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Sample records for batch uptake thermodynamic

  1. Role of extracellular polymeric substances in metal ion complexation on Shewanella oneidensis: Batch uptake, thermodynamic modeling, ATR-FTIR, and EXAFS study

    NASA Astrophysics Data System (ADS)

    Ha, Juyoung; Gélabert, Alexandre; Spormann, Alfred M.; Brown, Gordon E., Jr.

    2010-01-01

    The effect of cell wall-associated extracellular polymeric substances (EPS) of the Gram-negative bacterium Shewanella oneidensis strain MR-1 on proton, Zn(II), and Pb(II) adsorption was investigated using a combination of titration/batch uptake studies, surface complexation modeling, attenuated total reflectance - Fourier transform infrared (ATR-FTIR) spectroscopy, and Zn K-edge extended X-ray absorption fine structure (EXAFS) spectroscopy. Both unmodified (wild-type (WT) strain) and genetically modified cells with inhibited production of EPS (ΔEPS strain) were used. Three major types of functional groups (carboxyl, phosphoryl, and amide groups) were identified in both strains using ATR-FITR spectroscopy. Potentiometric titration data were fit using a constant capacitance model (FITEQL) that included these three functional groups. The fit results indicate less interaction of Zn(II) and Pb(II) with carboxyl and amide groups and a greater interaction with phosphoryl groups in the ΔEPS strain than in the WT strain. Results from Zn(II) and Pb(II) batch adsorption studies and surface complexation modeling, assuming carboxyl and phosphoryl functional groups, also indicate significantly lower Zn(II) and Pb(II) uptake and binding affinities for the ΔEPS strain. Results from Zn K-edge EXAFS spectroscopy show that Zn(II) bonds to phosphoryl and carboxyl ligands in both strains. Based on batch uptake and modeling results and EXAFS spectral analysis, we conclude that the greater amount of EPS in the WT strain enhances Zn(II) and Pb(II) uptake and hinders diffusion of Zn(II) to the cell walls relative to the ΔEPS strain.

  2. Exploring the controls of soil biogeochemistry in a restored coastal wetland using object-oriented computer simulations of uptake kinetics and thermodynamic optimization in batch reactors

    NASA Astrophysics Data System (ADS)

    Payn, R. A.; Helton, A. M.; Poole, G.; Izurieta, C.; Bernhardt, E. S.; Burgin, A. J.

    2012-12-01

    Many hypotheses have been proposed to predict patterns of biogeochemical redox reactions based on the availability of electron donors and acceptors and the thermodynamic theory of chemistry. Our objective was to develop a computer model that would allow us to test various alternatives of these hypotheses against data gathered from soil slurry batch reactors, experimental soil perfusion cores, and in situ soil profile observations from the restored Timberlake Wetland in coastal North Carolina, USA. Software requirements to meet this objective included the ability to rapidly develop and compare different hypothetical formulations of kinetic and thermodynamic theory, and the ability to easily change the list of potential biogeochemical reactions used in the optimization scheme. For future work, we also required an object pattern that could easily be coupled with an existing soil hydrologic model. These requirements were met using Network Exchange Objects (NEO), our recently developed object-oriented distributed modeling framework that facilitates simulations of multiple interacting currencies moving through network-based systems. An initial implementation of the object pattern was developed in NEO based on maximizing growth of the microbial community from available dissolved organic carbon. We then used this implementation to build a modeling system for comparing results across multiple simulated batch reactors with varied initial solute concentrations, varied biogeochemical parameters, or varied optimization schemes. Among heterotrophic aerobic and anaerobic reactions, we have found that this model reasonably predicts the use of terminal electron acceptors in simulated batch reactors, where reactions with higher energy yields occur before reactions with lower energy yields. However, among the aerobic reactions, we have also found this model predicts dominance of chemoautotrophs (e.g., nitrifiers) when their electron donor (e.g., ammonium) is abundant, despite the

  3. A thermodynamic formulation of root water uptake

    NASA Astrophysics Data System (ADS)

    Hildebrandt, A.; Kleidon, A.; Bechmann, M.

    2015-12-01

    By extracting bound water from the soil and lifting it to the canopy, root systems of vegetation perform work. Here we describe how the energetics involved in root water uptake can be quantified. The illustration is done using a simple, four-box model of the soil-root system to represent heterogeneity and a parameterization in which root water uptake is driven by the xylem potential of the plant with a fixed flux boundary condition. We use this approach to evaluate the effects of soil moisture heterogeneity and root system properties on the dissipative losses and export of energy involved in root water uptake. For this, we derive an expression that relates the energy export at the root collar to a sum of terms that reflect all fluxes and storage changes along the flow path in thermodynamic terms. We conclude that such a thermodynamic evaluation of root water uptake conveniently provides insights into the impediments of different processes along the entire flow path and explicitly accounting not only for the resistances along the flow path and those imposed by soil drying but especially the role of heterogenous soil water distribution. The results show that least energy needs to be exported and dissipative losses are minimized by a root system if it extracts water uniformly from the soil. This has implications for plant water relations in forests where canopies generate heterogenous input patterns. Our diagnostic in the energy domain should be useful in future model applications for quantifying how plants can evolve towards greater efficiency in their structure and function, particularly in heterogenous soil environments. Generally, this approach may help to better describe heterogeneous processes in the soil in a simple, yet physically-based way.

  4. UPTAKE OF HEAVY METALS IN BATCH SYSTEMS BY A RECYCLED IRON-BEARING MATERIAL

    EPA Science Inventory

    An iron-bearing material deriving from surface finishing operations in the manufacturing of cast-iron components demonstrates potential for removal of heavy metals from aqueous waste streams. Batch isotherm and rate experiments were conducted for uptake of cadmium, zinc, and lead...

  5. Adaptation of the pore diffusion model to describe multi-addition batch uptake high-throughput screening experiments.

    PubMed

    Traylor, Steven J; Xu, Xuankuo; Li, Yi; Jin, Mi; Li, Zheng Jian

    2014-11-14

    Equilibrium isotherm and kinetic mass transfer measurements are critical to mechanistic modeling of binding and elution behavior within a chromatographic column. However, traditional methods of measuring these parameters are impractically time- and labor-intensive. While advances in high-throughput robotic liquid handling systems have created time and labor-saving methods of performing kinetic and equilibrium measurements of proteins on chromatographic resins in a 96-well plate format, these techniques continue to be limited by physical constraints on protein addition, incubation and separation times; the available concentration of protein stocks and process pools; and practical constraints on resin and fluid volumes in the 96-well format. In this study, a novel technique for measuring protein uptake kinetics (multi-addition batch uptake) has been developed to address some of these limitations during high-throughput batch uptake kinetic measurements. This technique uses sequential additions of protein stock to chromatographic resin in a 96-well plate and the subsequent removal of each addition by centrifugation or vacuum separation. The pore diffusion model was adapted here to model multi-addition batch uptake and was tested and compared with traditional batch uptake measurements of uptake of an Fc-fusion protein on an anion exchange resin. Acceptable agreement between the two techniques is achieved for the two solution conditions investigated here. In addition, a sensitivity analysis of the model to the physical inputs is presented and the advantages and limitations of the multi-addition batch uptake technique are explored. PMID:25311484

  6. Specific oxygen uptake rate variations during batch fermentation of Bacillus thuringiensis subspecies kurstaki HD-1.

    PubMed

    Rowe, Gerald E; Margaritis, Argyrios; Wei, Ning

    2003-01-01

    The specific oxygen uptake rate (q(O)2, respiration rate) of Bacillus thuringiensis subsp. kurstaki HD-1 was very high at inoculation and was found to decrease essentially monotonically throughout both vegetative growth phase and transition phase under different batch culture conditions. Average q(O)2 values decreased from 8-10 mmol/g h at 1 h after inoculation to less than 2 mmol/g h by the time growth ended. The results are shown to be consistent with the few previous reports on q(O)2 in B. thuringiensis in the literature but also novel in that this pattern of monotonic decline has not been described previously. Both pH control and EDTA in low concentration shortened the vegetative growth phase and reduced the 10 h biomass concentration. Using plots of q(O)2 versus specific growth rate, mu, biomass yield based on the oxygen used for growth, was calculated for transition phase to be 0.041-0.047 g/mmol, consistent with literature values. The same plot also showed that the presence of EDTA resulted in an atypical q(O)2-mu trajectory and apparently much higher biomass yield from the oxygen consumed. PMID:14524704

  7. Thermodynamic formalism of water uptakes on solid porous adsorbents for adsorption cooling applications

    SciTech Connect

    Sun, Baichuan; Chakraborty, Anutosh

    2014-05-19

    This Letter presents a thermodynamic formulation to calculate the amount of water vapor uptakes on various adsorbents such as zeolites, metal organic frameworks, and silica gel for the development of an advanced adsorption chiller. This formalism is developed from the rigor of the partition distribution function of each water vapor adsorptive site on adsorbents and the condensation approximation of adsorptive water molecules and is validated with experimental data. An interesting and useful finding has been established that the proposed model is thermodynamically connected with the pore structures of adsorbent materials, and the water vapor uptake highly depends on the isosteric heat of adsorption at zero surface coverage and the adsorptive sites of the adsorbent materials. Employing the proposed model, the thermodynamic trends of water vapor uptakes on various adsorbents can be estimated.

  8. Composite polymeric beads containing N,N,N',N'-tetraoctyldiglycolamide for actinide ion uptake from nitric acid feeds: Batch uptake, kinetic modelling and column studies.

    PubMed

    Gujar, R B; Mohapatra, P K; Lakshmi, D Shanthana; Figoli, A

    2015-11-27

    Polyethersulphone (PES) based composite polymeric beads (CPB) containing TODGA (N,N,N',N'-tetraoctyldiglycolamide) as the extractant were prepared by conventional phase inversion technique and were tested for the uptake of actinide ions such as Am(3+), UO2(2+), Pu(4+), Np(4+) and fission product ions such as Eu(3+) and Sr(2+). The CPBs containing 2.5-10wt.% TODGA were characterized by various physical methods and their porosity, size, surface morphology, surface area and the degradation profile by thermogravimetry were analyzed. The batch uptake studies involved kinetics of metal ion sorption, uptake as a function of nitric acid concentration, kinetic modelling and adsorption isotherms and most of the studies involved the Am(3+) ions. The batch saturation sorption capacities for Eu(3+) loading at 3M HNO3 were determined to be 6.6±0.02, 9.1±0.02 and 22.3±0.04mgg(-1) of CRBs with 2.5wt.%, 5wt.% and 10wt.% TODGA, respectively. The sorption isotherm analysis with Langmuir, D-R and Freundlisch isotherms indicated chemisorption monolayer mechanism. Chromatographic studies indicated breakthrough of Eu(3+) (using a solution containing Eu carrier) after about 0.75 bed volume (3.5-4mL). Elution of the loaded Eu was carried out using 0.01M EDTA as the eluent. PMID:26518494

  9. Evidencing the role of lactose permease in IPTG uptake by Escherichia coli in fed-batch high cell density cultures.

    PubMed

    Fernández-Castané, Alfred; Vine, Claire E; Caminal, Glòria; López-Santín, Josep

    2012-02-10

    The lac-operon and its components have been studied for decades and it is widely used as one of the common systems for recombinant protein production in Escherichia coli. However, the role of the lactose permease, encoded by the lacY gene, when using the gratuitous inducer IPTG for the overexpression of heterologous proteins, is still a matter of discussion. A lactose permease deficient strain was successfully constructed. Growing profiles and acetate production were compared with its parent strain at shake flask scale. Our results show that the lac-permease deficient strain grows slower than the parent in defined medium at shake flask scale, probably due to a downregulation of the phosphotransferase system (PTS). The distributions of IPTG in the medium and inside the cells, as well as recombinant protein production were measured by HPLC-MS and compared in substrate limiting fed-batch fermentations at different inducer concentrations. For the mutant strain, IPTG concentration in the medium depletes slower, reaching at the end of the culture higher concentration values compared with the parent strain. Final intracellular and medium concentrations of IPTG were similar for the mutant strain, while higher intracellular concentrations than in medium were found for the parent strain. Comparison of the distribution profiles of IPTG of both strains in fed-batch fermentations showed that lac-permease is crucially involved in IPTG uptake. In the absence of the transporter, apparently IPTG only diffuses, while in the presence of lac-permease, the inducer accumulates in the cytoplasm at higher rates emphasizing the significant contribution of the permease-mediated transport. PMID:22202176

  10. Magnesium Uptake by the Green Microalga Chlorella vulgaris in Batch Cultures.

    PubMed

    Ben Amor-Ben Ayed, Hela; Taidi, Behnam; Ayadi, Habib; Pareau, Dominique; Stambouli, Moncef

    2016-03-01

    The accumulation (internal and superficial distribution) of magnesium ions (Mg(2+)) by the green freshwater microalga Chlorella vulgaris (C. vulgaris) was investigated under autotrophic culture in a stirred photobioreactor. The concentrations of the three forms of Mg(2+) (dissolved, extracellular, and intracellular) were determined with atomic absorption spectroscopy during the course of C. vulgaris growth. The proportions of adsorbed (extracellular) and absorbed (intracellular) Mg(2+) were quantified. The concentration of the most important pigment in algal cells, chlorophyll a, increased over time in proportion to the increase in the biomass concentration, indicating a constant chlorophyll/biomass ratio during the linear growth phase. The mean-average rate of Mg(2+) uptake by C. vulgaris grown in a culture medium starting with 16 mg/l of Mg(2+) concentration was measured. A clear relationship between the biomass concentration and the proportion of the Mg(2+) removal from the medium was observed. Of the total Mg(2+) present in the culture medium, 18% was adsorbed on the cell wall and 51% was absorbed by the biomass by the end of the experiment (765 h). Overall, 69% of the initial Mg(2+) were found to be removed from the medium. This study supported the kinetic model based on a reversible first-order reaction for Mg(2+) bioaccumulation in C. vulgaris, which was consistent with the experimental data. PMID:26628253

  11. Using thermodynamics to assess biotic and abiotic impediments to root water uptake

    NASA Astrophysics Data System (ADS)

    Bechmann, Marcel; Hildebrandt, Anke; Kleidon, Axel

    2016-04-01

    Root water uptake has been the subject of extensive research, dealing with understanding the processes limiting transpiration and understanding strategies of plants to avoid water stress. Many of those studies use models of water flow from the soil through the plant into the atmosphere to learn about biotic and abiotic factors affecting plant water relations. One important question in this context is to identify those processes that are most limiting to water transport, and specifically whether these processes lie within the plant or the soil? Here, we propose to use a thermodynamic formulation of root water uptake to answer this question. The method allows us to separate the energy exported at the root collar into a sum of energy fluxes related to all processes along the flow path, notably including the effect of increasing water retention in drier soils. Evaluation of the several contributions allows us to identify and rank the processes by how much these impede water flow from the soil to the atmosphere. The application of this approach to a complex 3-dimensional root water uptake model reveals insights on the role of root versus soil resistances to limit water flow. We investigate the efficiency of root water uptake in an ensemble of root systems with varying root hydraulic properties. While root morphology is kept the same, root radial and axial resistances are artificially varied. Starting with entirely young systems (uptake roots, high radial, low axial conductance) we increasingly add older roots (transport roots, high axial, low radial conductance) to improve transport within root systems. This yields a range of root hydraulic architectures, where the extremes are limited either by radial uptake capacity or low capacity to transport water along the root system. We model root water uptake in this range of root systems with a 3-dimensional root water uptake model in two different soils, applying constant flux boundary conditions in a dry down experiment and

  12. Oxidation and hydrogen uptake in zirconium, Zircaloy-2 and Zircaloy-4: Computational thermodynamics and ab initio calculations

    NASA Astrophysics Data System (ADS)

    Glazoff, Michael V.; Tokuhiro, Akira; Rashkeev, Sergey N.; Sabharwall, Piyush

    2014-01-01

    Zirconium-based alloys Zircaloy-2 and Zircaloy-4 are widely used in nuclear industry as cladding materials for BWRs and PWRs, respectively. Over more than 60 years these materials displayed a very good combination of properties such as low neutron absorption, creep behavior, stress-corrosion cracking resistance, reduced hydrogen uptake, corrosion, and/or oxidation, especially in the case of Zircaloy-4 [1-3]. However, over the last couple of years energetic efforts were undertaken to improve their oxidation resistance during off-normal temperature excursions, as well as to further improve upon the already achieved levels of mechanical behavior and reduced hydrogen uptake [1-3]. In order to facilitate the development of such novel materials, it is very important to achieve not only engineering control, but also scientific understanding of the underlying material degradation mechanisms, both in working conditions and in storage of spent nuclear fuel. This paper strives to contribute to these efforts by constructing the thermodynamic models of both alloys, constructing of the respective phase diagrams, and oxidation mechanisms. A special emphasis was placed upon the role of zirconium suboxides [4] in hydrogen uptake reduction and the atomic mechanisms of oxidation. To that end, computational thermodynamics calculations were conducted concurrently with first-principles atomistic modeling.

  13. Uptake and Retention of Cs137 by a Blue-Green Alga in Continuous Flow and Batch Culture Systems

    SciTech Connect

    Watts, J.R.

    2003-02-18

    Since routine monitoring data show that blue-green algae concentrate radioactivity from water by factors as great as 10,000, this study was initiated to investigate the uptake and retention patterns of specific radionuclides by the dominant genera of blue-green algae in the reactor effluents. Plectonema purpureum was selected for this study.

  14. A new bioenergetic and thermodynamic approach to batch photoautotrophic growth of Arthrospira (Spirulina) platensis in different photobioreactors and under different light conditions.

    PubMed

    da Silva, Milena Fernandes; Casazza, Alessandro Alberto; Ferrari, Pier Francesco; Perego, Patrizia; Bezerra, Raquel Pedrosa; Converti, Attilio; Porto, Ana Lucia Figueiredo

    2016-05-01

    Photobioreactor configuration, mode of operation and light intensity are known to strongly impact on cyanobacteria growth. To shed light on these issues, kinetic, bioenergetic and thermodynamic parameters of batch Arthrospira platensis cultures were estimated along the time at photosynthetic photon flux density (PPFD) of 70μmolm(-2)s(-1) in different photobioreactors with different surface/volume ratio (S/V), namely open pond (0.25cm(-1)), shaken flask (0.48cm(-1)), horizontal photobioreactor (HoP) (1.94cm(-1)) and helicoidal photobioreactor (HeP) (3.88cm(-1)). Maximum biomass concentration and productivity remarkably increased with S/V up to 1.94cm(-1). HoP was shown to be the best-performing system throughout the whole runs, while HeP behaved better only at the start. Runs carried out in HoP increasing PPFD from 40 to 100μmolm(-2)s(-1) revealed a progressive enhancement of bioenergetics and thermodynamics likely because of favorable light distribution. HoP appeared to be a promising configuration to perform high-yield indoor cyanobacterial cultures. PMID:26890797

  15. Biomechanics and Thermodynamics of Nanoparticle Interactions with Plasma and Endosomal Membrane Lipids in Cellular Uptake and Endosomal Escape

    PubMed Central

    2015-01-01

    To be effective for cytoplasmic delivery of therapeutics, nanoparticles (NPs) taken up via endocytic pathways must efficiently transport across the cell membrane and subsequently escape from the secondary endosomes. We hypothesized that the biomechanical and thermodynamic interactions of NPs with plasma and endosomal membrane lipids are involved in these processes. Using model plasma and endosomal lipid membranes, we compared the interactions of cationic NPs composed of poly(d,l-lactide-co-glycolide) modified with the dichain surfactant didodecyldimethylammonium bromide (DMAB) or the single-chain surfactant cetyltrimethylammonium bromide (CTAB) vs anionic unmodified NPs of similar size. We validated our hypothesis in doxorubicin-sensitive (MCF-7, with relatively fluid membranes) and resistant breast cancer cells (MCF-7/ADR, with rigid membranes). Despite their cationic surface charges, DMAB- and CTAB-modified NPs showed different patterns of biophysical interaction: DMAB-modified NPs induced bending of the model plasma membrane, whereas CTAB-modified NPs condensed the membrane, thereby resisted bending. Unmodified NPs showed no effects on bending. DMAB-modified NPs also induced thermodynamic instability of the model endosomal membrane, whereas CTAB-modified and unmodified NPs had no effect. Since bending of the plasma membrane and destabilization of the endosomal membrane are critical biophysical processes in NP cellular uptake and endosomal escape, respectively, we tested these NPs for cellular uptake and drug efficacy. Confocal imaging showed that in both sensitive and resistant cells DMAB-modified NPs exhibited greater cellular uptake and escape from endosomes than CTAB-modified or unmodified NPs. Further, paclitaxel-loaded DMAB-modified NPs induced greater cytotoxicity even in resistant cells than CTAB-modified or unmodified NPs or drug in solution, demonstrating the potential of DMAB-modified NPs to overcome the transport barrier in resistant cells. In

  16. The Thermodynamic Flow-Force Interpretation of Root Nutrient Uptake Kinetics: A Powerful Formalism for Agronomic and Phytoplanktonic Models.

