditions are outside this domain and no correction is made for τ, errors in the inferred parameters quickly become unreasonable. A method for fitting single-injection data to the Michaelis-Menten or Briggs-Haldane model to simultaneously evaluate KM, k2, ΔRH, and τ is described and validated with experimental data. All four of these parameters can be accurately inferred provided the reaction time constant (k2E/KM) is larger than 1/τ and the data include enzyme saturated conditions.

  9. Direct simulation of isothermal-wall supersonic channel flow

    NASA Technical Reports Server (NTRS)

    Coleman, Gary N.

    1993-01-01

    The motivation for this work is the fact that in turbulent flows where compressibility effects are important, they are often poorly understood. A few examples of such flows are those associated with astrophysical phenomena and those found in combustion chambers, supersonic diffusers and nozzles, and over high-speed airfoils. For this project, we are primarily interested in compressibility effects near solid surfaces. Our main objective is an improved understanding of the fundamentals of compressible wall-bounded turbulence, which can in turn be used to cast light upon modeling concepts such as the Morkovin hypothesis and the Van Driest transformation. To this end, we have performed a direct numerical simulation (DNS) study of supersonic turbulent flow in a plane channel with constant-temperature walls. All of the relevant spatial and temporal scales are resolved so that no sub grid scale or turbulence model is necessary. The channel geometry was chosen so that finite Mach number effects can be isolated by comparing the present results to well established incompressible channel data. Here the fluid is assumed to be an ideal gas with constant specific heats, constant Prandtl number, and power-law temperature-dependent viscosity. Isothermal-wall boundary conditions are imposed so that a statistically stationary state may be obtained. The flow is driven by a uniform (in space) body force (rather than a mean pressure gradient) to preserve stream wise homogeneity, with the body force defined so that the total mass flux is constant.

  10. The Evolution of Dendrite Morphology during Isothermal Coarsening

    NASA Technical Reports Server (NTRS)

    Alkemper, Jens; Mendoza, Roberto; Kammer, Dimitris; Voorhees, Peter W.

    2003-01-01

    Dendrite coarsening is a common phenomenon in casting processes. From the time dendrites are formed until the inter-dendritic liquid is completely solidified dendrites are changing shape driven by variations in interfacial curvature along the dendrite and resulting in a reduction of total interfacial area. During this process the typical length-scale of the dendrite can change by orders of magnitude and the final microstructure is in large part determined by the coarsening parameters. Dendrite coarsening is thus crucial in setting the materials parameters of ingots and of great commercial interest. This coarsening process is being studied in the Pb-Sn system with Sn-dendrites undergoing isothermal coarsening in a Pb-Sn liquid. Results are presented for samples of approximately 60% dendritic phase, which have been coarsened for different lengths of times. Presented are three-dimensional microstructures obtained by serial-sectioning and an analysis of these microstructures with regard to interface orientation and interfacial curvatures. These graphs reflect the evolution of not only the microstructure itself, but also of the underlying driving forces of the coarsening process. As a visualization of the link between the microstructure and the driving forces a three-dimensional microstructure with the interfaces colored according to the local interfacial mean curvature is shown.

  11. Moisture Adsorption Isotherms and Thermodynamic Characteristics of Tannic Acid

    NASA Astrophysics Data System (ADS)

    Červenka, L.; Cacková, L.

    2016-09-01

    Moisture adsorption isotherms of tannic acid were determined at 5, 15, and 35°C with the use of the static gravimetric method in the range 0.113-0.980 aw (aw is the water activity). It was shown that tannic acid adsorbed more water at 5°C. The experimental data fitted well to the Guggenheim-Anderson-de Boer and Yanniotis-Blahovec equations, giving the corresponding parameters by nonlinear regression. The monolayer moisture content, number of monolayers, and the surface area of sorption were demonstrated to decrease with increasing temperature. Mesopores dominated below the monolayer moisture content followed by the formation of macropores. The variation of the differential enthalpy and entropy with the moisture content showed that water was strongly bound to the surface of tannic acid below the moisture content 5.0 g water/100 g dry basis. The adsorption process was found to be enthalpy-driven; however, it was not spontaneous at a low moisture content, as follows from the enthalpy-entropy compensation theory. The variation of the net integral enthalpy and entropy (at a constant spreading pressure) with the moisture content exhibited maximum and minimum values, respectively. This behavior indicated that water molecules were strongly bound to the tannic acid surface at the moisture content up to its monolayer values.

  12. A New Approach in Regression Analysis for Modeling Adsorption Isotherms

    PubMed Central

    Onjia, Antonije E.

    2014-01-01

    Numerous regression approaches to isotherm parameters estimation appear in the literature. The real insight into the proper modeling pattern can be achieved only by testing methods on a very big number of cases. Experimentally, it cannot be done in a reasonable time, so the Monte Carlo simulation method was applied. The objective of this paper is to introduce and compare numerical approaches that involve different levels of knowledge about the noise structure of the analytical method used for initial and equilibrium concentration determination. Six levels of homoscedastic noise and five types of heteroscedastic noise precision models were considered. Performance of the methods was statistically evaluated based on median percentage error and mean absolute relative error in parameter estimates. The present study showed a clear distinction between two cases. When equilibrium experiments are performed only once, for the homoscedastic case, the winning error function is ordinary least squares, while for the case of heteroscedastic noise the use of orthogonal distance regression or Margart's percent standard deviation is suggested. It was found that in case when experiments are repeated three times the simple method of weighted least squares performed as well as more complicated orthogonal distance regression method. PMID:24672394

  13. Comparative study of denaturation of whey protein isolate (WPI) in convective air drying and isothermal heat treatment processes.