    PubMed

    Le Deunff, Erwan; Tournier, Pierre-Henri; Malagoli, Philippe

    2016-01-01

    The ion influx isotherms obtained by measuring unidirectional influx across root membranes with radioactive or stable tracers are mostly interpreted by enzyme-substrate-like modeling. However, recent analyses from ion transporter mutants clearly demonstrate the inadequacy of the conventional interpretation of ion isotherms. Many genetically distinct carriers are involved in the root catalytic function. Parameters Vmax and Km deduced from this interpretation cannot therefore be regarded as microscopic parameters of a single transporter, but are instead macroscopic parameters (V[Formula: see text] and K[Formula: see text], apparent maximum velocity and affinity constant) that depend on weighted activities of multiple transporters along the root. The flow-force interpretation based on the thermodynamic principle of irreversible processes is an alternative macroscopic modeling approach for ion influx isotherms in which macroscopic parameters Lj (overall conductance of the root system for the substrate j) and πj (thermodynamic parameter when Jj = 0) have a straightforward meaning with respect to the biological sample studied. They characterize the efficiency of the entire root catalytic structure without deducing molecular characteristics. Here we present the basic principles of this theory and how its use can be tested and improved by changing root pre- and post-wash procedures before influx measurements in order to come as close as possible to equilibrium conditions. In addition, the constant values of Vm and Km in the Michaelis-Menten (MM) formalism of enzyme-substrate interpretation do not reflect variations in response to temperature, nutrient status or nutrient regimes. The linear formalism of the flow-force approach, which integrates temperature effect on nutrient uptake, could usefully replace MM formalism in the 1-3-dimension models of plants and phytoplankton. This formalism offers a simplification of parametrization to help find more realistic analytical

  17. The Thermodynamic Flow-Force Interpretation of Root Nutrient Uptake Kinetics: A Powerful Formalism for Agronomic and Phytoplanktonic Models

    PubMed Central

    Le Deunff, Erwan; Tournier, Pierre-Henri; Malagoli, Philippe

    2016-01-01

    The ion influx isotherms obtained by measuring unidirectional influx across root membranes with radioactive or stable tracers are mostly interpreted by enzyme-substrate-like modeling. However, recent analyses from ion transporter mutants clearly demonstrate the inadequacy of the conventional interpretation of ion isotherms. Many genetically distinct carriers are involved in the root catalytic function. Parameters Vmax and Km deduced from this interpretation cannot therefore be regarded as microscopic parameters of a single transporter, but are instead macroscopic parameters (Vmapp and Kmapp, apparent maximum velocity and affinity constant) that depend on weighted activities of multiple transporters along the root. The flow-force interpretation based on the thermodynamic principle of irreversible processes is an alternative macroscopic modeling approach for ion influx isotherms in which macroscopic parameters Lj (overall conductance of the root system for the substrate j) and πj (thermodynamic parameter when Jj = 0) have a straightforward meaning with respect to the biological sample studied. They characterize the efficiency of the entire root catalytic structure without deducing molecular characteristics. Here we present the basic principles of this theory and how its use can be tested and improved by changing root pre- and post-wash procedures before influx measurements in order to come as close as possible to equilibrium conditions. In addition, the constant values of Vm and Km in the Michaelis-Menten (MM) formalism of enzyme-substrate interpretation do not reflect variations in response to temperature, nutrient status or nutrient regimes. The linear formalism of the flow-force approach, which integrates temperature effect on nutrient uptake, could usefully replace MM formalism in the 1-3-dimension models of plants and phytoplankton. This formalism offers a simplification of parametrization to help find more realistic analytical expressions and numerical

  18. Mechanism of uranium(VI) uptake by Saccharomyces cerevisiae under environmentally relevant conditions: batch, HRTEM, and FTIR studies.

    PubMed

    Lu, Xia; Zhou, Xiao-jiao; Wang, Tie-shan

    2013-11-15

    Biosorption is of significance for the safety evaluation of high-level nuclear wastes repositories and remediation of radioactive contamination places. Quantitive study and structural characterization of uranium uptake by both live and heat-killed Saccharomyces cerevisiae at environmentally relevant uranium concentration and with different ionic strengths were carried out. Kinetic investigation showed the equilibrium reached within 15 min. In equilibrium studies, pH shift towards neutral indicated release of hydroxyl ions. pH was the most important factor, which partly affected electrostatic interaction between uranyl ions and S. cerevisiae surface. The high ionic strength inhibited biosorption capacity, which can be explained by a competitive reaction between sodium ions and uranyl ions. Heat killing process significantly enhanced biosorption capacity, showing an order of magnitude higher than that of live cells. High resolution transmission electron microscopy (HRTEM) coupled with energy dispersive X-ray (EDX) showed needle-like uranium-phosphate precipitation formed on the cell walls for both live and heat-killed cells. Besides, dark-field micrographs displayed considerable similar uranium-phosphate precipitation presented outside the heat-killed cells. The phosphate released during heat-killing process. FTIR illustrated function groups hydroxyl, carboxyl, phosphate, and amino groups played important role in complexation with uranium. PMID:24041822

  19. Norbadione a: kinetics and thermodynamics of cesium uptake in aqueous and alcoholic media.

    PubMed

    Korovitch, Alexandre; Mulon, Jean-Baptiste; Souchon, Vincent; Leray, Isabelle; Valeur, Bernard; Mallinger, Aurélie; Nadal, Brice; Le Gall, Thierry; Lion, Claude; Ha-Duong, Nguyêt-Thanh; El Hage Chahine, Jean-Michel

    2010-10-01

    Norbadione A (NbA) is a mushroom pigment, which is assumed to be involved in (137)Cs accumulation all over Europe during the Chernobyl nuclear accident. NbA bears seven acid-base functional groups, among which are two enolic and two carboxylic acid moieties. This work deals with complex formation of Cs(+) and NbA in ethanol, ethanol/water (9:1) (M1), and water with, when required, the support of two Cs(+) ionophore probes, calix[4]arene-bis(crown-6-ether)dioxycoumarine (A1) and its tetrasuslfonated form (A2). In ethanol, two Cs(+) complexes are formed, with the affinity constants K(1EtOH) = (1.1 ± 0.25) × 10(5) and K(2EtOH) = (2.1 ± 0.4) × 10(3). In M1, a single Cs(+) complex occurs when only the enols are deprotonated, whereas a bicomplex is formed when both enols and carboxylic acids are deprotonated: K(1M1) = (1.5 ± 0.3) × 10(5) and K(2M1) = (4 ± 2) × 10(3). These data are confirmed by stopped-flow and T-jump kinetics. In ethanol, a fast Cs(+) exchange occurs between NbA and A1: direct rate constant, k(1) = (3.1 ± 0.1) × 10(7) M(-1) s(-1); reverse rate constant k(-1) = (2.8 ± 1) × 10(5) M(-1) s(-1); and Cs(+) exchange constant, K(1Exchange) = (9 ± 4) × 10(-3). In M1, the quenching of A2 fluorescence by NbA is used to determine the kinetics of complex formation with Cs(+): k(2) = (1.8 ± 0.4) × 10(9) M(-1) s(-1); k(-2) = (1.80 ± 0.15) × 10(4) s(-1); and K(1M1) = (1.5 ± 0.5) × 10(5). The affinity of NbA for Cs(+) is probably the result of the particular structure in which the two pulvinic acid arms adopt a conformation that forms two complexation sites composed of the two enolates and/or the two carboxylates. This renders the efficiency in Cs(+) uptake comparable to that of some calixarenes or crown ethers. PMID:20831226

  20. Sequestration of Sr(II) By Calcium Oxalate - a Batch Uptake Study And EXAFS Analysis of Model Compounds And Reaction Products

    SciTech Connect

    Singer, D.M.; Johnson, S.B.; Catalano, J.G.; Farges, F.; Brown, G.E.; Jr.

    2009-05-26

    Calcium oxalate monohydrate (CaC{sub 2}O{sub 4}{center_dot}H{sub 2}O -- abbreviated as CaOx) is produced by two-thirds of all plant families, comprising up to 80 wt.% of the plant tissue and found in many surface environments. It is unclear, however, how CaOx in plants and soils interacts with metal ions and possibly sequesters them. This study examines the speciation of Sr(II){sub aq} following its reaction with CaOx. Batch uptake experiments were conducted over the pH range 4--10, with initial Sr solution concentrations, [Sr]{sub aq}, ranging from 1 x 10{sup -4} to 1 x 10{sup -3} M and ionic strengths ranging of 0.001--0.1 M, using NaCl as the background electrolyte. Experimental results indicate that Sr uptake is independent of pH and ionic strength over these ranges. After exposure of CaOx to Sr{sub aq} for two days, the solution Ca concentration, [Ca]{sup aq}, increased for all samples relative to the control CaOx suspension (with no Sr added). The amount of Sr{sub aq} removed from solution was nearly equal to the total [Ca]{sup aq} after exposure of CaOx to Sr. These results suggest that nearly 90% of the Sr is removed from solution to a solid phase as Ca is released into solution. We suggest that the other 10% is sequestered through surface adsorption on a solid phase, although we have no direct evidence for this. Extended X-ray absorption fine structure (EXAFS) spectroscopy was used to determine the molecular-level speciation of Sr in the reaction products. Deconvolutions of the Sr K-edge EXAFS spectra were performed to identify multi-electron excitation (MEE) features. MEE effects were found to give rise to low-frequency peaks in the Fourier transform before the first shell of oxygen atoms and do not affect EXAFS fitting results. Because of potential problems caused by asymmetric distributions of Sr-O distances when fitting Sr K-edge EXAFS data using the standard harmonic model, we also employed a cumulant expansion model and an asymmetric analytical model

  1. Manganese uptake of imprinted polymers

    DOE Data Explorer

    Susanna Ventura

    2015-09-30

    Batch tests of manganese imprinted polymers of variable composition to assess their ability to extract lithium and manganese from synthetic brines at T=45C . Data on manganese uptake for two consecutive cycles are included.

  2. Thermodynamic equilibrium analyses of the uptake of aromatic compounds from an aqueous solution by magnesium-aluminum (Mg-Al) layered double hydroxide intercalated with 1-naphthol-3,8-disulfonate

    NASA Astrophysics Data System (ADS)

    Kameda, Tomohito; Uchiyama, Tomomi; Yoshioka, Toshiaki

    2013-06-01

    Magnesium-aluminum layered double hydroxide (Mg-Al LDH) intercalated with 1-naphthol-3,8-disulfonate (1-N-3,8-DS2-) was prepared by coprecipitation. Thermodynamically, the prepared Mg-Al LDH showed greater preferential uptake of 1,3-dinitrobenzene (DNB) than of 1,2-dimethoxybenzene (DMB). This preferential uptake of aromatic compounds, which is adequately expressed by the Dubinin-Radushkevich adsorption isotherm, was attributed to the π-π stacking interactions between the benzene ring of the aromatic compounds and the naphthalene core of 1-N-3,8-DS2- intercalated in the interlayer spaces of Mg-Al LDH. Negative values of ΔG for DNB and DMB indicate that the adsorption process is spontaneous at all temperatures. The value of ΔS for DNB was much lower than that for DMB. This implies that DNB was far more strongly adsorbed to 1-N-3,8-DS2- than was DMB, resulting in a lower degree of freedom for and higher uptake of DNB than those in the case DMB. The absolute values of |ΔH| for DNB and DMB were less than 20 kJ mol-1, indicating that the uptake of DNB or DMB by 1-N-3,8-DS·Mg-Al LDH can be considered a physical adsorption process caused by π-π stacking interactions.

  3. Batch-to-batch reproducibility of Transferon™.

    PubMed

    Medina-Rivero, Emilio; Merchand-Reyes, Giovanna; Pavón, Lenin; Vázquez-Leyva, Said; Pérez-Sánchez, Gilberto; Salinas-Jazmín, Nohemí; Estrada-Parra, Sergio; Velasco-Velázquez, Marco; Pérez-Tapia, Sonia Mayra

    2014-01-01

    Human dialyzable leukocyte extracts (DLEs) are heterogeneous mixtures of low-molecular-weight peptides that modulate immune responses in various diseases. Due their complexity, standardized methods to identify their physicochemical properties and determine that production batches are biologically active must be established. We aimed to develop and validate a size exclusion ultra performance chromatographic (SE-UPLC) method to characterize Transferon™, a DLE that is produced under good manufacturing practices (GMPs). We analyzed an internal human DLE standard and 10 representative batches of Transferon™, all of which had a chromatographic profile characterized by 8 main peaks and a molecular weight range between 17.0 and 0.2kDa. There was high homogeneity between batches with regard to retention times and area percentages, varying by less than 0.2% and 30%, respectively, and the control chart was within 3 standard deviations. To analyze the biological activity of the batches, we studied the ability of Transferon™ to stimulate IFN-γ production in vitro. Transferon™ consistently induced IFN-γ production in Jurkat cells, demonstrating that this method can be included as a quality control step in releasing Transferon™ batches. Because all analyzed batches complied with the quality attributes that were evaluated, we conclude that the DLE Transferon™ is produced with high homogeneity. PMID:24099727

  4. Control of hydrogen release and uptake in amine borane molecular complexes: Thermodynamics of ammonia borane, ammonium borohydride, and the diammoniate of diborane

    SciTech Connect

    Autrey, Thomas; Bowden, Mark E.; Karkamkar, Abhijeet J.

    2011-05-23

    Molecular complexes of Lewis acid-base pairs can be used to activate molecular hydrogen for applications ranging from hydrogen storage for fuel cells to catalytic hydrogenation reactions. In this paper, we examine the factors that determine the thermodynamics of hydrogen activation of a Lewis acid-base pair using the pedagogical examples of ammonia borane (NH3BH3, AB) and ammonium borohydride ([NH4][BH4], ABH2). At ambient temperatures, ABH2 loses hydrogen to form the Lewis acid-base complex AB, suggesting that free energy drives the reaction to release hydrogen. However, direct measurement of the reaction enthalpy is not straightforward given the complex decomposition pathways leading to the formation of the diammoniate of diborane ([NH3BH3NH3][BH4], DADB). In this work, we compare two approaches for deriving the thermodynamic relationships among AB, DADB, and ABH2.

  5. 12 Batch coalescing studies

    SciTech Connect

    Kourbanis, I.; Wildman, D.; /Fermilab

    1995-01-01

    The purpose of the study was to identify and correct the problems in the 12 batch coalescing. The final goal is to be able to coalesce 12 booster batches of 11 bunches each into 12 bunches spaced at 21 buckets apart with an average intensity of 200 E9 ppb.

  6. Biosorptive uptake of Fe(2+), Cu(2+) and As(5+) by activated biochar derived from Colocasia esculenta: Isotherm, kinetics, thermodynamics, and cost estimation.

    PubMed

    Banerjee, Soumya; Mukherjee, Shraboni; LaminKa-Ot, Augustine; Joshi, S R; Mandal, Tamal; Halder, Gopinath

    2016-09-01

    The adsorptive capability of superheated steam activated biochar (SSAB) produced from Colocasia esculenta was investigated for removal of Cu(2+), Fe(2+) and As(5+) from simulated coal mine wastewater. SSAB was characterized by scanning electron microscopy, Fourier transform infrared spectroscopy and Brunauer-Emmett-Teller analyser. Adsorption isotherm indicated monolayer adsorption which fitted best in Langmuir isotherm model. Thermodynamic study suggested the removal process to be exothermic, feasible and spontaneous in nature. Adsorption of Fe(2+), Cu(2+) and As(5+) on to SSAB was found to be governed by pseudo-second order kinetic model. Efficacy of SSAB in terms of metal desorption, regeneration and reusability for multiple cycles was studied. Regeneration of metal desorbed SSAB with 1 N sodium hydroxide maintained its effectiveness towards multiple metal adsorption cycles. Cost estimation of SSAB production substantiated its cost effectiveness as compared to commercially available activated carbon. Hence, SSAB could be a promising adsorbent for metal ions removal from aqueous solution. PMID:27408763

  7. Software for batch farms

    SciTech Connect

    Ian Bird; Bryan Hess; Andy Kowalski

    2000-02-01

    Over the past few years, LSF has become a standard for job management on batch farms. However, there are many instances where it cannot be deployed for a variety of reasons. In large farms the cost may be prohibitive for the set of features actually used; small university groups who wish to clone the farms and software of larger laboratories often have constraints which preclude the use of LSF. This paper discusses a generic interface developed at Jefferson Lab to provide a set of common services to the user, while using any one of a variety of underlying batch management software products. Initially the system provides an interface to LSF and an alternative--Portable Batch System (PBS) developed by NASA and freely available in source form. It is straightforward to extend this to other systems. Such a generic interface allows users to move from one location to another and run their jobs with no modification, and by extension provides a framework for a ''global'' batch system where jobs submitted at one site may be transparently executed at another. The interface also provides additional features not found in the underlying batch software. Being written in Java, the client can be easily installed anywhere and allows for authenticated remote job submission and manipulation, including a web interface. This paper will also discuss the problem of keeping a large batch farm occupied with work without waiting for slow tape access. The use of file caching, pre-staging of files from tape and the interconnection with the batch system will be discussed. As well as automated techniques, the provision of appropriate information to the user to allow optimization should not be overlooked.

  8. Biosorptive uptake of ibuprofen by steam activated biochar derived from mung bean husk: Equilibrium, kinetics, thermodynamics, modeling and eco-toxicological studies.

    PubMed

    Mondal, Sandip; Bobde, Kiran; Aikat, Kaustav; Halder, Gopinath

    2016-11-01

    The present study explores the use of steam activated mung bean husk biochar (SA-MBHB) as a potential sorbent for the removal of non-steroidal and anti-inflammatory drug ibuprofen from aqueous solution. SA-MBHB was characterized by SEM, FTIR, BET, TGA, point of zero charge (pHPZC) and UV-Vis spectrophotometer. The relation between removal percentages of ibuprofen and parameters such as adsorbent dose (0.05 g-250 g), contact time (5 min-210 min), pH (2-10), speed of agitation (40-280 rpm), temperature (293-308 K) and initial ibuprofen concentration (5-100 ppm) was investigated and optimized by a series of batch sorption experiments. The optimized conditions achieved were: adsorbent dose 0.1 g/L, agitation speed 200 rpm, pH 2, initial ibuprofen concentration 20 mg L(-1), equilibrium time 120 min and temperature 20 °C for more than 99% adsorptive removal of ibuprofen. The equilibrium adsorption data were well fitted into the Langmuir isotherm model while kinetic data suggested the removal process to follow pseudo second order reaction. The adsorption phenomena were optimized and simulated by using response surface methodology (RSM) and artificial neural network (ANN). Effect of process variables viz. dose, agitation speed and pH on the sorbed amount of IBP was studied through a 2(3) full factorial central composite design (CCD). The comparative analysis was done for ibuprofen removal by constructing ANN model training using same experimental matrix of CCD. The growth of Scenedesmus abundans was also observed to be affected by the IBP solution whereas the biochar treated with IBP solution did not significantly affect the growth of the Scenedesmus abundans. The results revealed that SA-MBHB could be a cost-effective, efficient and non-hazardous adsorbent for the removal of ibuprofen from aqueous solution. PMID:27544645

  9. Debiasing Crowdsourced Batches

    PubMed Central

    Zhuang, Honglei; Parameswaran, Aditya; Roth, Dan; Han, Jiawei

    2015-01-01

    Crowdsourcing is the de-facto standard for gathering annotated data. While, in theory, data annotation tasks are assumed to be attempted by workers independently, in practice, data annotation tasks are often grouped into batches to be presented and annotated by workers together, in order to save on the time or cost overhead of providing instructions or necessary background. Thus, even though independence is usually assumed between annotations on data items within the same batch, in most cases, a worker's judgment on a data item can still be affected by other data items within the batch, leading to additional errors in collected labels. In this paper, we study the data annotation bias when data items are presented as batches to be judged by workers simultaneously. We propose a novel worker model to characterize the annotating behavior on data batches, and present how to train the worker model on annotation data sets. We also present a debiasing technique to remove the effect of such annotation bias from adversely affecting the accuracy of labels obtained. Our experimental results on both synthetic data and real-world data demonstrate the effectiveness of our proposed method. PMID:26713175

  10. Thermodynamics of Glass Melting

    NASA Astrophysics Data System (ADS)

    Conradt, Reinhard

    First, a model based on linear algebra is described by which the thermodynamic properties of industrial multi-component glasses and glass melts can be accurately predicted from their chemical composition. The model is applied to calculate the heat content of glass melts at high temperatures, the standard heat of formation of glasses from the elements, and the vapor pressures of individual oxides above the melt. An E-fiber glass composition is depicted as an example. Second, the role of individual raw materials in the melting process of E-glass is addressed, with a special focus on the decomposition kinetics and energetic situation of alkaline earth carriers. Finally, the heat of the batch-to-melt conversion is calculated. A simplified reaction path model comprising heat turnover, content of residual solid matter, and an approach to batch viscosity is outlined.