    PubMed

    Haque, M Amdadul; Aldred, Peter; Chen, Jie; Barrow, Colin J; Adhikari, Benu

    2013-11-15

    The extent and nature of denaturation of whey protein isolate (WPI) in convective air drying environments was measured and analysed using single droplet drying. A custom-built, single droplet drying instrument was used for this purpose. Single droplets having 5±0.1μl volume (initial droplet diameter 1.5±0.1mm) containing 10% (w/v) WPI were dried at air temperatures of 45, 65 and 80°C for 600s at constant air velocity of 0.5m/s. The extent and nature of denaturation of WPI in isothermal heat treatment processes was measured at 65 and 80°C for 600s and compared with those obtained from convective air drying. The extent of denaturation of WPI in a high hydrostatic pressure environment (600MPa for 600s) was also determined. The results showed that at the end of 600s of convective drying at 65°C the denaturation of WPI was 68.3%, while it was only 10.8% during isothermal heat treatment at the same medium temperature. When the medium temperature was maintained at 80°C, the denaturation loss of WPI was 90.0% and 68.7% during isothermal heat treatment and convective drying, respectively. The bovine serum albumin (BSA) fraction of WPI was found to be more stable in the convective drying conditions than β-lactoglobulin and α-lactalbumin, especially at longer drying times. The extent of denaturation of WPI in convective air drying (65 and 80°C) and isotheral heat treatment (80°C) for 600s was found to be higher than its denaturation in a high hydrostatic pressure environment at ambient temperature (600MPa for 600s).

  14. Effect of Grain Size on Uranium(VI) Surface Complexation Kinetics and Adsorption Additivity

    SciTech Connect

    Shang, Jianying; Liu, Chongxuan; Wang, Zheming; Zachara, John M.

    2011-07-27

    Laboratory experiments were performed to investigate the contribution of variable grain sizes to uranium adsorption/desorption in a sediment collected from the US DOE Hanford site. The sediment was wet-sieved into four size fractions: coarse sand (1-2 mm), medium sand (0.2-1 mm), fine sand (0.05-0.2 mm), and clay/silt fraction (< 0.05mm). For each size fraction and their composite (sediment), batch experiments were performed to determine uranium adsorption isotherms, and stirred flow-cell experiments were conducted to derive kinetic data of uranium adsorption and subsequent desorption. The results showed that uranium adsorption isotherms and adsorption/desorption kinetics were size-specific, reflecting the effects of size-specific adsorption site concentration and kinetic rate constants. The larger-size fraction had a larger mass percentage in the sediment, but with a smaller adsorption site concentration and generally a slower uranium adsorption/desorption rate. The same equilibrium surface complexation reaction and reaction constant could describe uranium adsorption isotherms for all size fractions and the composite after accounting for the effect of adsorption site concentration. Mass-weighted, linear additivity was observed for both uranium adsorption isotherms and adsorption/desorption kinetics in the composite. Our analysis also showed that uranium adsorption site concentration estimated from the adsorption isotherms was 3 orders of magnitude less than a site concentration estimated from sediment surface area and generic site density. One important implication of this study is that grain size distribution may be used to estimate uranium adsorption site, and adsorption/desorption kinetic rates in heterogeneous sediments from a common location.

  15. Biosynthesis of ZnO nanoparticles using rambutan (Nephelium lappaceumL.) peel extract and their photocatalytic activity on methyl orange dye

    NASA Astrophysics Data System (ADS)

    Karnan, Thenmozhi; Selvakumar, Stanly Arul Samuel

    2016-12-01

    In the present study, describes the synthesis of ZnO nanoparticles from rambutan (Nephelium lappaceumL.) peel extract via bio synthesis method and developed a new low cost technology to prepare ZnO nanoparticles. During the synthesis, fruit peel extract act as a natural ligation agent. The successfully prepared product was analyzed with some standard characterization studies like X-Ray Diffraction (XRD), UV-VIS Diffuse reflectance spectra (UV-Vis DRS), Field Emission Scanning Electron Microscope (FESEM), High resolution transmittance electron microscope (HR-TEM), N2 adsorption-desorption isotherm and UV-Vis absorption Spectroscopy. The photocatalytic activity of ZnO nanoparticles was evaluated by photodegradation of methyl orange (MO) dye under UV light and the result depicts around 83.99% decolorisation efficiency at 120 min of illumination. In addition with photodecolorisation, mineralization was also achieved. The mineralization has been confirmed by measuring Chemical Oxygen Demand (COD) values.