  11. GIDEP Batching Tool

    NASA Technical Reports Server (NTRS)

    Fong, Danny; Odell,Dorice; Barry, Peter; Abrahamian, Tomik

    2008-01-01

    This software provides internal, automated search mechanics of GIDEP (Government- Industry Data Exchange Program) Alert data imported from the GIDEP government Web site. The batching tool allows the import of a single parts list in tab-delimited text format into the local JPL GIDEP database. Delimiters from every part number are removed. The original part numbers with delimiters are compared, as well as the newly generated list without the delimiters. The two lists run against the GIDEP imports, and output any matches. This feature only works with Netscape 2.0 or greater, or Internet Explorer 4.0 or greater. The user selects the browser button to choose a text file to import. When the submit button is pressed, this script will import alerts from the text file into the local JPL GIDEP database. This batch tool provides complete in-house control over exported material and data for automated batch match abilities. The batching tool has the ability to match capabilities of the parts list to tables, and yields results that aid further research and analysis. This provides more control over GIDEP information for metrics and reports information not provided by the government site. This software yields results quickly and gives more control over external data from the government site in order to generate other reports not available from the external source. There is enough space to store years of data. The program relates to risk identification and management with regard to projects and GIDEP alert information encompassing flight parts for space exploration.

  12. Thermodynamic Diagrams

    NASA Astrophysics Data System (ADS)

    Chaston, Scot

    1999-02-01

    Thermodynamic data such as equilibrium constants, standard cell potentials, molar enthalpies of formation, and standard entropies of substances can be a very useful basis for an organized presentation of knowledge in diverse areas of applied chemistry. Thermodynamic data can become particularly useful when incorporated into thermodynamic diagrams that are designed to be easy to recall, to serve as a basis for reconstructing previous knowledge, and to determine whether reactions can occur exergonically or only with the help of an external energy source. Few students in our chemistry-based courses would want to acquire the depth of knowledge or rigor of professional thermodynamicists. But they should nevertheless learn how to make good use of thermodynamic data in their professional occupations that span the chemical, biological, environmental, and medical laboratory fields. This article discusses examples of three thermodynamic diagrams that have been developed for this purpose. They are the thermodynamic energy account (TEA), the total entropy scale, and the thermodynamic scale diagrams. These diagrams help in the teaching and learning of thermodynamics by bringing the imagination into the process of developing a better understanding of abstract thermodynamic functions, and by allowing the reader to keep track of specialist thermodynamic discourses in the literature.

  13. Progressing batch hydrolysis process

    DOEpatents

    Wright, John D.

    1986-01-01

    A progressive batch hydrolysis process for producing sugar from a lignocellulosic feedstock, comprising passing a stream of dilute acid serially through a plurality of percolation hydrolysis reactors charged with said feedstock, at a flow rate, temperature and pressure sufficient to substantially convert all the cellulose component of the feedstock to glucose; cooling said dilute acid stream containing glucose, after exiting the last percolation hydrolysis reactor, then feeding said dilute acid stream serially through a plurality of prehydrolysis percolation reactors, charged with said feedstock, at a flow rate, temperature and pressure sufficient to substantially convert all the hemicellulose component of said feedstock to glucose; and cooling the dilute acid stream containing glucose after it exits the last prehydrolysis reactor.

  14. Progressing batch hydrolysis process

    DOEpatents

    Wright, J.D.

    1985-01-10

    A progressive batch hydrolysis process is disclosed for producing sugar from a lignocellulosic feedstock. It comprises passing a stream of dilute acid serially through a plurality of percolation hydrolysis reactors charged with feed stock, at a flow rate, temperature and pressure sufficient to substantially convert all the cellulose component of the feed stock to glucose. The cooled dilute acid stream containing glucose, after exiting the last percolation hydrolysis reactor, serially fed through a plurality of pre-hydrolysis percolation reactors, charged with said feedstock, at a flow rate, temperature and pressure sufficient to substantially convert all the hemicellulose component of said feedstock to glucose. The dilute acid stream containing glucose is cooled after it exits the last prehydrolysis reactor.

  15. Thermodynamic holography.

    PubMed

    Wei, Bo-Bo; Jiang, Zhan-Feng; Liu, Ren-Bao

    2015-01-01

    The holographic principle states that the information about a volume of a system is encoded on the boundary surface of the volume. Holography appears in many branches of physics, such as optics, electromagnetism, many-body physics, quantum gravity, and string theory. Here we show that holography is also an underlying principle in thermodynamics, a most important foundation of physics. The thermodynamics of a system is fully determined by its partition function. We prove that the partition function of a finite but arbitrarily large system is an analytic function on the complex plane of physical parameters, and therefore the partition function in a region on the complex plane is uniquely determined by its values along the boundary. The thermodynamic holography has applications in studying thermodynamics of nano-scale systems (such as molecule engines, nano-generators and macromolecules) and provides a new approach to many-body physics. PMID:26478214

  16. Thermodynamic holography

    PubMed Central

    Wei, Bo-Bo; Jiang, Zhan-Feng; Liu, Ren-Bao

    2015-01-01

    The holographic principle states that the information about a volume of a system is encoded on the boundary surface of the volume. Holography appears in many branches of physics, such as optics, electromagnetism, many-body physics, quantum gravity, and string theory. Here we show that holography is also an underlying principle in thermodynamics, a most important foundation of physics. The thermodynamics of a system is fully determined by its partition function. We prove that the partition function of a finite but arbitrarily large system is an analytic function on the complex plane of physical parameters, and therefore the partition function in a region on the complex plane is uniquely determined by its values along the boundary. The thermodynamic holography has applications in studying thermodynamics of nano-scale systems (such as molecule engines, nano-generators and macromolecules) and provides a new approach to many-body physics. PMID:26478214

  17. Application of gain scheduling to the control of batch bioreactors

    NASA Technical Reports Server (NTRS)

    Cardello, Ralph; San, Ka-Yiu

    1987-01-01

    The implementation of control algorithms to batch bioreactors is often complicated by the inherent variations in process dynamics during the course of fermentation. Such a wide operating range may render the performance of fixed gain PID controllers unsatisfactory. In this work, a detailed study on the control of batch fermentation is performed. Furthermore, a simple batch controller design is proposed which incorporates the concept of gain-scheduling, a subclass of adaptive control, with oxygen uptake rate as an auxiliary variable. The control of oxygen tension in the biorector is used as a vehicle to convey the proposed idea, analysis and results. Simulation experiments indicate significant improvement in controller performance can be achieved by the proposed approach even in the presence of measurement noise.

  18. Insight into biosorption equilibrium, kinetics and thermodynamics of crystal violet onto Ananas comosus (pineapple) leaf powder

    NASA Astrophysics Data System (ADS)

    Chakraborty, Sagnik; Chowdhury, Shamik; Saha, Papita Das

    2012-06-01

    Biosorption performance of pineapple leaf powder (PLP) for removal of crystal violet (CV) from its aqueous solutions was investigated. To this end, the influence of operational parameters such as pH, biosorbent dose, initial dye concentration and temperature were studied employing a batch experimental setup. The biosorption process followed the Langmuir isotherm model with high correlation coefficients ( R 2 > 0.99) at different temperatures. The maximum monolayer biosorption capacity was found to be 78.22 mg g-1 at 293 K. The kinetic data conformed to the pseudo-second-order kinetic model. The activation energy of the system was calculated as 58.96 kJ mol- 1 , indicating chemisorption nature of the ongoing biosorption process. A thermodynamic study showed spontaneous and exothermic nature of the biosorption process. Owing to its low cost and high dye uptake capacity, PLP has potential for application as biosorbent for removal of CV from aqueous solutions.

  19. Stochastic thermodynamics

    NASA Astrophysics Data System (ADS)

    Eichhorn, Ralf; Aurell, Erik

    2014-04-01

    'Stochastic thermodynamics as a conceptual framework combines the stochastic energetics approach introduced a decade ago by Sekimoto [1] with the idea that entropy can consistently be assigned to a single fluctuating trajectory [2]'. This quote, taken from Udo Seifert's [3] 2008 review, nicely summarizes the basic ideas behind stochastic thermodynamics: for small systems, driven by external forces and in contact with a heat bath at a well-defined temperature, stochastic energetics [4] defines the exchanged work and heat along a single fluctuating trajectory and connects them to changes in the internal (system) energy by an energy balance analogous to the first law of thermodynamics. Additionally, providing a consistent definition of trajectory-wise entropy production gives rise to second-law-like relations and forms the basis for a 'stochastic thermodynamics' along individual fluctuating trajectories. In order to construct meaningful concepts of work, heat and entropy production for single trajectories, their definitions are based on the stochastic equations of motion modeling the physical system of interest. Because of this, they are valid even for systems that are prevented from equilibrating with the thermal environment by external driving forces (or other sources of non-equilibrium). In that way, the central notions of equilibrium thermodynamics, such as heat, work and entropy, are consistently extended to the non-equilibrium realm. In the (non-equilibrium) ensemble, the trajectory-wise quantities acquire distributions. General statements derived within stochastic thermodynamics typically refer to properties of these distributions, and are valid in the non-equilibrium regime even beyond the linear response. The extension of statistical mechanics and of exact thermodynamic statements to the non-equilibrium realm has been discussed from the early days of statistical mechanics more than 100 years ago. This debate culminated in the development of linear response

  20. Data-driven batch schuduling

    SciTech Connect

    Bent, John; Denehy, Tim; Arpaci - Dusseau, Remzi; Livny, Miron; Arpaci - Dusseau, Andrea C

    2009-01-01

    In this paper, we develop data-driven strategies for batch computing schedulers. Current CPU-centric batch schedulers ignore the data needs within workloads and execute them by linking them transparently and directly to their needed data. When scheduled on remote computational resources, this elegant solution of direct data access can incur an order of magnitude performance penalty for data-intensive workloads. Adding data-awareness to batch schedulers allows a careful coordination of data and CPU allocation thereby reducing the cost of remote execution. We offer here new techniques by which batch schedulers can become data-driven. Such systems can use our analytical predictive models to select one of the four data-driven scheduling policies that we have created. Through simulation, we demonstrate the accuracy of our predictive models and show how they can reduce time to completion for some workloads by as much as 80%.

  1. Batch compositions for cordierite ceramics

    DOEpatents

    Hickman, David L.

    1994-07-26

    Ceramic products consisting principally of cordierite and a method for making them are provided, the method employing batches comprising a mineral component and a chemical component, the mineral component comprising clay and talc and the chemical component consisting essentially of a combination of the powdered oxides, hydroxides, or hydrous oxides of magnesium, aluminum and silicon. Ceramics made by extrusion and firing of the batches can exhibit low porosity, high strength and low thermal expansion coefficients.

  2. Entanglement thermodynamics

    NASA Astrophysics Data System (ADS)

    Schliemann, John

    2014-09-01

    We investigate further the relationship between the entanglement spectrum of a composite many-body system and the energy spectrum of a subsystem making use of concepts of canonical thermodynamics. In many important cases the entanglement Hamiltonian is, in the limit of strong coupling between subsystems, proportional to the energy Hamiltonian of the subsystem. The proportionality factor is an appropriately defined coupling parameter, suggesting to interpret the latter as a inverse temperature. We identify a condition on the entanglement Hamiltonian which rigorously guarantees this interpretation to hold and removes any ambiguity in the definition of the entanglement Hamiltonian regarding contributions proportional to the unit operator. Illustrations of our findings are provided by spin ladders of arbitrary spin length, and by bilayer quantum Hall systems at total filling factor ν = 2. Within mean-field description, the latter system realizes an entanglement spectrum of free fermions with just two levels of equal modulus where the analogies to canonical thermodynamics are particularly close.

  3. Descriptive thermodynamics

    NASA Astrophysics Data System (ADS)

    Ford, David; Huntsman, Steven

    2006-06-01

    Thermodynamics (in concert with its sister discipline, statistical physics) can be regarded as a data reduction scheme based on partitioning a total system into a subsystem and a bath that weakly interact with each other. Whereas conventionally, the systems investigated require this form of data reduction in order to facilitate prediction, a different problem also occurs, in the context of communication networks, markets, etc. Such “empirically accessible” systems typically overwhelm observers with the sort of information that in the case of (say) a gas is effectively unobtainable. What is required for such complex interacting systems is not prediction (this may be impossible when humans besides the observer are responsible for the interactions) but rather, description as a route to understanding. Still, the need for a thermodynamical data reduction scheme remains. In this paper, we show how an empirical temperature can be computed for finite, empirically accessible systems, and further outline how this construction allows the age-old science of thermodynamics to be fruitfully applied to them.

  4. MBASIC batch processor architectural overview

    NASA Technical Reports Server (NTRS)

    Reynolds, S. M.

    1978-01-01

    The MBASIC (TM) batch processor, a language translator designed to operate in the MBASIC (TM) environment is described. Features include: (1) a CONVERT TO BATCH command, usable from the ready mode; and (2) translation of the users program in stages through several levels of intermediate language and optimization. The processor is to be designed and implemented in both machine-independent and machine-dependent sections. The architecture is planned so that optimization processes are transparent to the rest of the system and need not be included in the first design implementation cycle.

  5. NDA BATCH 2002-02

    SciTech Connect

    Lawrence Livermore National Laboratory

    2009-12-09

    QC sample results (daily background checks, 20-gram and 100-gram SGS drum checks) were within acceptable criteria established by WIPP's Quality Assurance Objectives for TRU Waste Characterization. Replicate runs were performed on 5 drums with IDs LL85101099TRU, LL85801147TRU, LL85801109TRU, LL85300999TRU and LL85500979TRU. All replicate measurement results are identical at the 95% confidence level as established by WIPP criteria. Note that the batch covered 5 weeks of SGS measurements from 23-Jan-2002 through 22-Feb-2002. Data packet for SGS Batch 2002-02 generated using gamma spectroscopy with the Pu Facility SGS unit is technically reasonable. All QC samples are in compliance with established control limits. The batch data packet has been reviewed for correctness, completeness, consistency and compliance with WIPP's Quality Assurance Objectives and determined to be acceptable. An Expert Review was performed on the data packet between 28-Feb-02 and 09-Jul-02 to check for potential U-235, Np-237 and Am-241 interferences and address drum cases where specific scan segments showed Se gamma ray transmissions for the 136-keV gamma to be below 0.1 %. Two drums in the batch showed Pu-238 at a relative mass ratio more than 2% of all the Pu isotopes.

  6. Batching System for Superior Service

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Veridian's Portable Batch System (PBS) was the recipient of the 1997 NASA Space Act Award for outstanding software. A batch system is a set of processes for managing queues and jobs. Without a batch system, it is difficult to manage the workload of a computer system. By bundling the enterprise's computing resources, the PBS technology offers users a single coherent interface, resulting in efficient management of the batch services. Users choose which information to package into "containers" for system-wide use. PBS also provides detailed system usage data, a procedure not easily executed without this software. PBS operates on networked, multi-platform UNIX environments. Veridian's new version, PBS Pro,TM has additional features and enhancements, including support for additional operating systems. Veridian distributes the original version of PBS as Open Source software via the PBS website. Customers can register and download the software at no cost. PBS Pro is also available via the web and offers additional features such as increased stability, reliability, and fault tolerance.A company using PBS can expect a significant increase in the effective management of its computing resources. Tangible benefits include increased utilization of costly resources and enhanced understanding of computational requirements and user needs.

  7. Physicochemical Characteristics of Transferon™ Batches.

    PubMed

    Medina-Rivero, Emilio; Vallejo-Castillo, Luis; Vázquez-Leyva, Said; Pérez-Sánchez, Gilberto; Favari, Liliana; Velasco-Velázquez, Marco; Estrada-Parra, Sergio; Pavón, Lenin; Pérez-Tapia, Sonia Mayra

    2016-01-01

    Transferon, a biotherapeutic agent that has been used for the past 2 decades for diseases with an inflammatory component, has been approved by regulatory authorities in Mexico (COFEPRIS) for the treatment of patients with herpes infection. The active pharmaceutical ingredient (API) of Transferon is based on polydispersion of peptides that have been extracted from lysed human leukocytes by a dialysis process and a subsequent ultrafiltration step to select molecules below 10 kDa. To physicochemically characterize the drug product, we developed chromatographic methods and an SDS-PAGE approach to analyze the composition and the overall variability of Transferon. Reversed-phase chromatographic profiles of peptide populations demonstrated batch-to-batch consistency from 10 representative batches that harbored 4 primary peaks with a relative standard deviation (RSD) of less than 7%. Aminogram profiles exhibited 17 proteinogenic amino acids and showed that glycine was the most abundant amino acid, with a relative content of approximately 18%. Further, based on their electrophoretic migration, the peptide populations exhibited a molecular mass of about 10 kDa. Finally, we determined the Transferon fingerprint using a mass spectrometry tool. Because each batch was produced from independent pooled buffy coat samples from healthy donors, supplied by a local blood bank, our results support the consistency of the production of Transferon and reveal its peptide identity with regard to its physicochemical attributes. PMID:27525277

  8. Physicochemical Characteristics of Transferon™ Batches

    PubMed Central

    Pérez-Sánchez, Gilberto; Favari, Liliana; Estrada-Parra, Sergio

    2016-01-01

    Transferon, a biotherapeutic agent that has been used for the past 2 decades for diseases with an inflammatory component, has been approved by regulatory authorities in Mexico (COFEPRIS) for the treatment of patients with herpes infection. The active pharmaceutical ingredient (API) of Transferon is based on polydispersion of peptides that have been extracted from lysed human leukocytes by a dialysis process and a subsequent ultrafiltration step to select molecules below 10 kDa. To physicochemically characterize the drug product, we developed chromatographic methods and an SDS-PAGE approach to analyze the composition and the overall variability of Transferon. Reversed-phase chromatographic profiles of peptide populations demonstrated batch-to-batch consistency from 10 representative batches that harbored 4 primary peaks with a relative standard deviation (RSD) of less than 7%. Aminogram profiles exhibited 17 proteinogenic amino acids and showed that glycine was the most abundant amino acid, with a relative content of approximately 18%. Further, based on their electrophoretic migration, the peptide populations exhibited a molecular mass of about 10 kDa. Finally, we determined the Transferon fingerprint using a mass spectrometry tool. Because each batch was produced from independent pooled buffy coat samples from healthy donors, supplied by a local blood bank, our results support the consistency of the production of Transferon and reveal its peptide identity with regard to its physicochemical attributes. PMID:27525277

  9. Simulated Batch Production of Penicillin

    ERIC Educational Resources Information Center

    Whitaker, A.; Walker, J. D.

    1973-01-01

    Describes a program in applied biology in which the simulation of the production of penicillin in a batch fermentor is used as a teaching technique to give students experience before handling a genuine industrial fermentation process. Details are given for the calculation of minimum production cost. (JR)

  10. Natural thermodynamics

    NASA Astrophysics Data System (ADS)

    Annila, Arto

    2016-02-01

    The principle of increasing entropy is derived from statistical physics of open systems assuming that quanta of actions, as undividable basic build blocks, embody everything. According to this tenet, all systems evolve from one state to another either by acquiring quanta from their surroundings or by discarding quanta to the surroundings in order to attain energetic balance in least time. These natural processes result in ubiquitous scale-free patterns: skewed distributions that accumulate in a sigmoid manner and hence span log-log scales mostly as straight lines. Moreover, the equation for least-time motions reveals that evolution is by nature a non-deterministic process. Although the obtained insight in thermodynamics from the notion of quanta in motion yields nothing new, it accentuates that contemporary comprehension is impaired when modeling evolution as a computable process by imposing conservation of energy and thereby ignoring that quantum of actions are the carriers of energy from the system to its surroundings.

  11. INDISIM-Paracoccus, an individual-based and thermodynamic model for a denitrifying bacterium.

    PubMed

    Araujo Granda, Pablo; Gras, Anna; Ginovart, Marta; Moulton, Vincent

    2016-08-21

    We have developed an individual-based model for denitrifying bacteria. The model, called INDISIM-Paracoccus, embeds a thermodynamic model for bacterial yield prediction inside the individual-based model INDISIM, and is designed to simulate the bacterial cell population behavior and the product dynamics within the culture. The INDISIM-Paracoccus model assumes a culture medium containing succinate as a carbon source, ammonium as a nitrogen source and various electron acceptors such as oxygen, nitrate, nitrite, nitric oxide and nitrous oxide to simulate in continuous or batch culture the different nutrient-dependent cell growth kinetics of the bacterium Paracoccus denitrificans. The individuals in the model represent microbes and the individual-based model INDISIM gives the behavior-rules that they use for their nutrient uptake and reproduction cycle. Three previously described metabolic pathways for P. denitrificans were selected and translated into balanced chemical equations using a thermodynamic model. These stoichiometric reactions are an intracellular model for the individual behavior-rules for metabolic maintenance and biomass synthesis and result in the release of different nitrogen oxides to the medium. The model was implemented using the NetLogo platform and it provides an interactive tool to investigate the different steps of denitrification carried out by a denitrifying bacterium. The simulator can be obtained from the authors on request. PMID:27179457

  12. Advances in thermodynamics

    SciTech Connect

    Sieniutycz, S. ); Salamon, P. )

    1990-01-01

    This book covers: nonequilibrium thermodynamics for solar energy applications; finite-time thermodynamics as applied to solar power conversion; thermodynamics and economics; exergy analysis; and an analysis of cumulative exergy consumption and exergy losses.

  13. NDA Batch 2002-13

    SciTech Connect

    Hollister, R

    2009-09-17

    QC sample results (daily background check drum and 100-gram SGS check drum) were within acceptance criteria established by WIPP's Quality Assurance Objectives for TRU Waste Characterization. Replicate runs were performed on drum LL85501243TRU. Replicate measurement results are identical at the 95% confidence level as established by WIPP criteria. HWM NCAR No. 02-1000168 issued on 17-Oct-2002 regarding a partially dislodged Cd sheet filter on the HPGe coaxial detector. This physical geometry occurred on 01-Oct-2002 and was not corrected until 10-Oct-2002, during which period is inclusive of the present batch run of drums. Per discussions among the Independent Technical Reviewer, Expert Reviewer and the Technical QA Supervisor, as well as in consultation with John Fleissner, Technical Point of Contact from Canberra, the analytical results are technically reliable. All QC standard runs during this period were in control. Data packet for SGS Batch 2002-13 generated using passive gamma-ray spectroscopy with the Pu Facility SGS unit is technically reasonable. All QC samples are in compliance with establiShed control limits. The batch data packet has been reviewed for correctness, completeness, consistency and compliance with WIPP's Quality Assurance Objectives and determined to be acceptable.

  14. Thermodynamic interpolation

    SciTech Connect

    Maiden, D E

    1998-10-01

    A method for constructing bicubic interpolation polynomials for the pressure P and internal energy E that are thermodynamically consistent at the mesh ponts and continuous across mesh boundaries is presented. The slope boundary conditions for the pressure and energy are derived from finite differences of the data and from Maxwell's consistency relation. Monotonicity of the sound speed and the specific heat is obtained by a bilinear interpolation of the slopes of the tabulated data. Monotonicity of the functions near steep gradients may be achieved by mesh refinement or by using a non-consistent bilinear to the data. Mesh refinement is very efficient for uniform-linear or uniform-logarithmic spaced data because a direct table lookup can be used. The direct method was compared to binary search and was 37 percent faster for logarithmic-spaced data and 106 percent faster for linear-spaced data. This improvement in speed is very important in the radiation-transport opacity-lookup part of the calculation. Interpolation in P-E space, with mesh refinement, can be made simple, robust, and conserve energy. In the final analysis the interpolation of the free energy and entropy (Maiden and Cook) remains a competitor.

  15. Thermodynamics of Radiation Modes

    ERIC Educational Resources Information Center

    Pina, Eduardo; de la Selva, Sara Maria Teresa

    2010-01-01

    We study the equilibrium thermodynamics of the electromagnetic radiation in a cavity of a given volume and temperature. We found three levels of description, the thermodynamics of one mode, the thermodynamics of the distribution of frequencies in a band by summing over the frequencies in it and the global thermodynamics by summing over all the…

  16. A dynamic fed batch strategy for a Pichia pastoris mixed feed system to increase process understanding.

    PubMed

    Zalai, Dénes; Dietzsch, Christian; Herwig, Christoph; Spadiut, Oliver

    2012-01-01

    Mixed substrate feeding strategies are frequently investigated to enhance the productivity of recombinant Pichia pastoris processes. For this purpose, numerous fed batch experiments or time-consuming continuous cultivations are required to optimize control parameters such as the substrate mixing ratio and the applied methanol concentration. In this study, we decoupled the feeding of methanol and glycerol in a mixed substrate fed batch environment to gain process understanding for a recombinant P. pastoris Muts strain producing the model enzyme horseradish peroxidase. Specific substrate uptake rates (qs) were controlled separately, and a stepwise increased qGly-control scheme was applied to investigate the effect of various substrate fluxes on the culture. The qs-controlled strategy allowed a parallel characterization of the metabolism and the recombinant protein expression in a fed batch environment. A critical-specific glycerol uptake rate was determined, where a decline of the specific productivity occurred, and a time-dependent acceleration of protein expression was characterized with the dynamic fed batch approach. Based on the observations on recombinant protein expression, propositions for an optimal feeding design to target maximal productivities were stated. Thus, the dynamic fed batch strategy was found to be a valuable tool for both process understanding and optimization of product formation for P. pastoris in a mixed substrate environment. PMID:22505140

  17. The painkiller for batch control headaches

    SciTech Connect

    Haxthausen, N.

    1995-10-01

    The world of batch control is a complicated one, containing many of the issues common to continuous processes, as well as such concerns as complex sequential control, product variation, dynamic scheduling and lot tracking. Many different and poorly structured approaches have been taken to these problems, and communication between vendors and users has been troublesome. The newly defined ISA standard, ``SP88, Part 1: Batch Control Terminology,`` brings a large degree of order to the batch control process. SP88 provides definitions of many of the common elements of batch process equipment and recipe steps. In addition, it provides a methodology for logically arranging batch process control, so that the process is understandable and, most importantly, verifiable. Part 1 of this article introduces the important terms and concepts of SP88 along with recommendations for their implementation. In Part 2, a method is proposed to streamline the process of designing and constructing batch manufacturing facilities.

  18. Thermodynamics. II - The extended thermodynamic system

    NASA Technical Reports Server (NTRS)

    Zeleznik, F. J.

    1981-01-01

    The algebraic theory of thermodynamics developed in a previous paper is extended to include the algebraic structure that arises from the introduction of a physical body into the theory. The extension is based on very general definitions of both the thermodynamic states of a body and subsystems of that body. The algebraic analysis, which includes bodies in nonuniform states, shows that the set of all thermodynamic states of a body has the same algebraic structure as the set of thermodynamic states and that composite systems are induced by the algebraic structure of thermodynamic states. The analysis also justifies a variational treatment of thermodynamic bodies in uniform as well as nonuniform states. The variational calculation includes all conventional methods of calculation as special cases and helps to illuminate the origin and interpretation of the electrochemical potential.

  19. Adding coal dust to coal batch

    SciTech Connect

    V.S. Shved; A.V.Berezin

    2009-05-15

    The granulometric composition of coke dust from the dry-slaking machine is determined. The influence of additions of 3-7% coke dust on the quality of industrial coking batch and the coke obtained by box coking is estimated. Adding 1% coke dust to coking batch does not markedly change the coke quality. Industrial equipment for the supply of dry-slaking dust to the batch is described.

  20. Kinetics studies of uranium sorption by powdered corn cob in batch and fixed bed system

    PubMed Central

    Mahmoud, Mohamed A.

    2015-01-01

    Sorption of uranium (VI) from aqueous solution onto powdered corn cob has been carried out using batch and fixed-bed technique. The experimental results in batch technique were fitted well with pseudo second-order kinetics model. In the fixed bed technique, Thomas and Bohart–Adams models were evaluated by linear regression analysis for U(VI) uptake in different flow rates, bed heights and initial concentrations. The column experimental data were fitted well with Thomas mode (r2 = 0.999), but the Bohart–Adams model (r2 = 0.911), predicted poor performance of fixed-bed column. PMID:26843973

  1. Plutonium immobilization feed batching system concept report

    SciTech Connect

    Erickson, S.

    2000-07-19

    The Plutonium Immobilization Facility will encapsulate plutonium in ceramic pucks and seal the pucks inside welded cans. Remote equipment will place these cans in magazines and the magazines in a Defense Waste Processing Facility (DWPF) canister. The DWPF will fill the canister with high level waste glass for permanent storage. Feed batching is one of the first process steps involved with first stage plutonium immobilization. It will blend plutonium oxide powder before it is combined with other materials to make pucks. This report discusses the Plutonium Immobilization feed batching process preliminary concept, batch splitting concepts, and includes a process block diagram, concept descriptions, a preliminary equipment list, and feed batching development areas.

  2. Measuring Thermodynamic Length

    SciTech Connect

    Crooks, Gavin E

    2007-09-07

    Thermodynamic length is a metric distance between equilibrium thermodynamic states. Among other interesting properties, this metric asymptotically bounds the dissipation induced by a finite time transformation of a thermodynamic system. It is also connected to the Jensen-Shannon divergence, Fisher information, and Rao's entropy differential metric. Therefore, thermodynamic length is of central interestin understanding matter out of equilibrium. In this Letter, we will consider how to denethermodynamic length for a small system described by equilibrium statistical mechanics and how to measure thermodynamic length within a computer simulation. Surprisingly, Bennett's classic acceptance ratio method for measuring free energy differences also measures thermodynamic length.

  3. Method and apparatus for melting glass batch

    DOEpatents

    Fassbender, Alexander G.; Walkup, Paul C.; Mudge, Lyle K.

    1988-01-01

    A glass melting system involving preheating, precalcining, and prefluxing of batch materials prior to injection into a glass furnace. The precursors are heated by convection rather than by radiation in present furnaces. Upon injection into the furnace, batch materials are intimately coated with molten flux so as to undergo or at least begin the process of dissolution reaction prior to entering the melt pool.

  4. Computer Batch Files Shorten Many Complicated Procedures.

    ERIC Educational Resources Information Center

    Deppa, Joan

    1987-01-01

    Defines "batch files," claiming that they can shorten many complicated computer procedures. Describes how batch file was created using the computer program "PC-Write" to streamline the process of creating a work disk and increase students' computer literacy. Lists and discusses each element in the file. Provides references for more information.…

  5. Batch Scheduling a Fresh Approach

    NASA Technical Reports Server (NTRS)

    Cardo, Nicholas P.; Woodrow, Thomas (Technical Monitor)

    1994-01-01

    The Network Queueing System (NQS) was designed to schedule jobs based on limits within queues. As systems obtain more memory, the number of queues increased to take advantage of the added memory resource. The problem now becomes too many queues. Having a large number of queues provides users with the capability to gain an unfair advantage over other users by tailoring their job to fit in an empty queue. Additionally, the large number of queues becomes confusing to the user community. The High Speed Processors group at the Numerical Aerodynamics Simulation (NAS) Facility at NASA Ames Research Center developed a new approach to batch job scheduling. This new method reduces the number of queues required by eliminating the need for queues based on resource limits. The scheduler examines each request for necessary resources before initiating the job. Also additional user limits at the complex level were added to provide a fairness to all users. Additional tools which include user job reordering are under development to work with the new scheduler. This paper discusses the objectives, design and implementation results of this new scheduler

  6. 27 CFR 19.748 - Dump/batch records.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Dump/batch records. 19.748.../batch records. (a) Format of dump/batch records. Proprietor's dump/batch records shall contain, as... ingredients used; (10) Formula number; (11) Quantity of ingredients used in the batch that have...

  7. Thermal Analysis of Waste Glass Batches: Effect of Batch Makeup on Gas-Evolving Reactions

    SciTech Connect

    Pierce, David A.; Hrma, Pavel R.; Marcial, Jose

    2013-01-21

    Batches made with a variety of precursors were subjected to thermo-gravimetric analysis. The baseline modifications included all-nitrate batch with sucrose addition, all-carbonate batch, and batches with different sources of alumina. All batches were formulated for a single glass composition (a vitrified simulated high-alumina high-level waste). Batch samples were heated from the ambient temperature to 1200°C at constant heating rates ranging from 1 K/min to 50 K/min. Major gas evolving reactions began at temperatures just above 100°C and were virtually complete by 650°C. Activation energies for major reactions were obtained with the Kissinger’s method. A rough model for the overall kinetics of the batch-conversion was developed to be eventually applied to a mathematical model of the cold cap.

  8. Thermodynamics: Frontiers and Foundations.

    SciTech Connect

    JEFFERY,; LEWINS, D.

    2009-07-27

    Version 00 Dr. J.D. Lewins has now released the following new book for free distribution: Thermodynamics: Frontiers and Foundations, Preface by Sir Alan Cottrell Introduction 1. Four-Square Foundations: The Laws of Thermodynamics 2. Maximum Entropy and Minimum Energy: The Master Functions and Equations 3. Ideal Gases and their Applications 4. Real Fluids and Some Applications 5. Van der Waals: A Model for Real Fluids 6. Surface Tension: Bubbles and Drops 7. Inert and Reactive Mixtures; An introduction to Chemical Thermodynamics 8. Radiation Thermodynamics: Solar Power Potential 9. Outposts of the Empire 10. A Glimpse into Statistical Thermodynamics Envoi

  9. Thermodynamics: Frontiers and Foundations.

    Energy Science and Technology Software Center (ESTSC)

    2009-07-27

    Version 00 Dr. J.D. Lewins has now released the following new book for free distribution: Thermodynamics: Frontiers and Foundations, Preface by Sir Alan Cottrell Introduction 1. Four-Square Foundations: The Laws of Thermodynamics 2. Maximum Entropy and Minimum Energy: The Master Functions and Equations 3. Ideal Gases and their Applications 4. Real Fluids and Some Applications 5. Van der Waals: A Model for Real Fluids 6. Surface Tension: Bubbles and Drops 7. Inert and Reactive Mixtures;more » An introduction to Chemical Thermodynamics 8. Radiation Thermodynamics: Solar Power Potential 9. Outposts of the Empire 10. A Glimpse into Statistical Thermodynamics Envoi« less

  10. Batch gravitational sedimentation of slurries.

    PubMed

    Chu, C P; Ju, S P; Lee, D J; Mohanty, K K

    2002-01-01

    We investigated the batch settling behavior of the kaolin slurry and the UK ball clay slurry at various initial solids fractions (phi(0)s) using a computerized axial tomography scanner (CATSCAN). The spatio-temporal evolutions of solids fractions in the consolidating sediments were continuously monitored. Since the interface between the sediment and the supernatant of the investigated slurries was blurred, an averaging procedure was employed to estimate their null-stress solids fractions (phi(g)s). Besides the rather slow settling for the high-phi(0) slurries, the basic settling characteristics resemble each other regardless of whether phi(0)>phi(g) or vice versa. The above-mentioned experimental data reveal that the investigated slurries are neither purely elastic nor purely plastic in rheological behavior. On contrary to most model works a blurred supernatant-sediment interface makes difficulty in the gel point determination. During initial settling the high-phi(0) slurries clearly exhibit a finite yield stress to resist deformation. That is, the slurries are plastic fluids. However, the network structure in the slurries deteriorates gradually in the subsequent settling stage while the final, equilibrated sediment reveals a continuous distribution in solids fraction. Restated, the final sediment possesses as a purely elastic characteristic. The model parameters of theory by Buscall and White were regressed by the dynamic consolidating sediment data, while those by Tiller and Leu were obtained using the final equilibrated sediment data. Calculations from both models reveal that ball clay slurry is more compressible than is the kaolin slurry. The high-phi(S0) slurry would yield the less compressible sediment. PMID:16290348

  11. Batch Proving and Proof Scripting in PVS

    NASA Technical Reports Server (NTRS)

    Munoz, Cesar A.

    2007-01-01

    The batch execution modes of PVS are powerful, but highly technical, features of the system that are mostly accessible to expert users. This paper presents a PVS tool, called ProofLite, that extends the theorem prover interface with a batch proving utility and a proof scripting notation. ProofLite enables a semi-literate proving style where specification and proof scripts reside in the same file. The goal of ProofLite is to provide batch proving and proof scripting capabilities to regular, non-expert, users of PVS.

  12. Selenium Uptake and Volatilization by Marine Algae

    NASA Astrophysics Data System (ADS)

    Luxem, Katja E.; Vriens, Bas; Wagner, Bettina; Behra, Renata; Winkel, Lenny H. E.

    2015-04-01

    Selenium (Se) is an essential trace nutrient for humans. An estimated one half to one billion people worldwide suffer from Se deficiency, which is due to low concentrations and bioavailability of Se in soils where crops are grown. It has been hypothesized that more than half of the atmospheric Se deposition to soils is derived from the marine system, where microorganisms methylate and volatilize Se. Based on model results from the late 1980s, the atmospheric flux of these biogenic volatile Se compounds is around 9 Gt/year, with two thirds coming from the marine biosphere. Algae, fungi, and bacteria are known to methylate Se. Although algal Se uptake, metabolism, and methylation influence the speciation and bioavailability of Se in the oceans, these processes have not been quantified under environmentally relevant conditions and are likely to differ among organisms. Therefore, we are investigating the uptake and methylation of the two main inorganic Se species (selenate and selenite) by three globally relevant microalgae: Phaeocystis globosa, the coccolithophorid Emiliania huxleyi, and the diatom Thalassiosira oceanica. Selenium uptake and methylation were quantified in a batch experiment, where parallel gas-tight microcosms in a climate chamber were coupled to a gas-trapping system. For E. huxleyi, selenite uptake was strongly dependent on aqueous phosphate concentrations, which agrees with prior evidence that selenite uptake by phosphate transporters is a significant Se source for marine algae. Selenate uptake was much lower than selenite uptake. The most important volatile Se compounds produced were dimethyl selenide, dimethyl diselenide, and dimethyl selenyl sulfide. Production rates of volatile Se species were larger with increasing intracellular Se concentration and in the decline phase of the alga. Similar experiments are being carried out with P. globosa and T. oceanica. Our results indicate that marine algae are important for the global cycling of Se

  13. Growth and Nitrogen Uptake Kinetics in Cultured Prorocentrum donghaiense

    PubMed Central

    Hu, Zhangxi; Duan, Shunshan; Xu, Ning; Mulholland, Margaret R.

    2014-01-01

    We compared growth kinetics of Prorocentrum donghaiense cultures on different nitrogen (N) compounds including nitrate (NO3−), ammonium (NH4+), urea, glutamic acid (glu), dialanine (diala) and cyanate. P. donghaiense exhibited standard Monod-type growth kinetics over a range of N concentraions (0.5–500 μmol N L−1 for NO3− and NH4+, 0.5–50 μmol N L−1 for urea, 0.5–100 μmol N L−1 for glu and cyanate, and 0.5–200 μmol N L−1 for diala) for all of the N compounds tested. Cultures grown on glu and urea had the highest maximum growth rates (μm, 1.51±0.06 d−1 and 1.50±0.05 d−1, respectively). However, cultures grown on cyanate, NO3−, and NH4+ had lower half saturation constants (Kμ, 0.28–0.51 μmol N L−1). N uptake kinetics were measured in NO3−-deplete and -replete batch cultures of P. donghaiense. In NO3−-deplete batch cultures, P. donghaiense exhibited Michaelis-Menten type uptake kinetics for NO3−, NH4+, urea and algal amino acids; uptake was saturated at or below 50 μmol N L−1. In NO3−-replete batch cultures, NH4+, urea, and algal amino acid uptake kinetics were similar to those measured in NO3−-deplete batch cultures. Together, our results demonstrate that P. donghaiense can grow well on a variety of N sources, and exhibits similar uptake kinetics under both nutrient replete and deplete conditions. This may be an important factor facilitating their growth during bloom initiation and development in N-enriched estuaries where many algae compete for bioavailable N and the nutrient environment changes as a result of algal growth. PMID:24710151

  14. Iodide interactions with clay minerals: Batch and diffusion studies

    NASA Astrophysics Data System (ADS)

    Miller, A. W.; Kruichak, J.; Mills, M.; Wang, Y.

    2012-12-01

    Clay minerals are likely candidates to aid in nuclear waste isolation due to their low permeability, favorable swelling properties, and high cation sorption capacities. Iodine-129 is often the major driver of exposure risk from nuclear waste repositories at timescales >10,000 years. Therefore, understanding the geochemical cycling of iodine in clays is critical in developing defensible quantitative descriptions of nuclear waste disposal. Anions are not typically considered to interact with most clays as it is assumed that the fixed negative charge of clays actively repels the dissoloved anion. This is corroborated by many batch studies, but diffusion experiments in compacted clays have shown iodide retardation relative to chloride. The reasons for this are unknown; however, several possible hypotheses include: redox transformation controls on sorption behavior, complex surface charge environments due to overlapping charge domains, and sorption to ancillary minerals or weathering products. Seven different clay minerals have been examined using several techniques to chracterize the surface charge environment and iodide uptake. The use of a series of clays shifts the independent variable away from water chemistry characteristics (pH, contaminant concentration), and toward structural characterisitics of clay minerals including isomorphous substitution and clay texture. Iodide uptake batch experiments were completed with the clay minerals in a range of swamping electrolytes. The results give evidence for a novel uptake mechanism involving ion pair formation and iodide concentration within nano-confined environments. These results were further tested using diffusional columns where nano-confined regimes make up a larger proportion of the total porosity. These columns were compacted to different hydrostatic pressures and saturated with different ionic compositions. Porosity distributions were characterized with a fluoride tracer. Iodide diffusion characteristics were

  15. Polyhydroxyalkanoates form potentially a key aspect of aerobic phosphorus uptake in enhanced biological phosphorus removal.