  16. Mixed oxide semiconductor CuInAlO4 nanoparticles: synthesis, structure and photocatalytic properties

    NASA Astrophysics Data System (ADS)

    Xu, Jian; Qin, Chuanxiang; Bi, Shala; Wan, Yingpeng; Huang, Yanlin; Wang, Yaorong; Seo, Hyo Jin

    2017-01-01

    CuInAlO4 nanoparticles were synthesized via the facile sol-gel route. The phase formations were investigated by x-ray powder diffraction and structure refinements. The morphological characteristic of the nano-oxides was tested with scanning electron microscopy, transmission electron microscopy, energy-dispersive spectra, N2-adsorption-desorption isotherms and the x-ray photoelectron spectrum. The optical absorption, band energy and structures of the nanoparticles were measured. CuInAlO4 has wide optical absorption from UV to visible wavelength. The nano-oxides have a narrow band energy of 2.191 eV. The photocatalysis ability of CuInAlO4 nanoparticles was confirmed by its efficient photodegradation on methylene blue (MB) dye under the excitation of the visible wavelengths: CuInAlO4 demonstrates efficient photocatalysis on MB photodegradation.

  17. Preparation and characterization of LaMnO3 and LaNiO3 perovskite type oxides by the hydrothermal synthesis method

    NASA Astrophysics Data System (ADS)

    Özbay, N.; Şahin, R. Z. Yarbay

    2017-02-01

    Perovskites which both naturally occurring and synthetically produced with important technological applications are a large class of minerals. Physical properties of interest to materials science through perovskites include superconductivity, magnetoresistance, ionic conductivity, and a multitude of dielectric properties, which are of great importance in microelectronics and telecommunication. Recently interest has arisen in perovskite-type oxides as catalysts due to high thermal and hydrothermal stability as well as high mechanical strength among other properties. In the present work, LaMnO3 and LaNiO3 perovskite type oxide catalysts are developed for the purpose of pyrolysis of biomass, and they are studied in terms of structure. The crystal structures of catalysts were determined via X-Ray Diffraction (XRD), morphology of the samples were analyzed by Scanning Electron Microscope (SEM), and the specific surface area of the samples were determined by N2 adsorption desorption isotherms (BET) measurements.

  18. Analyzing the kinetic response of tin oxide-carbon and tin oxide-CNT composites gas sensors for alcohols detection

    SciTech Connect

    Kamble, Vinayak Umarji, Arun

    2015-03-15

    Tin oxide nanoparticles are synthesized using solution combustion technique and tin oxide – carbon composite thick films are fabricated with amorphous carbon as well as carbon nanotubes (CNTs). The x-ray diffraction, Raman spectroscopy and porosity measurements show that the as-synthesized nanoparticles are having rutile phase with average crystallite size ∼7 nm and ∼95 m{sup 2}/g surface area. The difference between morphologies of the carbon doped and CNT doped SnO{sub 2} thick films, are characterized using scanning electron microscopy and transmission electron microscopy. The adsorption-desorption kinetics and transient response curves are analyzed using Langmuir isotherm curve fittings and modeled using power law of semiconductor gas sensors.

  19. A highly sensitive ethanol sensor based on mesoporous ZnO-SnO2 nanofibers.

    PubMed

    Song, Xiaofeng; Wang, Zhaojie; Liu, Yongben; Wang, Ce; Li, Lijuan

    2009-02-18

    A facile and versatile method for the large-scale synthesis of sensitive mesoporous ZnO-SnO(2) (m-Z-S) nanofibers through a combination of surfactant-directed assembly and an electrospinning approach is reported. The morphology and the structure were investigated by scanning electron microscopy (SEM), transmission electron microscopy (TEM), x-ray diffraction (XRD), and nitrogen adsorption-desorption isotherm analysis. The results showed that the diameters of fibers ranged from 100 to 150 nm with mixed structures of wurtzite (ZnO) and rutile (SnO(2)), and a mesoporous structure was observed in the m-Z-S nanofibers. The sensor performance of the prepared m-Z-S nanofibers was measured for ethanol. It is found that the mesoporous fiber film obtained exhibited excellent ethanol sensing properties, such as high sensitivity, quick response and recovery, good reproducibility, and linearity in the range 3-500 ppm.

  20. A highly sensitive ethanol sensor based on mesoporous ZnO-SnO2 nanofibers

    NASA Astrophysics Data System (ADS)

    Song, Xiaofeng; Wang, Zhaojie; Liu, Yongben; Wang, Ce; Li, Lijuan

    2009-02-01

    A facile and versatile method for the large-scale synthesis of sensitive mesoporous ZnO-SnO2 (m-Z-S) nanofibers through a combination of surfactant-directed assembly and an electrospinning approach is reported. The morphology and the structure were investigated by scanning electron microscopy (SEM), transmission electron microscopy (TEM), x-ray diffraction (XRD), and nitrogen adsorption-desorption isotherm analysis. The results showed that the diameters of fibers ranged from 100 to 150 nm with mixed structures of wurtzite (ZnO) and rutile (SnO2), and a mesoporous structure was observed in the m-Z-S nanofibers. The sensor performance of the prepared m-Z-S nanofibers was measured for ethanol. It is found that the mesoporous fiber film obtained exhibited excellent ethanol sensing properties, such as high sensitivity, quick response and recovery, good reproducibility, and linearity in the range 3-500 ppm.