    PubMed

    Randall, Andrew Amis; Liu, Yan-Hua

    2002-08-01

    Eighteen anaerobic/aerobic batch experiments were conducted with a variety of volatile fatty acids (VFAs) on a sequencing batch reactor (SBR) population displaying enhanced biological phosphorus removal (EBPR). A statistically significant (P < 0.01 for all variables) correlation between aerobic phosphorus uptake and polyhydroxyalkanoates (PHAs) quantity and form was observed. The results suggest that poly-3-hydroxy-butyrate (3HB) results in significantly higher aerobic phosphorus (P) uptake per unit mmoles as carbon (mmoles-C) than poly-3-hydroxy-valerate (3HV). The results showed that acetic and isovaleric acids resulted in higher P removals (relative to propionic and valeric acids) during EBPR batch experiments not because of higher PHAs quantity, but largely because the predominant type was 3HB rather than 3HV. In contrast propionic and valeric acids resulted in 3HV, and showed much lower aerobic P uptake per unit PHAs. PMID:12230192

  16. 40 CFR 63.1408 - Aggregate batch vent stream provisions.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... from all aggregate batch vent streams in the compliance demonstration required for reactor batch... comply with the mass emission limit for reactor batch process vents. ... 40 Protection of Environment 11 2010-07-01 2010-07-01 true Aggregate batch vent stream...

  17. A Batch Feeder for Inhomogeneous Bulk Materials

    NASA Astrophysics Data System (ADS)

    Vislov, I. S.; Kladiev, S. N.; Slobodyan, S. M.; Bogdan, A. M.

    2016-04-01

    The work includes the mechanical analysis of mechanical feeders and batchers that find application in various technological processes and industrial fields. Feeders are usually classified according to their design features into two groups: conveyor-type feeders and non-conveyor feeders. Batchers are used to batch solid bulk materials. Less frequently, they are used for liquids. In terms of a batching method, they are divided into volumetric and weighting batchers. Weighting batchers do not provide for sufficient batching accuracy. Automatic weighting batchers include a mass controlling sensor and systems for automatic material feed and automatic mass discharge control. In terms of operating principle, batchers are divided into gravitational batchers and batchers with forced feed of material using conveyors and pumps. Improved consumption of raw materials, decreased loss of materials, ease of use in automatic control systems of industrial facilities allows increasing the quality of technological processes and improve labor conditions. The batch feeder suggested by the authors is a volumetric batcher that has no comparable counterparts among conveyor-type feeders and allows solving the problem of targeted feeding of bulk material batches increasing reliability and hermeticity of the device.

  18. Thermodynamics and combustion modeling

    NASA Technical Reports Server (NTRS)

    Zeleznik, Frank J.

    1986-01-01

    Modeling fluid phase phenomena blends the conservation equations of continuum mechanics with the property equations of thermodynamics. The thermodynamic contribution becomes especially important when the phenomena involve chemical reactions as they do in combustion systems. The successful study of combustion processes requires (1) the availability of accurate thermodynamic properties for both the reactants and the products of reaction and (2) the computational capabilities to use the properties. A discussion is given of some aspects of the problem of estimating accurate thermodynamic properties both for reactants and products of reaction. Also, some examples of the use of thermodynamic properties for modeling chemically reacting systems are presented. These examples include one-dimensional flow systems and the internal combustion engine.

  19. Kinetics of enzymatic hydrolysis of olive oil in batch and fed-batch systems.

    PubMed

    Cabral, Paloma Souza; Filho, Arion Zandoná; Voll, Fernando Augusto Pedersen; Corazza, Marcos Lúcio

    2014-07-01

    This work reports experimental data, kinetic modeling, and simulations of enzyme-catalyzed hydrolysis of olive oil. This reaction was performed in batch system and an ordered-sequential Bi Bi model was used to model the kinetic mechanism. A fed-batch system was proposed and experimental data were obtained and compared to the simulated values. The kinetic model used was able to correlate the experimental data, in which a satisfactory agreement between the experimental data and modeling results was obtained under different enzyme concentration and initial free water content. Therefore, the modeling allowed a better understanding of the reaction kinetics and affords a fed-batch simulation for this system. From the results obtained, it was observed that the fed-batch approach showed to be more advantageous when compared to the conventional batch system. PMID:24793196

  20. Quality and Batch-to-Batch Consistency of Original and Biosimilar Epoetin Products.

    PubMed

    Halim, Liem Andhyk; Brinks, Vera; Jiskoot, Wim; Romeijn, Stefan; Haselberg, Rob; Burns, Chris; Wadhwa, Meenu; Schellekens, Huub

    2016-02-01

    Comprehensive physicochemical characterization and biological assays are essential parts in assessing quality attributes of biologicals. Here, we compared the quality of different marketed recombinant human erythropoietin (epoetin) products: originators, Eprex and NeoRecormon as well as 2 biosimilars, Retacrit and Binocrit. In addition, assessment of batch-to-batch variability was included by collecting 2 or more batches of each product. Common assays which included sodium dodecyl sulfate-polyacrylamide gel electrophoresis, high-performance size-exclusion chromatography, asymmetrical flow field-flow fractionation, capillary zone electrophoresis, and potency testing were used. Of the tested products and among batches of single products, variations in epoetin content, isoform profiles, and potency were found. Ultimately, this study demonstrated the high quality of epoetin products with some degree of variation among products and batches, confirming the "similar but not identical" paradigm of biologicals. PMID:26869417

  1. Thermodynamic estimation: Ionic materials

    SciTech Connect

    Glasser, Leslie

    2013-10-15

    Thermodynamics establishes equilibrium relations among thermodynamic parameters (“properties”) and delineates the effects of variation of the thermodynamic functions (typically temperature and pressure) on those parameters. However, classical thermodynamics does not provide values for the necessary thermodynamic properties, which must be established by extra-thermodynamic means such as experiment, theoretical calculation, or empirical estimation. While many values may be found in the numerous collected tables in the literature, these are necessarily incomplete because either the experimental measurements have not been made or the materials may be hypothetical. The current paper presents a number of simple and relible estimation methods for thermodynamic properties, principally for ionic materials. The results may also be used as a check for obvious errors in published values. The estimation methods described are typically based on addition of properties of individual ions, or sums of properties of neutral ion groups (such as “double” salts, in the Simple Salt Approximation), or based upon correlations such as with formula unit volumes (Volume-Based Thermodynamics). - Graphical abstract: Thermodynamic properties of ionic materials may be readily estimated by summation of the properties of individual ions, by summation of the properties of ‘double salts’, and by correlation with formula volume. Such estimates may fill gaps in the literature, and may also be used as checks of published values. This simplicity arises from exploitation of the fact that repulsive energy terms are of short range and very similar across materials, while coulombic interactions provide a very large component of the attractive energy in ionic systems. Display Omitted - Highlights: • Estimation methods for thermodynamic properties of ionic materials are introduced. • Methods are based on summation of single ions, multiple salts, and correlations. • Heat capacity, entropy

  2. Sample displacement batch chromatography of proteins.

    PubMed

    Kotasinska, Marta; Richter, Verena; Kwiatkowski, Marcel; Schlüter, Hartmut

    2014-01-01

    In downstream processing large scale chromatography plays an important role. For its development screening experiments followed by pilot plant chromatography are mandatory steps. Here we describe fast, simple, and inexpensive methods for establishing a preparative chromatography for the separation of complex protein mixtures, based on sample displacement batch chromatography. The methods are demonstrated by anion-exchange chromatography of a human plasma protein fraction (Cohn IV-4), including the screening step and scaling up of the chromatography by a factor of 100. The results of the screening experiments and the preparative chromatography are monitored by SDS-PAGE electrophoresis. In summary we provide a protocol which should be easily adaptable for the chromatographic large scale purification of other proteins, in the laboratory as well as in industry for commercial manufacturing. For the latter these protocols cover the initial piloting steps for establishing a sample batch chromatography based on packed columns rather than batch chromatography. PMID:24648085

  3. Equilibrium uptake, sorption dynamics, process optimization, and column operations for the removal and recovery of malachite green from wastewater using activated carbon and activated slag

    SciTech Connect

    Gupta, V.K.; Srivastava, S.K.; Mohan, D.

    1997-06-01

    The waste slurry generated in fertilizer plants and slag (blast furnace waste) have been converted into low-cost adsorbents, activated carbon and activated slag, respectively, and these are utilized for the removal of malachite green (a basic dye) from wastewater. In the batch experiments, parameters studied include the effect of pH, sorbent dosage, adsorbate concentration, temperature, and contact time. Kinetic studies have been performed to have an idea of the mechanistic aspects and to obtain the thermodynamic parameters of the process. The uptake of the dye is greater on carbonaceous material than on activated slag. Sorption data have been correlated with both Langmuir and Freundlich adsorption models. The presence of anionic surfactants does not affect the uptake of dye significantly. The mass transfer kinetic approach has been applied for the determination of various parameters necessary for the designing of fixed-bed contactors. Chemical regeneration has been achieved with acetone in order to recover the loaded dye and restore the column to its original capacity without dismantling the same.

  4. Production of nattokinase by batch and fed-batch culture of Bacillus subtilis.

    PubMed

    Cho, Young-Han; Song, Jae Yong; Kim, Kyung Mi; Kim, Mi Kyoung; Lee, In Young; Kim, Sang Bum; Kim, Hyeon Shup; Han, Nam Soo; Lee, Bong Hee; Kim, Beom Soo

    2010-09-30

    Nattokinase was produced by batch and fed-batch culture of Bacillus subtilis in flask and fermentor. Effect of supplementing complex media (peptone, yeast extract, or tryptone) was investigated on the production of nattokinase. In flask culture, the highest cell growth and nattokinase activity were obtained with 50 g/L of peptone supplementation. In this condition, nattokinase activity was 630 unit/ml at 12 h. In batch culture of B. subtilis in fermentor, the highest nattokinase activity of 3400 unit/ml was obtained at 10h with 50 g/L of peptone supplementation. From the batch kinetics data, it was shown that nattokinase production was growth-associated and culture should be harvested before stationary phase for maximum nattokinase production. In fed-batch culture of B. subtilis using pH-stat feeding strategy, cell growth (optical density monitored at 600 nm) increased to ca. 100 at 22 h, which was 2.5 times higher than that in batch culture. The highest nattokinase activity was 7100 unit/ml at 19 h, which was also 2.1 times higher than that in batch culture. PMID:20541632

  5. JOB BUILDER remote batch processing subsystem

    NASA Technical Reports Server (NTRS)

    Orlov, I. G.; Orlova, T. L.

    1980-01-01

    The functions of the JOB BUILDER remote batch processing subsystem are described. Instructions are given for using it as a component of a display system developed by personnel of the System Programming Laboratory, Institute of Space Research, USSR Academy of Sciences.

  6. RLIN Product Batch: Fundamental Design Concepts.

    ERIC Educational Resources Information Center

    Crawford, Walt

    1984-01-01

    Considers fundamental decisions that shaped the output products of Research Libraries Information Network. Product Batch was designed using single data definition (RMARC) combined with standard PL/I, modular programing techniques, program documentation. Choice of software and programing languages, other design aspects (accountability, count…

  7. Uptake Mechanism for Iodine Species to Black Carbon

    SciTech Connect

    Choung, Sungwook; Um, Wooyong; Kim, Min Kyung; Kim, Min-Gyu

    2013-08-13

    Natural organic matter (NOM) plays an important role in determining the fate and transport of iodine species such as iodide (I-) and iodate (IO3-) in groundwater system. Although NOM exists as diverse forms in environments, prior iodine studies have mainly focused on uptake processes of iodide and iodate to humic materials. This study was conducted to determine the iodide and iodate uptake potential for a particulate NOM (i.e., black carbon [BC]). A laboratory-produced BC and commercial humic acid were used for batch experiments to compare their iodine uptake properties. The BC exhibited >100 times greater uptake capability for iodide than iodate at low pH~3, while iodide uptake was negligible for the humic acid. The uptake properties of both solids strongly depend on the initial iodine aqueous concentrations. After uptake reaction of iodide to the BC, X-ray Absorption Fine Structure spectroscopy results indicated that the iodide was converted to electrophilic species, and iodine was covalently bound to carbon atom in polycyclic aromatic hydrocarbons present in the BC. The computed distribution coefficients (i.e., Kd values) suggest that the BC materials retard significantly the transport of iodide at low pH in environmental systems containing even a small amount of BC.

  8. Uptake As Language Awareness.

    ERIC Educational Resources Information Center

    Ellis, Rod

    1995-01-01

    Investigates the sincerity and validity of uptake as a measure of language learning by comparing the words students report they have learned after completing a listening task with the words they score correctly on a translation test. Results indicate that whereas uptake may have construct validity, its concurrent validity is uncertain. (16…

  9. The Thermodynamics of Portfolios

    NASA Astrophysics Data System (ADS)

    Piotrowski, E. W.; Sladkowski, J.

    2001-02-01

    We propose a new method of valuation of portfolios and their respective investing strategies. To this end we define a canonical ensemble of portfolios that allows to use the formalism of thermodynamics.

  10. Thermodynamics: A Stirling effort

    NASA Astrophysics Data System (ADS)

    Horowitz, Jordan M.; Parrondo, Juan M. R.

    2012-02-01

    The realization of a single-particle Stirling engine pushes thermodynamics into stochastic territory where fluctuations dominate, and points towards a better understanding of energy transduction at the microscale.

  11. Electrochemical thermodynamic measurement system

    DOEpatents

    Reynier, Yvan; Yazami, Rachid; Fultz, Brent T.

    2009-09-29

    The present invention provides systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and electrochemical energy storage and conversion systems. Systems and methods of the present invention are configured for simultaneously collecting a suite of measurements characterizing a plurality of interconnected electrochemical and thermodynamic parameters relating to the electrode reaction state of advancement, voltage and temperature. Enhanced sensitivity provided by the present methods and systems combined with measurement conditions that reflect thermodynamically stabilized electrode conditions allow very accurate measurement of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and electrochemical systems, such as the energy, power density, current rate and the cycle life of an electrochemical cell.

  12. Thermodynamics and Frozen Foods.

    ERIC Educational Resources Information Center

    Kerr, William L.; Reid, David S.

    1993-01-01

    The heat content of a food at a given temperature can be described by the thermodynamic property of enthalpy. Presents a method to construct a simple calorimeter for measuring the enthalpy changes of different foods during freezing. (MDH)

  13. Thermodynamics of Bioreactions.

    PubMed

    Held, Christoph; Sadowski, Gabriele

    2016-06-01

    Thermodynamic principles have been applied to enzyme-catalyzed reactions since the beginning of the 1930s in an attempt to understand metabolic pathways. Currently, thermodynamics is also applied to the design and analysis of biotechnological processes. The key thermodynamic quantity is the Gibbs energy of reaction, which must be negative for a reaction to occur spontaneously. However, the application of thermodynamic feasibility studies sometimes yields positive Gibbs energies of reaction even for reactions that are known to occur spontaneously, such as glycolysis. This article reviews the application of thermodynamics in enzyme-catalyzed reactions. It summarizes the basic thermodynamic relationships used for describing the Gibbs energy of reaction and also refers to the nonuniform application of these relationships in the literature. The review summarizes state-of-the-art approaches that describe the influence of temperature, pH, electrolytes, solvents, and concentrations of reacting agents on the Gibbs energy of reaction and, therefore, on the feasibility and yield of biological reactions. PMID:27276551

  14. Kinetics of steel slag leaching: Batch tests and modeling.

    PubMed

    De Windt, Laurent; Chaurand, Perrine; Rose, Jerome

    2011-02-01

    Reusing steel slag as an aggregate for road construction requires to characterize the leaching kinetics and metal releases. In this study, basic oxygen furnace (BOF) steel slag were subjected to batch leaching tests at liquid to solid ratios (L/S) of 10 and 100 over 30 days; the leachate chemistry being regularly sampled in time. A geochemical model of the steel slag is developed and validated from experimental data, particularly the evolution with leaching of mineralogical composition of the slag and trace element speciation. Kinetics is necessary for modeling the primary phase leaching, whereas a simple thermodynamic equilibrium approach can be used for secondary phase precipitation. The proposed model simulates the kinetically-controlled dissolution (hydrolysis) of primary phases, the precipitation of secondary phases (C-S-H, hydroxide and spinel), the pH and redox conditions, and the progressive release of major elements as well as the metals Cr and V. Modeling indicates that the dilution effect of the L/S ratio is often coupled to solubility-controlled processes, which are sensitive to both the pH and the redox potential. A sensitivity analysis of kinetic uncertainties on the modeling of element releases is performed. PMID:20646922

  15. Production of fructosyltransferase by Aureobasidium sp. ATCC 20524 in batch and two-step batch cultures.

    PubMed

    Salinas, Martín A; Perotti, Nora I

    2009-01-01

    A comparison of fructosyltransferase (EC 2.4.1.9) production by Aureobasidium sp. ATCC 20524 in batch and two step batch cultures was investigated in a 1-l stirred tank reactor using a sucrose supply of 200 g/l. Results showed that the innovative cultivation in two step of Aureobasidium sp. produced more fructosyltransferase (FFase) than the single batch culture at the same sucrose concentration with a maximal enzyme production of 523 U/ml, which was 80.5% higher than the one obtained in the batch culture. The production of fructooligosaccharides (FOSs) was also analyzed; their concentration reached a maximum value of 160 g/l the first day in the two-step culture and 127 g/l in the single-batch mode. The use of the two-step batch culture with Aureobasidium sp. ATCC 20524 in allowing the microorganism to grow up prior to the induction of sucrose (second step), proved to be a powerful method for producing fructosyltransferase and FOSs. PMID:18810518

  16. Batch and fed-batch fermentation of Bacillus thuringiensis using starch industry wastewater as fermentation substrate.

    PubMed

    Vu, Khanh Dang; Tyagi, Rajeshwar Dayal; Valéro, José R; Surampalli, Rao Y

    2010-08-01

    Bacillus thuringiensis var. kurstaki biopesticide was produced in batch and fed-batch fermentation modes using starch industry wastewater as sole substrate. Fed-batch fermentation with two intermittent feeds (at 10 and 20 h) during the fermentation of 72 h gave the maximum delta-endotoxin concentration (1,672.6 mg/L) and entomotoxicity (Tx) (18.5 x 10(6) SBU/mL) in fermented broth which were significantly higher than maximum delta-endotoxin concentration (511.0 mg/L) and Tx (15.8 x 10(6) SBU/mL) obtained in batch process. However, fed-batch fermentation with three intermittent feeds (at 10, 20 and 34 h) of the fermentation resulted in the formation of asporogenous variant (Spo-) from 36 h to the end of fermentation (72 h) which resulted in a significant decrease in spore and delta-endotoxin concentration and finally the Tx value. Tx of suspended pellets (27.4 x 10(6) SBU/mL) obtained in fed-batch fermentation with two feeds was the highest value as compared to other cases. PMID:19888605

  17. Adsorption of Zn2+ ions onto NaA and NaX zeolites: kinetic, equilibrium and thermodynamic studies.

    PubMed

    Nibou, D; Mekatel, H; Amokrane, S; Barkat, M; Trari, M

    2010-01-15

    The adsorption of Zn(2+) onto NaA and NaX zeolites was investigated. The samples were synthesized according to a hydrothermal crystallization using aluminium isopropoxide (Al[OCH(CH(3))(2)](3)) as a new alumina source. The effects of pH, initial concentration, solid/liquid ratio and temperature were studied in batch experiments. The Freundlich and the Langmuir models were applied and the adsorption equilibrium followed Langmuir adsorption isotherm. The uptake distribution coefficient (K(d)) indicated that the Zn(2+) removal was the highest at minimum concentration. Thermodynamic parameters were calculated. The negative values of standard enthalpy of adsorption revealed the exothermic nature of the adsorption process whereas the negative activation entropies reflected that no significant change occurs in the internal structure of the zeolites solid matrix during the sorption of Zn(2+). The negative values of Gibbs free energy were indicative of the spontaneity of the adsorption process. Analysis of the kinetic and rate data revealed that the pseudo second-order sorption mechanism is predominant and the intra particle diffusion was the determining step for the sorption of zinc ions. The obtained optimal parameters have been applied to wastewater from the industrial zone (Algeria) in order to remove the contained zinc effluents. PMID:19773115

  18. Use of sequential-batch fermentations to characterize the impact of mild hypothermic temperatures on the anaerobic stoichiometry and kinetics of Saccharomyces cerevisiae.