  1. Influence of difference quantity La-doped TiO2 photoanodes on the performance of dye-sensitized solar cells: A strategy for choosing an appropriate doping quantity

    NASA Astrophysics Data System (ADS)

    Zhang, Zige; Li, Guoxiang; Cui, Zijian; Zhang, Kaiyue; Feng, Yaqing; Meng, Shuxian

    2016-05-01

    Facilitated by TiO2 particles adsorbing lanthanide ions in hydrosol, La-doped TiO2 was produced by a hydrothermal method. The structure, optical and photoluminescence properties of down-converting photoelectrode with the La3+ were characterized by X-ray (XRD), Scanning electron microscopy (SEM), Energy dispersive X-ray detector (EDX) and N2 adsorption-desorption isotherms measurement. The photoelectric conversion efficiency of dye-sensitized solar cells (DSSCs) fabricated with 0.05 g-La/TiO2 reached 7.02%, which gave an efficiency improved by 10.36% compared with that of cells fabricated from pure TiO2. The improvement in efficiency was ascribed to more dyes adsorbed on the surface of TiO2.

  2. Simulations of isothermal processes in the semilocalized transition (SLT) model of thermoluminescence (TL)

    NASA Astrophysics Data System (ADS)

    Pagonis, Vasilis; Kulp, Christopher

    2010-05-01

    Semilocalized transition (SLT) kinetic models for thermoluminescence (TL) contain characteristics of both a localized transition (LT) and of a single trap model. TL glow curves within SLT models typically contain contain two TL peaks; the first peak corresponds to the intra-pair luminescence due to LTs and the second TL peak corresponds to delocalized transitions involving the conduction band (CB). The latter delocalized TL peak has also been found to exhibit non-typical double-peak structure, in which the main TL peak is accompanied by a smaller peak called the displacement peak. This paper describes the simulation of isothermal luminescence signals using a previously published SLT model. It is found that these simulated isothermal signals exhibit several unusual time characteristics. Isothermal signals associated with the LTs follow first order kinetics and are therefore described by single decaying exponentials. However, isothermal signals associated with delocalized transitions show a non-typical complex structure characterized by several time regions with different decay characteristics. For certain values of the parameters in the SLT model the isothermal signals can also exhibit non-monotonic behaviour as a function of time. Another notable result from the simulations is that isothermal currents (which are proportional to the concentration of electrons in the CB) can persist for very long periods of time, even after the apparent termination of the isothermal luminescence signals. It is concluded that isothermal processes described by the SLT model depend strongly on the presence of SLTs, in contrast to previous studies using Monte Carlo simulations, which showed a weak interdependence of these phenomena. The simulations in this paper suggest that isothermal experiments offer a sensitive method for detecting the presence of SLTs in a dosimetric material.

  3. Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 92 to 100 GPa [Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 90 to 100 GPa (1 megabar)

    DOE PAGES

    Young, David A.; Cynn, Hyunchae; Soderlind, Per; ...

    2016-10-24

    Most of the chemical elements have now been compressed close to or above 100 GPa (1 Mbar) pressure in diamond-anvil cells and the pressure–volume room-temperature isotherms have been measured. We collect these data and use simple lattice-dynamics models to reduce the isotherms to 0 K. We have extended the published work by making new diamond-anvil-cell measurements on Cr and Rh, and by conducting density-functional calculations on the elements Po, At, Rn, Fr, Ra, and Ac. The 0 K data are tabulated for all elements 1 ≤ Z ≤ 92 and 0 ≤ P ≤ 100 GPa. These data are usefulmore » for generating wide-range equation of state models and for studying the stability of chemical compounds at high pressure (“Megabar chemistry”). As a result, the tables presented here are intended to be reference thermodynamic tables for use in high-pressure research. Further experimental and theoretical work will be needed to extend the tables to higher pressure and to improve accuracy.« less

  4. Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 92 to 100 GPa [Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 90 to 100 GPa (1 megabar)

    SciTech Connect

    Young, David A.; Cynn, Hyunchae; Soderlind, Per; Landa, Alexander

    2016-10-24

    Most of the chemical elements have now been compressed close to or above 100 GPa (1 Mbar) pressure in diamond-anvil cells and the pressure–volume room-temperature isotherms have been measured. We collect these data and use simple lattice-dynamics models to reduce the isotherms to 0 K. We have extended the published work by making new diamond-anvil-cell measurements on Cr and Rh, and by conducting density-functional calculations on the elements Po, At, Rn, Fr, Ra, and Ac. The 0 K data are tabulated for all elements 1 ≤ Z ≤ 92 and 0 ≤ P ≤ 100 GPa. These data are useful for generating wide-range equation of state models and for studying the stability of chemical compounds at high pressure (“Megabar chemistry”). As a result, the tables presented here are intended to be reference thermodynamic tables for use in high-pressure research. Further experimental and theoretical work will be needed to extend the tables to higher pressure and to improve accuracy.

  5. Prediction of the competitive adsorption isotherms of 2-phenylethanol and 3-phenylpropanol by artificial neural networks.