    PubMed

    Cruz, A L B; Verbon, A J; Geurink, L J; Verheijen, P J T; Heijnen, J J; van Gulik, W M

    2012-07-01

    This work presents a characterization of the stoichiometry and kinetics of anaerobic batch growth of Saccharomyces cerevisiae at cultivation temperatures between 12 and 30°C. To minimize the influence of the inoculum condition and ensure full adaptation to the cultivation temperature, the experiments were carried out in sequencing batch reactors. It was observed that the growth rate obtained in the first batch performed after each temperature shift was 10-30% different compared with the subsequent batches at the same temperature, which were much more reproducible. This indicates that the sequencing batch approach provides accurate and reproducible growth rate data. Data reconciliation was applied to the measured time patterns of substrate, biomass, carbon dioxide and byproducts with the constraint that the elemental conservation relations were satisfied, allowing to obtain consistent best estimates of all uptake and secretion rates. Subsequently, it was attempted to obtain an appropriate model description of the temperature dependency of these rates. It was found that the Ratkowsky model provided a better description of the temperature dependency of growth, uptake and secretion rates than the Arrhenius law. Most interesting was to find that most of the biomass-specific rates have the same temperature dependency, leading to a near temperature independent batch stoichiometry. PMID:22359245

  19. 21 CFR 80.38 - Treatment of batch after certification.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 1 2011-04-01 2011-04-01 false Treatment of batch after certification. 80.38... COLOR ADDITIVE CERTIFICATION Certification Procedures § 80.38 Treatment of batch after certification. (a... cosmetic....

  20. Using Forensics to Untangle Batch Effects in TCGA Data - TCGA

    Cancer.gov

    Rehan Akbani, Ph.D., and colleagues at the University of Texas MD Anderson Cancer Center developed a tool called MBatch to detect, diagnose, and correct batch effects in TCGA data. Read more about batch effects in this Case Study.

  1. A New Dynamic Accumulator for Batch Updates

    NASA Astrophysics Data System (ADS)

    Wang, Peishun; Wang, Huaxiong; Pieprzyk, Josef

    A dynamic accumulator is an algorithm, which gathers together a large set of elements into a constant-size value such that for a given element accumulated, there is a witness confirming that the element was indeed included into the value, with a property that accumulated elements can be dynamically added and deleted into/from the original set such that the cost of an addition or deletion operation is independent of the number of accumulated elements. Although the first accumulator was presented ten years ago, there is still no standard formal definition of accumulators. In this paper, we generalize formal definitions for accumulators, formulate a security game for dynamic accumulators so-called Chosen Element Attack (CEA), and propose a new dynamic accumulator for batch updates based on the Paillier cryptosystem. Our construction makes a batch of update operations at unit cost. We prove its security under the extended strong RSA (es-RSA) assumption.

  2. Job Scheduling Under the Portable Batch System

    NASA Technical Reports Server (NTRS)

    Henderson, Robert L.; Woodrow, Thomas S. (Technical Monitor)

    1995-01-01

    The typical batch queuing system schedules jobs for execution by a set of queue controls. The controls determine from which queues jobs may be selected. Within the queue, jobs are ordered first-in, first-run. This limits the set of scheduling policies available to a site. The Portable Batch System removes this limitation by providing an external scheduling module. This separate program has full knowledge of the available queued jobs, running jobs, and system resource usage. Sites are able to implement any policy expressible in one of several procedural language. Policies may range from "bet fit" to "fair share" to purely political. Scheduling decisions can be made over the full set of jobs regardless of queue or order. The scheduling policy can be changed to fit a wide variety of computing environments and scheduling goals. This is demonstrated by the use of PBS on an IBM SP-2 system at NASA Ames.

  3. Capacitated max -Batching with Interval Graph Compatibilities

    NASA Astrophysics Data System (ADS)

    Nonner, Tim

    We consider the problem of partitioning interval graphs into cliques of bounded size. Each interval has a weight, and the weight of a clique is the maximum weight of any interval in the clique. This natural graph problem can be interpreted as a batch scheduling problem. Solving a long-standing open problem, we show NP-hardness, even if the bound on the clique sizes is constant. Moreover, we give a PTAS based on a novel dynamic programming technique for this case.

  4. Radioactive iodine uptake

    MedlinePlus

    ... uptake may be due to: Factitious hyperthyroidism Iodine overload Subacute thyroiditis Silent (or painless) thyroiditis Amiodarone Risks ... to achieve this important distinction for online health information and services. Learn more about A.D.A. ...

  5. Analytical model of batch magnetophoretic separation

    NASA Astrophysics Data System (ADS)

    Kashevsky, S. B.; Kashevsky, B. E.

    2013-06-01

    Magnetophoresis (the motion of magnetic particles driven by the nonuniform magnetic field), that for a long time has been used for extracting magnetically susceptible objects in diverse industries, now attracts interest to develop more sophisticated microfluidic and batch techniques for separation and manipulation of biological particles, and magnetically assisted absorption and catalysis in organic chemistry, biochemistry, and petrochemistry. A deficiency of magnetic separation science is the lack of simple analytical models imitating real processes of magnetic separation. We have studied the motion of superparamagnetic (generally, soft magnetic) particles in liquid in the three-dimensional field of the diametrically polarized permanent cylindrical magnet; this geometry is basically representative of the batch separation mode. In the limit of the infinite-length magnet, we found the particle magnetophoresis proceeds independently of the magnet polarization direction, following the simple analytical relation incorporating all the relevant physical and geometrical parameters of the particle-magnet system. In experiments with a finite-length magnet we have shown applicability of the developed theory as to analyze the performance of the real batch separation systems in the noncooperative mode, and finally, we have presented an example of such analysis for the case of immunomagnetic cell separation and developed a criterion of the model limitation imposed by the magnetic aggregation of particles.

  6. 7 CFR 58.728 - Cooking the batch.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 3 2013-01-01 2013-01-01 false Cooking the batch. 58.728 Section 58.728 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the...

  7. 7 CFR 58.728 - Cooking the batch.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 3 2012-01-01 2012-01-01 false Cooking the batch. 58.728 Section 58.728 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the...

  8. 7 CFR 58.728 - Cooking the batch.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 3 2011-01-01 2011-01-01 false Cooking the batch. 58.728 Section 58.728 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the...

  9. 7 CFR 58.728 - Cooking the batch.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 3 2014-01-01 2014-01-01 false Cooking the batch. 58.728 Section 58.728 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the...

  10. 40 CFR 63.462 - Batch cold cleaning machine standards.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 9 2010-07-01 2010-07-01 false Batch cold cleaning machine standards... National Emission Standards for Halogenated Solvent Cleaning § 63.462 Batch cold cleaning machine standards. (a) Each owner or operator of an immersion batch cold solvent cleaning machine shall comply with...

  11. EMISSIONS REDUCTION OF COMMERCIAL GLASSMAKING USING SELECTIVE BATCHING

    EPA Science Inventory

    The vertical bubble populations of selectively batched melts were compared to the vertical bubble populations of conventionally batched melts. “Conventional” refers to the use of a powdered batch. Bubble position and diameter measurements were taken on 24 crucibles...

  12. 40 CFR 63.1406 - Reactor batch process vent provisions.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 12 2013-07-01 2013-07-01 false Reactor batch process vent provisions... Resins § 63.1406 Reactor batch process vent provisions. (a) Emission standards. Owners or operators of reactor batch process vents located at new or existing affected sources shall comply with paragraph...

  13. 40 CFR 63.1406 - Reactor batch process vent provisions.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 12 2012-07-01 2011-07-01 true Reactor batch process vent provisions... § 63.1406 Reactor batch process vent provisions. (a) Emission standards. Owners or operators of reactor... reactor batch process vent located at a new affected source shall control organic HAP emissions...

  14. 40 CFR 63.1406 - Reactor batch process vent provisions.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 11 2010-07-01 2010-07-01 true Reactor batch process vent provisions... § 63.1406 Reactor batch process vent provisions. (a) Emission standards. Owners or operators of reactor... reactor batch process vent located at a new affected source shall control organic HAP emissions...

  15. 40 CFR 63.1406 - Reactor batch process vent provisions.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 11 2011-07-01 2011-07-01 false Reactor batch process vent provisions... § 63.1406 Reactor batch process vent provisions. (a) Emission standards. Owners or operators of reactor... reactor batch process vent located at a new affected source shall control organic HAP emissions...

  16. 40 CFR 63.1406 - Reactor batch process vent provisions.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 12 2014-07-01 2014-07-01 false Reactor batch process vent provisions... Resins § 63.1406 Reactor batch process vent provisions. (a) Emission standards. Owners or operators of reactor batch process vents located at new or existing affected sources shall comply with paragraph...

  17. 40 CFR 63.462 - Batch cold cleaning machine standards.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 9 2011-07-01 2011-07-01 false Batch cold cleaning machine standards... National Emission Standards for Halogenated Solvent Cleaning § 63.462 Batch cold cleaning machine standards. (a) Each owner or operator of an immersion batch cold solvent cleaning machine shall comply with...

  18. 40 CFR 63.462 - Batch cold cleaning machine standards.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 10 2014-07-01 2014-07-01 false Batch cold cleaning machine standards... National Emission Standards for Halogenated Solvent Cleaning § 63.462 Batch cold cleaning machine standards. (a) Each owner or operator of an immersion batch cold solvent cleaning machine shall comply with...

  19. 40 CFR 63.462 - Batch cold cleaning machine standards.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 10 2013-07-01 2013-07-01 false Batch cold cleaning machine standards... National Emission Standards for Halogenated Solvent Cleaning § 63.462 Batch cold cleaning machine standards. (a) Each owner or operator of an immersion batch cold solvent cleaning machine shall comply with...

  20. 40 CFR 63.462 - Batch cold cleaning machine standards.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 10 2012-07-01 2012-07-01 false Batch cold cleaning machine standards... National Emission Standards for Halogenated Solvent Cleaning § 63.462 Batch cold cleaning machine standards. (a) Each owner or operator of an immersion batch cold solvent cleaning machine shall comply with...

  1. A Semi-Batch Reactor Experiment for the Undergraduate Laboratory

    ERIC Educational Resources Information Center

    Derevjanik, Mario; Badri, Solmaz; Barat, Robert

    2011-01-01

    This experiment and analysis offer an economic yet challenging semi-batch reactor experience. Household bleach is pumped at a controlled rate into a batch reactor containing pharmaceutical hydrogen peroxide solution. Batch temperature, product molecular oxygen, and the overall change in solution conductivity are metered. The reactor simulation…

  2. 21 CFR 80.38 - Treatment of batch after certification.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Treatment of batch after certification. 80.38... COLOR ADDITIVE CERTIFICATION Certification Procedures § 80.38 Treatment of batch after certification. (a) Immediately upon notification that a batch of color additive has been certified, the person...

  3. 21 CFR 80.37 - Treatment of batch pending certification.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Treatment of batch pending certification. 80.37... COLOR ADDITIVE CERTIFICATION Certification Procedures § 80.37 Treatment of batch pending certification. Immediately after the sample that is to accompany a request for certification of a batch of color additive...

  4. 40 CFR 63.1321 - Batch process vents provisions.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 11 2010-07-01 2010-07-01 true Batch process vents provisions. 63.1321... Standards for Hazardous Air Pollutant Emissions: Group IV Polymers and Resins § 63.1321 Batch process vents provisions. (a) Batch process vents. Except as specified in paragraphs (b) through (d) of this...

  5. Nondiffusive mechanisms enhance protein uptake rates in ion exchange particles

    PubMed Central

    Dziennik, S. R.; Belcher, E. B.; Barker, G. A.; DeBergalis, M. J.; Fernandez, S. E.; Lenhoff, A. M.

    2003-01-01

    Scanning confocal fluorescence microscopy and multiphoton fluorescence microscopy were used to image the uptake of the protein lysozyme into individual ion exchange chromatography particles in a packed bed in real time. Self-sharpening concentration fronts penetrating into the particles were observed at low salt concentrations in all of the adsorbents studied, but persisted to 100 mM ionic strength only in some materials. In other adsorbents, diffuse profiles were seen at these higher salt concentrations, with the transition region exhibiting a pronounced fluorescence peak at the front at intermediate salt concentrations. These patterns in the uptake profiles are accompanied by significant increases in protein uptake rates that are also seen macroscopically in batch uptake experiments. The fluorescence peak appears to be a concentration overshoot that may develop, in part, from an electrokinetic contribution to transport that also enhances the uptake rate. Further evidence for an electrokinetic origin is that the effect is correlated with high adsorbent surface charge densities. Predictions of a mathematical model incorporating the electrokinetic effect are in qualitative agreement with the observations. These findings indicate that mechanisms other than diffusion contribute to protein transport in oppositely charged porous materials and may be exploited to achieve rapid uptake in process chromatography. PMID:12522150

  6. Thermodynamics of Biological Processes

    PubMed Central

    Garcia, Hernan G.; Kondev, Jane; Orme, Nigel; Theriot, Julie A.; Phillips, Rob

    2012-01-01

    There is a long and rich tradition of using ideas from both equilibrium thermodynamics and its microscopic partner theory of equilibrium statistical mechanics. In this chapter, we provide some background on the origins of the seemingly unreasonable effectiveness of ideas from both thermodynamics and statistical mechanics in biology. After making a description of these foundational issues, we turn to a series of case studies primarily focused on binding that are intended to illustrate the broad biological reach of equilibrium thinking in biology. These case studies include ligand-gated ion channels, thermodynamic models of transcription, and recent applications to the problem of bacterial chemotaxis. As part of the description of these case studies, we explore a number of different uses of the famed Monod–Wyman–Changeux (MWC) model as a generic tool for providing a mathematical characterization of two-state systems. These case studies should provide a template for tailoring equilibrium ideas to other problems of biological interest. PMID:21333788

  7. Thermodynamics of Nonadditive Systems

    NASA Astrophysics Data System (ADS)

    Latella, Ivan; Pérez-Madrid, Agustín; Campa, Alessandro; Casetti, Lapo; Ruffo, Stefano

    2015-06-01

    The usual formulation of thermodynamics is based on the additivity of macroscopic systems. However, there are numerous examples of macroscopic systems that are not additive, due to the long-range character of the interaction among the constituents. We present here an approach in which nonadditive systems can be described within a purely thermodynamics formalism. The basic concept is to consider a large ensemble of replicas of the system where the standard formulation of thermodynamics can be naturally applied and the properties of a single system can be consequently inferred. After presenting the approach, we show its implementation in systems where the interaction decays as 1 /rα in the interparticle distance r , with α smaller than the embedding dimension d , and in the Thirring model for gravitational systems.

  8. Semiautomated, Reproducible Batch Processing of Soy

    NASA Technical Reports Server (NTRS)

    Thoerne, Mary; Byford, Ivan W.; Chastain, Jack W.; Swango, Beverly E.

    2005-01-01

    A computer-controlled apparatus processes batches of soybeans into one or more of a variety of food products, under conditions that can be chosen by the user and reproduced from batch to batch. Examples of products include soy milk, tofu, okara (an insoluble protein and fiber byproduct of soy milk), and whey. Most processing steps take place without intervention by the user. This apparatus was developed for use in research on processing of soy. It is also a prototype of other soy-processing apparatuses for research, industrial, and home use. Prior soy-processing equipment includes household devices that automatically produce soy milk but do not automatically produce tofu. The designs of prior soy-processing equipment require users to manually transfer intermediate solid soy products and to press them manually and, hence, under conditions that are not consistent from batch to batch. Prior designs do not afford choices of processing conditions: Users cannot use previously developed soy-processing equipment to investigate the effects of variations of techniques used to produce soy milk (e.g., cold grinding, hot grinding, and pre-cook blanching) and of such process parameters as cooking times and temperatures, grinding times, soaking times and temperatures, rinsing conditions, and sizes of particles generated by grinding. In contrast, the present apparatus is amenable to such investigations. The apparatus (see figure) includes a processing tank and a jacketed holding or coagulation tank. The processing tank can be capped by either of two different heads and can contain either of two different insertable mesh baskets. The first head includes a grinding blade and heating elements. The second head includes an automated press piston. One mesh basket, designated the okara basket, has oblong holes with a size equivalent to about 40 mesh [40 openings per inch (.16 openings per centimeter)]. The second mesh basket, designated the tofu basket, has holes of 70 mesh [70 openings

  9. Thermodynamics of Nitinol

    NASA Astrophysics Data System (ADS)

    McNichols, J. L., Jr.; Cory, J. S.

    1987-02-01

    A self-consistent macroscopic thermodynamics is developed for the calculation of work, heat, and dissipation for thermodynamic paths of the shape memory alloy, Nitinol. The thermodynamic system analyzed is a Nitinol helix for which extensive force-length-temperature (FLT) equation of state measurements have been made. The Nitinol system exhibits significant hysteresis and is determined to be a nonequilibrium thermostatic system. A set of equations of state are provided which correlate all reversible and irreversible Nitinol thermodynamic paths to both the set of helix (FLT) thermodynamic state variables and to new ``history'' state variables. It is shown that these equations predict observed cyclic behaviors not previously interpreted. In the absence of calorimetric measurements for the Nitinol helix system, a physical assumption is made that reversible paths are of constant phase. This assumption is used to estimate the reversible path thermal and mechanical heat capacities for the Nitinol system. With the state equations and the estimated reversible path heat capacities, the nonequilibrium thermostatic formalism is employed to derive expressions for the heat flow for any Nitinol thermodynamic path. It is shown that predicted calorimetric quantities are in good qualitative agreement with measurements. It is also shown that the calorimetric quantities are sensitive to state equation coefficients, which in turn are sensitive to cold-working or ``conditioning'' of the material. The large heat of transformation, ˜2.4 cal/g, an estimated isentropic temperature change of 22 °C and the large dimensional changes associated with the shape memory effect, imply that Nitinol may be useful for many applications, including use as a working medium for low-grade thermal-energy conversion (i.e., heat engines).

  10. Thermodynamics of graphene

    NASA Astrophysics Data System (ADS)

    Rusanov, A. I.

    2014-12-01

    The 21st century has brought a lot of new results related to graphene. Apparently, graphene has been characterized from all points of view except surface science and, especially, surface thermodynamics. This report aims to close this gap. Since graphene is the first real two-dimensional solid, a general formulation of the thermodynamics of two-dimensional solid bodies is given. The two-dimensional chemical potential tensor coupled with stress tensor is introduced, and fundamental equations are derived for energy, free energy, grand thermodynamic potential (in the classical and hybrid forms), enthalpy, and Gibbs energy. The fundamentals of linear boundary phenomena are formulated with explaining the concept of a dividing line, the mechanical and thermodynamic line tensions, line energy and other linear properties with necessary thermodynamic equations. The one-dimensional analogs of the Gibbs adsorption equation and Shuttleworth-Herring relation are presented. The general thermodynamic relationships are illustrated with calculations based on molecular theory. To make the reader sensible of the harmony of chemical and van der Waals forces in graphene, the remake of the classical graphite theory is presented with additional variable combinations of graphene sheets. The calculation of the line energy of graphene is exhibited including contributions both from chemical bonds and van der Waals forces (expectedly, the latter are considerably smaller than the former). The problem of graphene holes originating from migrating vacancies is discussed on the basis of the Gibbs-Curie principle. An important aspect of line tension is the planar sheet/nanotube transition where line tension acts as a driving force. Using the bending stiffness of graphene, the possible radius range is estimated for achiral (zigzag and armchair) nanotubes.

  11. SLUDGE BATCH 5 SIMULANT FLOWSHEET STUDIES

    SciTech Connect

    Lambert, D; Michael Stone, M; Bradley Pickenheim, B; David Best, D; David Koopman, D

    2008-10-03

    The Defense Waste Processing Facility (DWPF) will transition from Sludge Batch 4 (SB4) processing to Sludge Batch 5 (SB5) processing in early fiscal year 2009. Tests were conducted using non-radioactive simulants of the expected SB5 composition to determine the impact of varying the acid stoichiometry during the Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME) processes. The work was conducted to meet the Technical Task Request (TTR) HLW/DWPF/TTR-2007-0007, Rev. 1 and followed the guidelines of a Task Technical and Quality Assurance Plan (TT&QAP). The flowsheet studies are performed to evaluate the potential chemical processing issues, hydrogen generation rates, and process slurry rheological properties as a function of acid stoichiometry. Initial SB5 flowsheet studies were conducted to guide decisions during the sludge batch preparation process. These studies were conducted with the estimated SB5 composition at the time of the study. The composition has changed slightly since these studies were completed due to changes in the washing plan to prepare SB5 and the estimated SB4 heel mass. Nine DWPF process simulations were completed in 4-L laboratory-scale equipment using both a batch simulant (Tank 51 simulant after washing is complete) and a blend simulant (Tank 40 simulant after Tank 51 transfer is complete). Each simulant had a set of four SRAT and SME simulations at varying acid stoichiometry levels (115%, 130%, 145% and 160%). One additional run was made using blend simulant at 130% acid that included additions of the Actinide Removal Process (ARP) waste prior to acid addition and the Modular Caustic Side Solvent Extraction (CSSX) Unit (MCU) waste following SRAT dewatering. There are several parameters that are noteworthy concerning SB5 sludge: (1) This is the first batch DWPF will be processing that contains sludge that has had a significant fraction of aluminum removed through aluminum dissolution. (2) The sludge is high in mercury

  12. Thermodynamics of lattice OCD

    SciTech Connect

    Matsuoka, H.

    1985-01-01

    The thermodynamic consequences of QCD are explored in the framework of lattice gauge theory. Attention is focused upon the nature of the chiral symmetry restoration transition at finite temperature and at finite baryon density, and possible strategies for identifying relevant thermodynamic phases are discussed. Some numerical results are presented on the chiral symmetry restoration in the SU(2) gauge theory at high baryon density. The results suggest that with T approx. = 110 MeV there is a second order restoration transition at the critical baryon density n/sub B//sup c/ approx. = 0.62 fm/sup -3/.

  13. Viscoplasticity: A thermodynamic formulation

    NASA Technical Reports Server (NTRS)

    Freed, A. D.; Chaboche, J. L.

    1989-01-01

    A thermodynamic foundation using the concept of internal state variables is given for a general theory of viscoplasticity, as it applies to initially isotropic materials. Three fundamental internal state variables are admitted. They are: a tensor valued back stress for kinematic effects, and the scalar valued drag and yield strengths for isotropic effects. All three are considered to phenomenologically evolve according to competitive processes between strain hardening, strain induced dynamic recovery, and time induced static recovery. Within this phenomenological framework, a thermodynamically admissible set of evolution equations is put forth. This theory allows each of the three fundamental internal variables to be composed as a sum of independently evolving constituents.

  14. BATCH-GE: Batch analysis of Next-Generation Sequencing data for genome editing assessment.

    PubMed

    Boel, Annekatrien; Steyaert, Woutert; De Rocker, Nina; Menten, Björn; Callewaert, Bert; De Paepe, Anne; Coucke, Paul; Willaert, Andy

    2016-01-01

    Targeted mutagenesis by the CRISPR/Cas9 system is currently revolutionizing genetics. The ease of this technique has enabled genome engineering in-vitro and in a range of model organisms and has pushed experimental dimensions to unprecedented proportions. Due to its tremendous progress in terms of speed, read length, throughput and cost, Next-Generation Sequencing (NGS) has been increasingly used for the analysis of CRISPR/Cas9 genome editing experiments. However, the current tools for genome editing assessment lack flexibility and fall short in the analysis of large amounts of NGS data. Therefore, we designed BATCH-GE, an easy-to-use bioinformatics tool for batch analysis of NGS-generated genome editing data, available from https://github.com/WouterSteyaert/BATCH-GE.git. BATCH-GE detects and reports indel mutations and other precise genome editing events and calculates the corresponding mutagenesis efficiencies for a large number of samples in parallel. Furthermore, this new tool provides flexibility by allowing the user to adapt a number of input variables. The performance of BATCH-GE was evaluated in two genome editing experiments, aiming to generate knock-out and knock-in zebrafish mutants. This tool will not only contribute to the evaluation of CRISPR/Cas9-based experiments, but will be of use in any genome editing experiment and has the ability to analyze data from every organism with a sequenced genome. PMID:27461955

  15. BATCH-GE: Batch analysis of Next-Generation Sequencing data for genome editing assessment

    PubMed Central

    Boel, Annekatrien; Steyaert, Woutert; De Rocker, Nina; Menten, Björn; Callewaert, Bert; De Paepe, Anne; Coucke, Paul; Willaert, Andy

    2016-01-01

    Targeted mutagenesis by the CRISPR/Cas9 system is currently revolutionizing genetics. The ease of this technique has enabled genome engineering in-vitro and in a range of model organisms and has pushed experimental dimensions to unprecedented proportions. Due to its tremendous progress in terms of speed, read length, throughput and cost, Next-Generation Sequencing (NGS) has been increasingly used for the analysis of CRISPR/Cas9 genome editing experiments. However, the current tools for genome editing assessment lack flexibility and fall short in the analysis of large amounts of NGS data. Therefore, we designed BATCH-GE, an easy-to-use bioinformatics tool for batch analysis of NGS-generated genome editing data, available from https://github.com/WouterSteyaert/BATCH-GE.git. BATCH-GE detects and reports indel mutations and other precise genome editing events and calculates the corresponding mutagenesis efficiencies for a large number of samples in parallel. Furthermore, this new tool provides flexibility by allowing the user to adapt a number of input variables. The performance of BATCH-GE was evaluated in two genome editing experiments, aiming to generate knock-out and knock-in zebrafish mutants. This tool will not only contribute to the evaluation of CRISPR/Cas9-based experiments, but will be of use in any genome editing experiment and has the ability to analyze data from every organism with a sequenced genome. PMID:27461955

  16. Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.

    ERIC Educational Resources Information Center

    Parker, Barry R.; McLeod, Robert J.

    1980-01-01

    An analogy, which has been drawn between black hole physics and thermodynamics, is mathematically broadened in this article. Equations similar to the standard partial differential relations of thermodynamics are found for black holes. The results can be used to supplement an undergraduate thermodynamics course. (Author/SK)

  17. Focus on stochastic thermodynamics

    NASA Astrophysics Data System (ADS)

    Van den Broeck, Christian; Sasa, Shin-ichi; Seifert, Udo

    2016-02-01

    We introduce the thirty papers collected in this ‘focus on’ issue. The contributions explore conceptual issues within and around stochastic thermodynamics, use this framework for the theoretical modeling and experimental investigation of specific systems, and provide further perspectives on and for this active field.

  18. On Teaching Thermodynamics

    ERIC Educational Resources Information Center

    Debbasch, F.

    2011-01-01

    The logical structure of classical thermodynamics is presented in a modern, geometrical manner. The first and second law receive clear, operatively oriented statements and the Gibbs free energy extremum principle is fully discussed. Applications relevant to chemistry, such as phase transitions, dilute solutions theory and, in particular, the law…

  19. Thermodynamics of Resource Recycling.

    ERIC Educational Resources Information Center

    Hauserman, W. B.

    1988-01-01

    Evaluates the overall economic efficiency of a closed resource cycle. Uses elementary thermodynamic definitions of overall thermal efficiency for determining an economically quantifiable basis. Selects aluminum for investigation and includes a value-entropy diagram for a closed aluminum cycle. (MVL)

  20. Thermodynamics of Dilute Solutions.

    ERIC Educational Resources Information Center

    Jancso, Gabor; Fenby, David V.

    1983-01-01

    Discusses principles and definitions related to the thermodynamics of dilute solutions. Topics considered include dilute solution, Gibbs-Duhem equation, reference systems (pure gases and gaseous mixtures, liquid mixtures, dilute solutions), real dilute solutions (focusing on solute and solvent), terminology, standard states, and reference systems.…

  1. Thermodynamics of convective circulations

    NASA Astrophysics Data System (ADS)

    Adams, D. K.; Renno, N. O.

    2003-04-01

    The heat engine framework has proven successful for studies of atmospheric phenomena ranging from small to large scales. At large scales, the heat engine framework provides estimates of convective available potential energy, convective velocities, and fractional area covered by convection. At the smaller end of the spectrum, the framework provides estimates of the intensity of convective vortices such as dust devils and waterspouts. The heat engine framework sheds light on the basic physics of planetary atmospheres. In particular, it allows the calculation of their thermodynamic efficiency. Indeed, this is a fundamental number for atmospheric circulations because it quantifies the amount of heat that is converted into kinetic energy. As such, it is a valuable number not only for comparison of models with nature, but also for the intercomparison of models. In the present study, we generalize the heat engine framework to large-scale circulations, both open (e.g., the Hadley circulation) and closed (e.g., the general circulation) and apply it to an idealized global climate model to ascertain the thermodynamic efficiency of model circulations, both global and regional. Our results show that the thermodynamic efficiency is sensitive to model resolution and provides a baseline for minimum model resolution in climate studies. The value of the thermodynamic efficiency of convective circulations in nature is controversial. It has been suggested that both nature and numerical models are extremely irreversible. We show that both the global and the Hadley circulation of the idealized model are, to a first approximation, reversible.

  2. Program Computes Thermodynamic Functions

    NASA Technical Reports Server (NTRS)

    Mcbride, Bonnie J.; Gordon, Sanford

    1994-01-01

    PAC91 is latest in PAC (Properties and Coefficients) series. Two principal features are to provide means of (1) generating theoretical thermodynamic functions from molecular constants and (2) least-squares fitting of these functions to empirical equations. PAC91 written in FORTRAN 77 to be machine-independent.

  3. Thermodynamics with Design Problems.

    ERIC Educational Resources Information Center

    Cilento, E. V.; Sears, J. T.

    1983-01-01

    Discusses how basic thermodynamics concepts are integrated with design problems. Includes course goals, instructional strategies, and major advantages/disadvantages of the integrated design approach. Advantages include making subject more concrete, emphasizing interrelation of variables, and reinforcing concepts by use in design analysis; whereas…

  4. Fluctuating Thermodynamics for Biological Processes

    NASA Astrophysics Data System (ADS)

    Ham, Sihyun

    Because biomolecular processes are largely under thermodynamic control, dynamic extension of thermodynamics is necessary to uncover the mechanisms and driving factors of fluctuating processes. The fluctuating thermodynamics technology presented in this talk offers a practical means for the thermodynamic characterization of conformational dynamics in biomolecules. The use of fluctuating thermodynamics has the potential to provide a comprehensive picture of fluctuating phenomena in diverse biological processes. Through the application of fluctuating thermodynamics, we provide a thermodynamic perspective on the misfolding and aggregation of the various proteins associated with human diseases. In this talk, I will present the detailed concepts and applications of the fluctuating thermodynamics technology for elucidating biological processes. This work was supported by Samsung Science and Technology Foundation under Project Number SSTF-BA1401-13.

  5. Characterization of Three LYSO Crystal Batches

    NASA Astrophysics Data System (ADS)

    Yang, Fan; Mao, Rihua; Zhang, Liyuan; Zhu, Ren-Yuan

    2015-02-01

    We report on three LYSO crystal batches characterized at the Caltech crystal laboratory for future HEP experiments: Twenty-five 20 cm long crystals for the SuperB experiment; twelve 13 cm long crystals for the Mu2e experiment and 623 14×14×1.5 mm plates with five holes for a LYSO/W Shashlik matrix for a beam test at Fermilab. Optical and scintillation properties measured are longitudinal Transmittance, light output and FWHM energy resolution. Correlations between these properties are also investigated.

  6. Characterization of three LYSO crystal batches

    NASA Astrophysics Data System (ADS)

    Yang, Fan; Mao, Rihua; Zhang, Liyuan; Zhu, Ren-Yuan

    2015-06-01

    We report on three LYSO crystal batches characterized at the Caltech crystal laboratory for future HEP experiments: 25 20 cm long crystals for the SuperB experiment; 12 13 cm long crystals for the Mu2e experiment and 623 14×14×1.5 mm3 plates with five holes for a LYSO/W Shashlik matrix for a beam test at Fermilab. Optical and scintillation properties measured are longitudinal transmittance, light output and FWHM energy resolution. Correlations between these properties are also investigated.

  7. Batch and continuous recrystallization of secondary explosives

    SciTech Connect

    Moodie, W.J.; Bennett, J.E.

    1984-03-09

    Explosive powders are recrystallized at Mound for use in development and production programs of the US Department of Energy. Batch and continuous precipitation units are operated on a small scale to produce powders of different crystal morphology over a wide range of specific surface areas. The equipment and procedures are described for both methods of operation. Safety aspects, and features designed to optimize product purity and freedom from contamination, are discussed. Experimental studies are conducted to determine the effects of varying the process parameters. The results are used to select the operating conditions to make powders for specific applications.

  8. Effects of mixing on fed-batch fermentation of L-ornithine.

    PubMed

    Lee, H; Yoon, S; Jang, H; Kim, C; Kim, T; Ryu, W; Jung, J; Park, Y

    2000-01-01

    The effects of mixing on L-ornithine fermentation were studied using an L-arginine auxotrophic mutant of Brevibacterium ketoglutamicum ATCC 21092. Three different modes of fed-batch culture using two different impeller types were studied in a 7 l fermentor. The first two modes of fed-batch culture were carried out in a fermentor equipped with six-flat-blade disk-turbine impellers with top and bottom feeding. The third mode of fed batch culture was carried out using pitched-six-flat-blade disk-turbine impellers with top feeding. The titre of L-ornithine increased up to 1.8 fold with bottom-feeding or when the pitched-six-flat-blade disk-turbine impellers were used compared to when the six-flat-blade disk-turbine impellers with top-feeding were used. It was observed that the mixing time of the limiting nutrients varied significantly depending on both the direction of feeding and the impeller type. Since the profiles of the specific rates of CO2 evolution, oxygen and glucose uptakes were very similar for the three culture modes, it could be reasonably assumed that the microorganism exhibited similar growth rates for each mode used. However, different amino acid producing activities were observed in the three culture modes. From these results it is concluded that the productivity of L-ornithine fermentation is significantly improved by shortening the mixing time of the limiting nutrient in the fermentor. PMID:16232794

  9. Kinetic and thermodynamic studies of sulforaphane adsorption on macroporous resin.

    PubMed

    Yuanfeng, Wu; Lei, Zhang; Jianwei, Mao; Shiwang, Liu; Jun, Huang; Yuru, You; Lehe, Mei

    2016-08-15

    The adsorption equilibrium, kinetic and thermodynamic of sulforaphane (SF) adsorption onto macroporous resin in aqueous phase were studied. The SP850 resin was screened as the appropriate resin for SF purification. From the equilibrium studies, the Redlich-Peterson model was found to be the best for description of the adsorption behavior of SF onto SP850 resin, followed by the Freundlich model and the Langmuir model. Batch equilibrium experiments demonstrated that, in the examined temperature range, the equilibrium adsorption capacity of SP850 resin decreased with increasing adsorption temperature. Thermodynamics studies indicated that the adsorption of SF was a physical, exothermic, and spontaneous process. The adsorption kinetics revealed that the pseudo-second-order kinetic model was suitable to characterize the kinetics of adsorption of SF onto SP850. Finally, the intra-particle diffusion model demonstrated that SF diffused quickly into macropores, and that diffusion slowed down in the meso- and micropores. PMID:27391585

  10. Medication Waste Reduction in Pediatric Pharmacy Batch Processes

    PubMed Central

    Veltri, Michael A.; Hamrock, Eric; Mollenkopf, Nicole L.; Holt, Kristen; Levin, Scott

    2014-01-01

    OBJECTIVES: To inform pediatric cart-fill batch scheduling for reductions in pharmaceutical waste using a case study and simulation analysis. METHODS: A pre and post intervention and simulation analysis was conducted during 3 months at a 205-bed children's center. An algorithm was developed to detect wasted medication based on time-stamped computerized provider order entry information. The algorithm was used to quantify pharmaceutical waste and associated costs for both preintervention (1 batch per day) and postintervention (3 batches per day) schedules. Further, simulation was used to systematically test 108 batch schedules outlining general characteristics that have an impact on the likelihood for waste. RESULTS: Switching from a 1-batch-per-day to a 3-batch-per-day schedule resulted in a 31.3% decrease in pharmaceutical waste (28.7% to 19.7%) and annual cost savings of $183,380. Simulation results demonstrate how increasing batch frequency facilitates a more just-in-time process that reduces waste. The most substantial gains are realized by shifting from a schedule of 1 batch per day to at least 2 batches per day. The simulation exhibits how waste reduction is also achievable by avoiding batch preparation during daily time periods where medication administration or medication discontinuations are frequent. Last, the simulation was used to show how reducing batch preparation time per batch provides some, albeit minimal, opportunity to decrease waste. CONCLUSIONS: The case study and simulation analysis demonstrate characteristics of batch scheduling that may support pediatric pharmacy managers in redesign toward minimizing pharmaceutical waste. PMID:25024671

  11. Microbial surface thermodynamics and applications.

    PubMed

    Strevett, Keith A; Chen, Gang

    2003-06-01

    Microbial surface thermodynamics is the reflection of microbial physicochemical and biological characteristics and it bridges micro-scale structures with macro-scale biological functions. Microbial surface thermodynamics is theoretically based on colloid surface thermodynamics using the classical theory of colloidal stability, Derjauin-Landau-Verwey-Overbeek (DLVO) theory. An extended DLVO theory is applied to for the hydration forces not considered in the classical DLVO theory. Herein, a review of current application of microbial surface thermodynamic theory is presented. Microbial surface thermodynamic theory is the fundamental theory in interpreting microbial hydrophilicity or hydrophobicity, microbial attachment, and microbial biofilm development. PMID:12837508

  12. Thermodynamics of nuclear transport

    NASA Astrophysics Data System (ADS)

    Wang, Ching-Hao; Mehta, Pankaj; Elbaum, Michael

    Molecular transport across the nuclear envelope is important for eukaryotes for gene expression and signaling. Experimental studies have revealed that nuclear transport is inherently a nonequilibrium process and actively consumes energy. In this work we present a thermodynamics theory of nuclear transport for a major class of nuclear transporters that are mediated by the small GTPase Ran. We identify the molecular elements responsible for powering nuclear transport, which we term the ``Ran battery'' and find that the efficiency of transport, measured by the cargo nuclear localization ratio, is limited by competition between cargo molecules and RanGTP to bind transport receptors, as well as the amount of NTF2 (i.e. RanGDP carrier) available to circulate the energy flow. This picture complements our current understanding of nuclear transport by providing a comprehensive thermodynamics framework to decipher the underlying biochemical machinery. Pm and CHW were supported by a Simons Investigator in the Mathematical Modeling in Living Systems grant (to PM).

  13. Statistical Thermodynamics of Biomembranes

    PubMed Central

    Devireddy, Ram V.

    2010-01-01

    An overview of the major issues involved in the statistical thermodynamic treatment of phospholipid membranes at the atomistic level is summarized: thermodynamic ensembles, initial configuration (or the physical system being modeled), force field representation as well as the representation of long-range interactions. This is followed by a description of the various ways that the simulated ensembles can be analyzed: area of the lipid, mass density profiles, radial distribution functions (RDFs), water orientation profile, Deuteurium order parameter, free energy profiles and void (pore) formation; with particular focus on the results obtained from our recent molecular dynamic (MD) simulations of phospholipids interacting with dimethylsulfoxide (Me2SO), a commonly used cryoprotective agent (CPA). PMID:19460363

  14. Thermodynamic analysis of spectra

    SciTech Connect

    Mitchell, G. E.; Shriner, J. F. Jr.

    2008-04-04

    Although random matrix theory had its initial application to neutron resonances, there is a relative scarcity of suitable nuclear data. The primary reason for this is the sensitivity of the standard measures used to evaluate spectra--the spectra must be essential pure (no state with a different symmetry) and complete (no states missing). Additional measures that are less sensitive to these experimental limitations are of significant value. The standard measure for long range order is the {delta}{sub 3} statistic. In the original paper that introduced this statistic, Dyson and Mehta also attempted to evaluate spectra with thermodynamic variables obtained from the circular orthogonal ensemble. We consider the thermodynamic 'internal energy' and evaluate its sensitivity to experimental limitations such as missing and spurious levels. Monte Carlo simulations suggest that the internal energy is less sensitive to mistakes than is {delta}{sub 3}, and thus the internal energy can serve as a addition to the tool kit for evaluating experimental spectra.

  15. Perspective on quantum thermodynamics

    NASA Astrophysics Data System (ADS)

    Millen, James; Xuereb, André

    2016-01-01

    Classical thermodynamics is unrivalled in its range of applications and relevance to everyday life. It enables a description of complex systems, made up of microscopic particles, in terms of a small number of macroscopic quantities, such as work and entropy. As systems get ever smaller, fluctuations of these quantities become increasingly relevant, prompting the development of stochastic thermodynamics. Recently we have seen a surge of interest in exploring the quantum regime, where the origin of fluctuations is quantum rather than thermal. Many questions, such as the role of entanglement and the emergence of thermalisation, lie wide open. Answering these questions may lead to the development of quantum heat engines and refrigerators, as well as to vitally needed simple descriptions of quantum many-body systems.

  16. Dynamically tunable transformation thermodynamics

    NASA Astrophysics Data System (ADS)

    García-Meca, Carlos; Barceló, Carlos

    2016-04-01

    Recently, the introduction of transformation thermodynamics has provided a way to design thermal media that alter the flow of heat according to any spatial deformation, enabling the construction of novel devices such as thermal cloaks or concentrators. However, in its current version, this technique only allows static deformations of space. Here, we develop a space–time theory of transformation thermodynamics that incorporates the possibility of performing time-varying deformations. This extra freedom greatly widens the range of achievable effects, providing an additional degree of control for heat management applications. As an example, we design a reconfigurable thermal cloak that can be opened and closed dynamically, therefore being able to gradually adjust the temperature distribution of a given region.