    PubMed

    Wu, Xiuhong; Wang, Shaoyan; Zhang, Renzhuang; Gao, Zhiming

    2014-03-07

    Artificial neural networks (ANNs) were regarded as data-mapping networks with strong nonlinear fitting abilities. A 2-6-2 network was used to determine the competitive adsorption isotherm of 2-phenylethanol (PE) and 3-phenylpropanol (PP). The ANN results were forms of data mapping rather than theoretical mathematical model. The ANN architecture was established after training with a set of experimental data. The established ANN was applied to predict the adsorption isotherms of PE and PP. The selection of parameters for the ANN was discussed. The results indicate that ANN has excellent potential for use in non-linear chromatography for the prediction of adsorption isotherms.

  6. The principle of the minimum of the dissipation potential for non-isothermal processes

    NASA Astrophysics Data System (ADS)

    Junker, Philipp; Makowski, Jerzy; Hackl, Klaus

    2014-05-01

    In this paper, we contribute to the methodology of material modeling by presenting a potential-based approach for non-isothermal inelastic processes. It is based on the principle of the minimum of the dissipation potential which was used previously only in the isothermal context. In contrast to the principle of maximum dissipation, the presented procedure results in mathematically simplified equations. Due to its variational character, the inclusion of constraints is very simple. After derivation of our method, we use the examples of non-isothermal perfect plasticity and shape memory alloys for demonstration of the validity and performance of the concept.

  7. Isotherms of the sorption of water vapor by swelling hydrophilic sorbents

    NASA Astrophysics Data System (ADS)

    Gamayunov, N. I.; Tvardovskii, A. V.

    1990-11-01

    On the basis of an equation proposed previously, a method for calculating the isotherms of water-vapor sorption by swelling hydrophilic sorbents is outlined. The construction of the isotherms entails some information on the physicochemical characteristics of the system — for example, the binding energy of the sorbate molecule with the active center, the degree of hydration of the sorbent, the temperature, the sorptional centers and their mutual position, etc. As an example, the calculation of the isotherms of water-vapor sorption by cotton is considered.

  8. Anisotropy evolution of nanoparticles under annealing: Benefits of isothermal remanent magnetization simulation

    NASA Astrophysics Data System (ADS)

    Tournus, Florent; Tamion, Alexandre; Hillion, Arnaud; Dupuis, Véronique

    2016-12-01

    Isothermal remanent magnetization (IRM) combined with Direct current demagnetization (DcD) are powerful tools to qualitatively study the interactions (through the Δm parameter) between magnetic particles in a granular media. For magnetic nanoparticles diluted in a matrix, it is possible to reach a regime where Δm is equal to zero, i.e. where interparticle interactions are negligible: one can then infer the intrinsic properties of nanoparticles through measurements on an assembly, which are analyzed by a combined fit procedure (based on the Stoner-Wohlfarth and Néel models). Here we illustrate the benefits of a quantitative analysis of IRM curves, for Co nanoparticles embedded in amorphous carbon (before and after annealing): while a large anisotropy increase may have been deduced from the other measurements, IRM curves provide an improved characterization of the nanomagnets intrinsic properties, revealing that it is in fact not the case. This shows that IRM curves, which only probe the irreversible switching of nanomagnets, are complementary to widely used low field susceptibility curves.

  9. Binding of copper to lysozyme: Spectroscopic, isothermal titration calorimetry and molecular docking studies

    NASA Astrophysics Data System (ADS)

    Jing, Mingyang; Song, Wei; Liu, Rutao

    2016-07-01

    Although copper is essential to all living organisms, its potential toxicity to human health have aroused wide concerns. Previous studies have reported copper could alter physical properties of lysozyme. The direct binding of copper with lysozyme might induce the conformational and functional changes of lysozyme and then influence the body's resistance to bacterial attack. To better understand the potential toxicity and toxic mechanisms of copper, the interaction of copper with lysozyme was investigated by biophysical methods including multi-spectroscopic measurements, isothermal titration calorimetry (ITC), molecular docking study and enzyme activity assay. Multi-spectroscopic measurements proved that copper quenched the intrinsic fluorescence of lysozyme in a static process accompanied by complex formation and conformational changes. The ITC results indicated that the binding interaction was a spontaneous process with approximately three thermodynamical binding sites at 298 K and the hydrophobic force is the predominant driven force. The enzyme activity was obviously inhibited by the addition of copper with catalytic residues Glu 35 and Asp 52 locating at the binding sites. This study helps to elucidate the molecular mechanism of the interaction between copper and lysozyme and provides reference for toxicological studies of copper.

  10. Vascular Endothelial Growth Factor Peptide Ligands Explored by Competition Assay and Isothermal Titration Calorimetry.

    PubMed

    Reille-Seroussi, Marie; Gaucher, Jean-François; Desole, Claudia; Gagey-Eilstein, Nathalie; Brachet, Franck; Broutin, Isabelle; Vidal, Michel; Broussy, Sylvain

    2015-08-25

    The v114* cyclic peptide has been identified as a tight vascular endothelial growth factor (VEGF) ligand. Here we report on the use of isothermal titration calorimetry (ITC), 96-well plate competition assay, and circular dichroism (CD) to explore the binding determinants of a new set of related peptides. Anti-VEGF antibodies are currently used in the clinic for regulating angiogenesis in cancer and age-related macular degeneration treatment. In this context, our aim is to develop smaller molecular entities with high affinity for the growth factor by a structure activity relationship approach. The cyclic disulfide peptide v114* was modified in several ways, including truncation, substitution, and variation of the size and nature of the cycle. The results indicated that truncation or substitution of the four N-terminal amino acids did not cause severe loss in affinity, allowing potential peptide labeling. Increase of the cycle size or substitution of the disulfide bridge with a thioether linkage drastically decreased the affinity, due to an enthalpy penalty. The leucine C-terminal residue positively contributed to affinity. Cysteine N-terminal acetylation induced favorable ΔΔG° and ΔΔH° of binding, which correlated with free peptide CD spectra changes. We also propose a biochemical model to extrapolate Ki from IC50 values measured in the displacement assay. These calculated Ki correlate well with the Kd values determined by extensive direct and reverse ITC measurements.

  11. Formation of Prestellar Cores via Non-Isothermal Gas Fragmentation

    NASA Astrophysics Data System (ADS)

    Anathpindika, S.

    2015-02-01

    Sheet-like clouds are common in turbulent gas and perhaps form via collisions between turbulent gas flows. Having examined the evolution of an isothermal shocked slab in an earlier contribution, in this work we follow the evolution of a sheet-like cloud confined by (thermal) pressure and gas in it is allowed to cool. The extant purpose of this endeavour is to study the early phases of core-formation. The observed evolution of this cloud supports the conjecture that molecular clouds themselves are three-phase media (comprising viz. a stable cold and warm medium, and a third thermally unstable medium), though it appears, clouds may evolve in this manner irrespective of whether they are gravitationally bound. We report, this sheet fragments initially due to the growth of the thermal instability (TI) and some fragments are elongated, filament-like. Subsequently, relatively large fragments become gravitationally unstable and sub-fragment into smaller cores. The formation of cores appears to be a three stage process: first, growth of the TI leads to rapid fragmentation of the slab; second, relatively small fragments acquire mass via gas-accretion and/or merger and third, sufficiently massive fragments become susceptible to the gravitational instability and sub-fragment to form smaller cores. We investigate typical properties of clumps (and smaller cores) resulting from this fragmentation process. Findings of this work support the suggestion that the weak velocity field usually observed in dense clumps and smaller cores is likely seeded by the growth of dynamic instabilities. Simulations were performed using the smooth particle hydrodynamics algorithm.

  12. Integrated Microfluidic Nucleic Acid Isolation, Isothermal Amplification, and Amplicon Quantification.

    PubMed

    Mauk, Michael G; Liu, Changchun; Song, Jinzhao; Bau, Haim H

    2015-10-20

    Microfluidic components and systems for rapid (<60 min), low-cost, convenient, field-deployable sequence-specific nucleic acid-based amplification tests (NAATs) are described. A microfluidic point-of-care (POC) diagnostics test to quantify HIV viral load from blood samples serves as a representative and instructive example to discuss the technical issues and capabilities of "lab on a chip" NAAT devices. A portable, miniaturized POC NAAT with performance comparable to conventional PCR (polymerase-chain reaction)-based tests in clinical laboratories can be realized with a disposable, palm-sized, plastic microfluidic chip in which: (1) nucleic acids (NAs) are extracted from relatively large (~mL) volume sample lysates using an embedded porous silica glass fiber or cellulose binding phase ("membrane") to capture sample NAs in a flow-through, filtration mode; (2) NAs captured on the membrane are isothermally (~65 °C) amplified; (3) amplicon production is monitored by real-time fluorescence detection, such as with a smartphone CCD camera serving as a low-cost detector; and (4) paraffin-encapsulated, lyophilized reagents for temperature-activated release are pre-stored in the chip. Limits of Detection (LOD) better than 10³ virons/sample can be achieved. A modified chip with conduits hosting a diffusion-mode amplification process provides a simple visual indicator to readily quantify sample NA template. In addition, a companion microfluidic device for extracting plasma from whole blood without a centrifuge, generating cell-free plasma for chip-based molecular diagnostics, is described. Extensions to a myriad of related applications including, for example, food testing, cancer screening, and insect genotyping are briefly surveyed.

  13. Integrated Microfluidic Nucleic Acid Isolation, Isothermal Amplification, and Amplicon Quantification

    PubMed Central

    Mauk, Michael G.; Liu, Changchun; Song, Jinzhao; Bau, Haim H.

    2015-01-01

    Microfluidic components and systems for rapid (<60 min), low-cost, convenient, field-deployable sequence-specific nucleic acid-based amplification tests (NAATs) are described. A microfluidic point-of-care (POC) diagnostics test to quantify HIV viral load from blood samples serves as a representative and instructive example to discuss the technical issues and capabilities of “lab on a chip” NAAT devices. A portable, miniaturized POC NAAT with performance comparable to conventional PCR (polymerase-chain reaction)-based tests in clinical laboratories can be realized with a disposable, palm-sized, plastic microfluidic chip in which: (1) nucleic acids (NAs) are extracted from relatively large (~mL) volume sample lysates using an embedded porous silica glass fiber or cellulose binding phase (“membrane”) to capture sample NAs in a flow-through, filtration mode; (2) NAs captured on the membrane are isothermally (~65 °C) amplified; (3) amplicon production is monitored by real-time fluorescence detection, such as with a smartphone CCD camera serving as a low-cost detector; and (4) paraffin-encapsulated, lyophilized reagents for temperature-activated release are pre-stored in the chip. Limits of Detection (LOD) better than 103 virons/sample can be achieved. A modified chip with conduits hosting a diffusion-mode amplification process provides a simple visual indicator to readily quantify sample NA template. In addition, a companion microfluidic device for extracting plasma from whole blood without a centrifuge, generating cell-free plasma for chip-based molecular diagnostics, is described. Extensions to a myriad of related applications including, for example, food testing, cancer screening, and insect genotyping are briefly surveyed. PMID:27600235

  14. Reynolds number and geometry effects in laminar axisymmetric isothermal counterflows

    NASA Astrophysics Data System (ADS)

    Scribano, Gianfranco; Bisetti, Fabrizio

    2016-12-01

    The counterflow configuration is a canonical stagnation flow, featuring two opposed impinging round jets and a mixing layer across the stagnation plane. Although counterflows are used extensively in the study of reactive mixtures and other applications where mixing of two streams is required, quantitative data on the scaling properties of the flow field are lacking. The aim of this work is to characterize the velocity and mixing fields in isothermal counterflows over a wide range of conditions. The study features both experimental data from particle image velocimetry and results from detailed axisymmetric simulations. The scaling laws for the nondimensional velocity and mixture fraction are obtained as a function of an appropriate Reynolds number and the ratio of the separation distance of the nozzles to their diameter. In the range of flow configurations investigated, the nondimensional fields are found to depend primarily on the separation ratio and, to a lesser extent, the Reynolds number. The marked dependence of the velocity field with respect to the separation ratio is linked to a high pressure region at the stagnation point. On the other hand, Reynolds number effects highlight the role played by the wall boundary layer on the interior of the nozzles, which becomes less important as the separation ratio decreases. The normalized strain rate and scalar dissipation rate at the stagnation plane are found to attain limiting values only for high values of the Reynolds number. These asymptotic values depend markedly on the separation ratio and differ significantly from the values produced by analytical models. The scaling of the mixing field does not show a limiting behavior as the separation ratio decreases to the smallest practical value considered.

  15. Removal of dissolved organic carbon by aquifer material: Correlations between column parameters, sorption isotherms and octanol-water partition coefficient.

    PubMed

    Pradhan, Snigdhendubala; Boernick, Hilmar; Kumar, Pradeep; Mehrotra, Indu

    2016-07-15

    The correlation between octanol-water partition coefficient (KOW) and the transport of aqueous samples containing single organic compound is well documented. The concept of the KOW of river water containing the mixture of organics was evolved by Pradhan et al. (2015). The present study aims at determining the KOW and sorption parameters of synthetic aqueous samples and river water to finding out the correlation, if any. The laboratory scale columns packed with aquifer materials were fed with synthetic and river water samples. Under the operating conditions, the compounds in the samples did not separate, and all the samples that contain more than one organic compound yielded a single breakthrough curve. Breakthrough curves simulated from sorption isotherms were compared with those from the column runs. The sorption parameters such as retardation factor (Rf), height of mass transfer zone (HMTZ), rate of mass transfer zone (RMTZ), breakpoint column capacity (qb) and maximum column capacity (qx) estimated from column runs, sorption isotherms and models developed by Yoon-Nelson, Bohart-Adam and Thomas were in agreement. The empirical correlations were found between the KOW and sorption parameters. The transport of the organics measured as dissolved organic carbon (DOC) through the aquifer can be predicted from the KOW of the river water and other water samples. The novelty of the study is to measure KOW and to envisage the fate of the DOC of the river water, particularly during riverbank filtration. Statistical analysis of the results revealed a fair agreement between the observed and computed values.

  16. Adsorption isotherms of some alkyl aromatic hydrocarbons and surface energies on partially dealuminated Y faujasite zeolite by inverse gas chromatography.

    PubMed

    Kondor, Anett; Dallos, András

    2014-10-03

    Adsorption isotherm data of some alkyl aromatic hydrocarbons (benzene, toluene, ethylbenzene, o-xylene, m-xylene and p-xylene) measured in the temperature range of 423-523K on a partially dealuminated faujasite type DAY F20 zeolite by inverse gas chromatography are presented in this work. The temperature dependent form of Tóth's equation has been fitted to the multiple temperature adsorption isotherms of benzene, toluene, ethylbenzene, o-xylene, m-xylene and p-xylene with standard deviations of 4.6, 5.0, 5.9, 4.3, 5.1 and 6.3mmolkg(-1) and coefficients of determinations (r(2)) of 0.977, 0.971, 0.974, 0.975, 0.991 and 0.991, respectively. The gas-solid equilibria and modeling were interpreted on the basis of the interfacial properties of the zeolite, by dispersive, specific and total surface energy heterogeneity profiles and distributions of the adsorbent measured by surface energy analysis.

  17. Isotherms and Kinetics of Water Vapor Sorption/Desorption for Surface Films of Polyion-Surfactant Ion Complex Salts.

    PubMed

    Gustavsson, Charlotte; Piculell, Lennart

    2016-07-14

    Thin films of "complex salts" (CS = ionic surfactants with polymeric counterions) have recently been shown to respond to humidity changes in ambient air by changing their liquid crystalline structure. We here report isotherms and kinetics of water sorption/desorption for ∼10-100 μm films of alkyltrimethylammonium polyacrylate CS, measured in a dynamic gravimetric vapor sorption instrument over a 0-95% relative humidity (RH) range. The sorption per ion pair was similar to that observed for common ionomers. A kinetic model for the water exchange is presented, assuming that the "external" transport between the vapor reservoir and the film surface is rate-determining. The model predicts that the water content, after a small stepwise change of the reservoir RH, should vary exponentially with time, with a time constant proportional to both the slope of the sorption isotherm and the film thickness. These predictions were confirmed for our films over large RH ranges, and the external mass transfer coefficient in our setup was calculated from the experimental data. Expressions derived for the Biot number (ratio of characteristic times for internal and external water transport) for the considered limiting case strongly indicate that external water transport should quite generally affect, or even dominate, the measured kinetics for similarly thin hydrated films.

  18. Freundlich and Langmuir adsorption isotherms and kinetics for the removal of Tartrazine from aqueous solutions using hen feathers.

    PubMed

    Mittal, Alok; Kurup, Lisha; Mittal, Jyoti

    2007-07-19

    Tartrazine, a yellow menace, is widely being used in cosmetics, foodstuffs, medicines and textile. It is carcinogenic and also catalyzes allergic problems. In the present work the ability to remove Tartrazine from aqueous solutions has been studied using waste material-hen feathers, as adsorbent. Effects of pH, concentration of the dye, temperature and adsorbent dosage have been studied. Equilibrium isotherms for the adsorption of the dye were measured experimentally. Results were analyzed by the Freundlich and Langmuir equation at different temperatures and determined the characteristic parameters for each adsorption isotherm. The adsorption process has been found endothermic in nature and thermodynamic parameters, Gibb's free energy (DeltaG degrees), change in enthalpy (DeltaH degrees) and change in entropy (DeltaS degrees) have been calculated. The paper also includes results on the kinetic measurements of adsorption of the dye on hen feathers at different temperatures. By rate expression and treatment of data it has been established that the adsorption of Tartrazine over hen feathers follows a first-order kinetics and a film diffusion mechanism operates at all the temperatures.

  19. Zero-Kelvin Compression Isotherms of the Elements 1 ≤ Z ≤ 92 to 100 GPa

    SciTech Connect

    Young, David A.; Cynn, Hyunchae; Söderlind, Per; Landa, Alexander

    2016-12-01

    Most of the chemical elements have now been compressed close to or above 100 GPa (1 Mbar) pressure in diamond-anvil cells and the pressure–volume room-temperature isotherms have been measured. We collect these data and use simple lattice-dynamics models to reduce the isotherms to 0 K. We have extended the published work by making new diamond-anvil-cell measurements on Cr and Rh, and by conducting density-functional calculations on the elements Po, At, Rn, Fr, Ra, and Ac. The 0 K data are tabulated for all elements 1 ≤ Z ≤ 92 and 0 ≤ P ≤ 100 GPa. These data are useful for generating wide-range equation of state models and for studying the stability of chemical compounds at high pressure (“Megabar chemistry”). The tables presented here are intended to be reference thermodynamic tables for use in high-pressure research. Further experimental and theoretical work will be needed to extend the tables to higher pressure and to improve accuracy.

  20. Thermodynamic Study of Interactions Between ZnO and ZnO Binding Peptides Using Isothermal Titration Calorimetry.

    PubMed

    Limo, Marion J; Perry, Carole C

    2015-06-23

    While material-specific peptide binding sequences have been identified using a combination of combinatorial methods and computational modeling tools, a deep molecular level understanding of the fundamental principles through which these interactions occur and in some instances modify the morphology of inorganic materials is far from being fully realized. Understanding the thermodynamic changes that occur during peptide-inorganic interactions and correlating these to structural modifications of the inorganic materials could be the key to achieving and mastering control over material formation processes. This study is a detailed investigation applying isothermal titration calorimetry (ITC) to directly probe thermodynamic changes that occur during interaction of ZnO binding peptides (ZnO-BPs) and ZnO. The ZnO-BPs used are reported sequences G-12 (GLHVMHKVAPPR), GT-16 (GLHVMHKVAPPR-GGGC), and alanine mutants of G-12 (G-12A6, G-12A11, and G-12A12) whose interaction with ZnO during solution synthesis studies have been extensively investigated. The interactions of the ZnO-BPs with ZnO yielded biphasic isotherms comprising both an endothermic and an exothermic event. Qualitative differences were observed in the isothermal profiles of the different peptides and ZnO particles studied. Measured ΔG values were between -6 and -8.5 kcal/mol, and high adsorption affinity values indicated the occurrence of favorable ZnO-BP-ZnO interactions. ITC has great potential in its use to understand peptide-inorganic interactions, and with continued development, the knowledge gained may be instrumental for simplification of selection processes of organic molecules for the advancement of material synthesis and design.