  17. Canonical fluid thermodynamics

    NASA Technical Reports Server (NTRS)

    Schmid, L. A.

    1972-01-01

    The space-time integral of the thermodynamic pressure plays the role of the thermodynamic potential for compressible, adiabatic flow in the sense that the pressure integral for stable flow is less than for all slightly different flows. This stability criterion can be converted into a variational minimum principle by requiring the molar free-enthalpy and the temperature, which are the arguments of the pressure function, to be generalized velocities, that is, the proper-time derivatives of scalar spare-time functions which are generalized coordinates in the canonical formalism. In a fluid context, proper-time differentiation must be expressed in terms of three independent quantities that specify the fluid velocity. This can be done in several ways, all of which lead to different variants (canonical transformations) of the same constraint-free action integral whose Euler-Lagrange equations are just the well-known equations of motion for adiabatic compressible flow.

  18. Contact symmetries and Hamiltonian thermodynamics

    SciTech Connect

    Bravetti, A.; Lopez-Monsalvo, C.S.; Nettel, F.

    2015-10-15

    It has been shown that contact geometry is the proper framework underlying classical thermodynamics and that thermodynamic fluctuations are captured by an additional metric structure related to Fisher’s Information Matrix. In this work we analyse several unaddressed aspects about the application of contact and metric geometry to thermodynamics. We consider here the Thermodynamic Phase Space and start by investigating the role of gauge transformations and Legendre symmetries for metric contact manifolds and their significance in thermodynamics. Then we present a novel mathematical characterization of first order phase transitions as equilibrium processes on the Thermodynamic Phase Space for which the Legendre symmetry is broken. Moreover, we use contact Hamiltonian dynamics to represent thermodynamic processes in a way that resembles the classical Hamiltonian formulation of conservative mechanics and we show that the relevant Hamiltonian coincides with the irreversible entropy production along thermodynamic processes. Therefore, we use such property to give a geometric definition of thermodynamically admissible fluctuations according to the Second Law of thermodynamics. Finally, we show that the length of a curve describing a thermodynamic process measures its entropy production.

  19. Batch-to-batch pharmacokinetic variability confounds current bioequivalence regulations: A dry powder inhaler randomized clinical trial.

    PubMed

    Burmeister Getz, E; Carroll, K J; Jones, B; Benet, L Z

    2016-09-01

    Current pharmacokinetic (PK) bioequivalence guidelines do not account for batch-to-batch variability in study design or analysis. Here we evaluate the magnitude of batch-to-batch PK variability for Advair Diskus 100/50. Single doses of fluticasone propionate and salmeterol combinations were administered by oral inhalation to healthy subjects in a randomized clinical crossover study comparing three different batches purchased from the market, with one batch replicated across two treatment periods. All pairwise comparisons between different batches failed the PK bioequivalence statistical test, demonstrating substantial PK differences between batches that were large enough to demonstrate bio-inequivalence in some cases. In contrast, between-replicate PK bioequivalence was demonstrated for the replicated batch. Between-batch variance was ∼40-70% of the estimated residual error. This large additional source of variability necessitates re-evaluation of bioequivalence assessment criteria to yield a result that is both generalizable and consistent with the principles of type I and type II error rate control. PMID:27037630

  20. Nonequilibrium thermodynamics of nucleation.

    PubMed

    Schweizer, M; Sagis, L M C

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects. PMID:25494727

  1. Nonequilibrium thermodynamics of nucleation

    SciTech Connect

    Schweizer, M.; Sagis, L. M. C.

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  2. The discovery of thermodynamics

    NASA Astrophysics Data System (ADS)

    Weinberger, Peter

    2013-07-01

    Based on the idea that a scientific journal is also an "agora" (Greek: market place) for the exchange of ideas and scientific concepts, the history of thermodynamics between 1800 and 1910 as documented in the Philosophical Magazine Archives is uncovered. Famous scientists such as Joule, Thomson (Lord Kelvin), Clausius, Maxwell or Boltzmann shared this forum. Not always in the most friendly manner. It is interesting to find out, how difficult it was to describe in a scientific (mathematical) language a phenomenon like "heat", to see, how long it took to arrive at one of the fundamental principles in physics: entropy. Scientific progress started from the simple rule of Boyle and Mariotte dating from the late eighteenth century and arrived in the twentieth century with the concept of probabilities. Thermodynamics was the driving intellectual force behind the industrial revolution, behind the enormous social changes caused by this revolution. The history of thermodynamics is a fascinating story, which also gives insights into the mechanism that seem to govern science.

  3. Comparison of heavy metal toxicity in continuous flow and batch reactors

    NASA Astrophysics Data System (ADS)

    Sengor, S. S.; Gikas, P.; Moberly, J. G.; Peyton, B. M.; Ginn, T. R.

    2009-12-01

    The presence of heavy metals may significantly affect microbial growth. In many cases, small amounts of particular heavy metals may stimulate microbial growth; however, larger quantities may result in microbial growth reduction. Environmental parameters, such as growth pattern may alter the critical heavy metal concentration, above which microbial growth stimulation turns to growth inhibition. Thus, it is important to quantify the effects of heavy metals on microbial activity for understanding natural or manmade biological reactors, either in situ or ex situ. Here we compare the toxicity of Zn and Cu on Arthrobacter sp., a heavy metal tolerant microorganism, under continuous flow versus batch reactor operations. Batch and continuous growth tests of Arthrobacter sp. were carried out at various individual and combined concentrations of Zn and Cu. Biomass concentration (OD) was measured for both the batch and continuous reactors, whereas ATP, oxygen uptake rates and substrate concentrations were additionally measured for the continuous system. Results indicated that Cu was more toxic than Zn under all conditions for both systems. In batch reactors, all tested Zn concentrations up to 150 uM showed a stimulatory effect on microbial growth. However, in the case of mixed Zn and Cu exposures, the presence of Zn either eliminated (at the 50 uM level both Zn and Cu) or reduced by ~25% (at the 100 and 150 uM levels both Zn and Cu) the Cu-induced inhibition. In the continuous system, only one test involved combined Cu (40uM) and Zn (125uM) and this test showed similar results to the 40uM Cu continuous test, i.e., no reduction in inhibition. The specific ATP concentration, i.e., ATP/OD, results for the continuous reactor showed an apparent recovery for both Cu-treated populations, although neither the OD nor glucose data showed any recovery. This may reflect that the individual microorganisms that survived after the addition of heavy metals, kept maintaining the usual ATP

  4. Geochemistry of batch-extract waters derived from spoil material collected at the Cordero coal mine, Powder River basin, Wyoming

    USGS Publications Warehouse

    Naftz, D.L.

    1990-01-01

    Batch-mixing experiments to evaluate postmining water quality at the Cordero Mine were conducted by the U.S. Geological Survey during 1984 to 1985. Contact of groundwater from the spoil aquifer with fresh spoil material caused only small changes in major-element concentrations and in pH, unless sulfide oxidation or contact with soluble salts, such as epsomite, occurred. In contrast, large changes in major-element concentration resulted when water from the coal aquifer contacted the spoil material. Only three of seven reaction models considered to explain the water quality changes during the batch-mixing experiments were consistent with the thermodynamic and mineralogical data. The three models used to account for the observed water quality changes derived potassium from potassium feldspar; magnesium from chlorite or epsomite or both; sodium from cation exchange and halite; chloride from halite; silica from potassium feldspar and chlorite; sulfate from gypsum, or epsomite or both, and carbon from carbon dioxide. In general, water quality samples obtained from the batch-mixing experiments using water from the coal aquifer had smaller major-ion concentrations than the actual water quality in the spoil aquifer. These differences can be explained by the limited amount of efflorescent salt dissolution and volume of water used in the experiments. Correction ratios calculated for these experiments may be applied to batch-mixing experiments at other mines in the area, to predict postmining water quality. (USGS)

  5. TANK 50 BATCH 0 SALTSTONE FORMULATION CONFIRMATION

    SciTech Connect

    Langton, C.

    2006-06-05

    Savannah River National Laboratory (SRNL) personnel were requested to confirm the Tank 50 Batch 0 grout formulation per Technical Task Request, SSF-TTR-2006-0001 (task 1 of 2) [1]. Earlier Batch 0 formulation testing used a Tank 50 sample collected in September 2005 and is described elsewhere [2]. The current testing was performed using a sample of Tank 50 waste collected in May 2006. This work was performed according to the Technical Task and Quality Assurance Plan (TT/QAP), WSRC-RP-2006-00594 [3]. The salt solution collected from Tank 50 in May 2006 contained approximately 3 weight percent more solids than the sample collected in September 2005. The insoluble solids took longer to settle in the new sample which was interpreted as indicating finer particles in the current sample. The saltstone formulation developed for the September 2005 Tank 50 Batch 0 sample was confirmed for the May 2006 sample with one minor exception. Saltstone prepared with the Tank 50 sample collected in May 2006 required 1.5 times more Daratard 17 set retarding admixture than the saltstone prepared with the September In addition, a sample prepared with lower shear mixing (stirring with a spatula) had a higher plastic viscosity (57 cP) than samples made with higher shear mixing in a blender (23cP). The static gel times of the saltstone slurries made with low shear mixing were also shorter ({approx}32 minutes) than those for comparable samples made in the blender ({approx}47 minutes). The addition of the various waste streams (ETP, HEU-HCAN, and GPE-HCAN) to Tank 50 from September 2005 to May 2006 has increased the amount of set retarder, Daratard 17, required for processing saltstone slurries through the Saltstone facility. If these streams are continued to be added to Tank 50, the quantity of admixtures required to maintain the same processing conditions for the Saltstone facility will probably change and additional testing is recommended to reconfirm the Tank 50 Saltstone formulation.

  6. Quantitative modeling of viable cell density, cell size, intracellular conductivity, and membrane capacitance in batch and fed-batch CHO processes using dielectric spectroscopy.

    PubMed

    Opel, Cary F; Li, Jincai; Amanullah, Ashraf

    2010-01-01

    Dielectric spectroscopy was used to analyze typical batch and fed-batch CHO cell culture processes. Three methods of analysis (linear modeling, Cole-Cole modeling, and partial least squares regression), were used to correlate the spectroscopic data with routine biomass measurements [viable packed cell volume, viable cell concentration (VCC), cell size, and oxygen uptake rate (OUR)]. All three models predicted offline biomass measurements accurately during the growth phase of the cultures. However, during the stationary and decline phases of the cultures, the models decreased in accuracy to varying degrees. Offline cell radius measurements were unsuccessfully used to correct for the deviations from the linear model, indicating that physiological changes affecting permittivity were occurring. The beta-dispersion was analyzed using the Cole-Cole distribution parameters Deltaepsilon (magnitude of the permittivity drop), f(c) (critical frequency), and alpha (Cole-Cole parameter). Furthermore, the dielectric parameters static internal conductivity (sigma(i)) and membrane capacitance per area (C(m)) were calculated for the cultures. Finally, the relationship between permittivity, OUR, and VCC was examined, demonstrating how the definition of viability is critical when analyzing biomass online. The results indicate that the common assumptions of constant size and dielectric properties used in dielectric analysis are not always valid during later phases of cell culture processes. The findings also demonstrate that dielectric spectroscopy, while not a substitute for VCC, is a complementary measurement of viable biomass, providing useful auxiliary information about the physiological state of a culture. PMID:20730773

  7. Reactive Scheduling in Multipurpose Batch Plants

    NASA Astrophysics Data System (ADS)

    Narayani, A.; Shaik, Munawar A.

    2010-10-01

    Scheduling is an important operation in process industries for improving resource utilization resulting in direct economic benefits. It has a two-fold objective of fulfilling customer orders within the specified time as well as maximizing the plant profit. Unexpected disturbances such as machine breakdown, arrival of rush orders and cancellation of orders affect the schedule of the plant. Reactive scheduling is generation of a new schedule which has minimum deviation from the original schedule in spite of the occurrence of unexpected events in the plant operation. Recently, Shaik & Floudas (2009) proposed a novel unified model for short-term scheduling of multipurpose batch plants using unit-specific event-based continuous time representation. In this paper, we extend the model of Shaik & Floudas (2009) to handle reactive scheduling.

  8. Acoustic microstreaming applied to batch micromixing

    NASA Astrophysics Data System (ADS)

    Manasseh, Richard; Petkovic-Duran, Karolina; Tho, Paul; Zhu, Yonggang; Ooi, Andrew

    2006-01-01

    Experiments are presented in which acoustic microstreaming is investigated and applied to a batch micromixing case appropriate to a point-of-care pathology screening test. The flows presented can be created without complex engineering of contacts or surfaces in the microdevice, which could thus be made disposable. Fundamental flow patterns are measured with a micro-Particle-Image Velocimetry (micro-PIV) system, enabling a quantification of the fluiddynamical processes causing the flows. The design of micromixers based on this principle requires a quantification of the mixing. A simple technique based on digital image processing is presented that enables an assessment of the improvement in mixing due to acoustic microstreaming. The digital image processing technique developed was shown to be non-intrusive, convenient and able to generate useful quantitative data. Preliminary indications are that microstreaming can at least halve the time required to mix quantities of liquid typical of a point-of-care test, and significantly greater improvements seem feasible.

  9. Batch sequential designs for computer experiments

    SciTech Connect

    Moore, Leslie M; Williams, Brian J; Loeppky, Jason L

    2009-01-01

    Computer models simulating a physical process are used in many areas of science. Due to the complex nature of these codes it is often necessary to approximate the code, which is typically done using a Gaussian process. In many situations the number of code runs available to build the Guassian process approximation is limited. When the initial design is small or the underlying response surface is complicated this can lead to poor approximations of the code output. In order to improve the fit of the model, sequential design strategies must be employed. In this paper we introduce two simple distance based metrics that can be used to augment an initial design in a batch sequential manner. In addition we propose a sequential updating strategy to an orthogonal array based Latin hypercube sample. We show via various real and simulated examples that the distance metrics and the extension of the orthogonal array based Latin hypercubes work well in practice.

  10. Reducing variance in batch partitioning measurements

    SciTech Connect

    Mariner, Paul E.

    2010-08-11

    The partitioning experiment is commonly performed with little or no attention to reducing measurement variance. Batch test procedures such as those used to measure K{sub d} values (e.g., ASTM D 4646 and EPA402 -R-99-004A) do not explain how to evaluate measurement uncertainty nor how to minimize measurement variance. In fact, ASTM D 4646 prescribes a sorbent:water ratio that prevents variance minimization. Consequently, the variance of a set of partitioning measurements can be extreme and even absurd. Such data sets, which are commonplace, hamper probabilistic modeling efforts. An error-savvy design requires adjustment of the solution:sorbent ratio so that approximately half of the sorbate partitions to the sorbent. Results of Monte Carlo simulations indicate that this simple step can markedly improve the precision and statistical characterization of partitioning uncertainty.

  11. Batch-to-batch uniformity of bacterial community succession and flavor formation in the fermentation of Zhenjiang aromatic vinegar.

    PubMed

    Wang, Zong-Min; Lu, Zhen-Ming; Yu, Yong-Jian; Li, Guo-Quan; Shi, Jin-Song; Xu, Zheng-Hong

    2015-09-01

    Solid-state fermentation of traditional Chinese vinegar is a mixed-culture refreshment process that proceeds for many centuries without spoilage. Here, we investigated bacterial community succession and flavor formation in three batches of Zhenjiang aromatic vinegar using pyrosequencing and metabolomics approaches. Temporal patterns of bacterial succession in the Pei (solid-state vinegar culture) showed no significant difference (P > 0.05) among three batches of fermentation. In all the batches investigated, the average number of community operational taxonomic units (OTUs) decreased dramatically from 119 ± 11 on day 1 to 48 ± 16 on day 3, and then maintained in the range of 61 ± 9 from day 5 to the end of fermentation. We confirmed that, within a batch of fermentation process, the patterns of bacterial diversity between the starter (took from the last batch of vinegar culture on day 7) and the Pei on day 7 were similar (90%). The relative abundance dynamics of two dominant members, Lactobacillus and Acetobacter, showed high correlation (coefficient as 0.90 and 0.98 respectively) among different batches. Furthermore, statistical analysis revealed dynamics of 16 main flavor metabolites were stable among different batches. The findings validate the batch-to-batch uniformity of bacterial community succession and flavor formation accounts for the quality of Zhenjiang aromatic vinegar. Based on our understanding, this is the first study helps to explain the rationality of age-old artistry from a scientific perspective. PMID:25998816

  12. Thermodynamics of Thermoelectric Materials

    NASA Astrophysics Data System (ADS)

    Doak, Jeff W.

    One challenge facing society is the responsible use of our energy resources. Increasing the efficiency of energy generation provides one path to solving this challenge. One commonality among most current energy generation methods is that waste heat is generated during the generation process. Thermoelectrics can provide a solution to increasing the efficiency of power generation and automotive systems by converting waste heat directly to electricity. The current barrier to implementation of thermoelectric systems is the low efficiencies of underlying thermoelectric materials. The efficiency of a thermoelectric material depends on the electronic and thermal transport properties of the material; a good thermoelectric material should be an electronic conductor and a thermal insulator, traits which generally oppose one another. The thermal properties of a thermoelectric material can be improved by forming nanoscale precipitates with the material which scatter phonons, reducing the thermal conductivity. The electronic properties of a thermoelectric material can be improved by doping the material to increase the electronic conductivity or by alloying the material to favorably alter its band structure. The ability of these chemical modifications to affect the thermoelectric efficiency of material are ultimately governed by the chemical thermodynamics of the system. PbTe is a prototypical thermoelectric material: Alloying PbTe with PbS (or other materials) creates nanostructures which scatter phonons and reduce the lattice thermal conductivity. Doping PbTe with Na increases the hole concentration, increasing the electronic conductivity. In this work, we investigate the thermodynamics of PbTe and similar systems using first principles to understand the underlying mechanisms controlling the formation of nanostructures and the amount of doping allowed in these systems. In this work we: 1) investigate the thermodynamics of pseudo-binary alloys of IV--VI systems to identify the

  13. Cobalt (II) removal from aqueous solutions by natural hemp fibers: Batch and fixed-bed column studies

    NASA Astrophysics Data System (ADS)

    Tofan, Lavinia; Teodosiu, Carmen; Paduraru, Carmen; Wenkert, Rodica

    2013-11-01

    Natural hemp fibers were explored as sorbent for the removal of Co(II) ions from aqueous solutions in batch and dynamic conditions. The batch Co(II) sorption capacity increased up to pH 5, reached the maximum (7.5-7.8 mg/g) over the initial pH of 4.5-5. As the initial concentration of metal ion increased (in the range of 25-200 mg/L), the cobalt uptake was enhanced, but the Co(II) removal efficiency decreased. The batch sorption of Co(II) on the tested hemp follows a pseudo-second order model, which relies on the assumption that the chemisorptions may be the rate-controlling step. The Langmuir model better described the Co(II) sorption process on the natural hemp fibers in comparison with the Freundlich model. This finding complies with the results of fixed-bed studies which emphasize that the optimal solution for describing the behavior of the investigated hemp bed column is provided by the Thomas model. The sorption capacity of the hemp fibers column (15.44 mg/g) performed better than that of the Co(II)-hemp batch system (13.58 mg/g). The possibility to use hemp fibers as an alternative in the Co(II) wastewater treatment should be studied under pilot scale applications, so as to complete the studies concerning the removal efficiencies with technical and economic factors that influence process scale-up.

  14. RNA Thermodynamic Structural Entropy

    PubMed Central

    Garcia-Martin, Juan Antonio; Clote, Peter

    2015-01-01

    Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner’99 and Turner’04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http

  15. Dynamics versus thermodynamics

    NASA Astrophysics Data System (ADS)

    Berdichevsky, V. L.

    1991-05-01

    An effort is made to characterize the ways in which the approaches of statistical mechanics and thermodynamics can be useful in the study of the dynamic behavior of structures. This meditation proceeds through consideration of such wide-ranging and deliberately provocative questions as: 'What are to be considered values in a stress-distribution function?' and 'How many degrees-of-freedom has a beam?'; it then gives attention to the hierarchy of vibrations, the interaction of the mechanism of dissipation with invisible degrees of freedom, and a plausible view of vibrations for the case of small dissipation.

  16. Interfacial solvation thermodynamics.

    PubMed

    Ben-Amotz, Dor

    2016-10-19

    Previous studies have reached conflicting conclusions regarding the interplay of cavity formation, polarizability, desolvation, and surface capillary waves in driving the interfacial adsorptions of ions and molecules at air-water interfaces. Here we revisit these questions by combining exact potential distribution results with linear response theory and other physically motivated approximations. The results highlight both exact and approximate compensation relations pertaining to direct (solute-solvent) and indirect (solvent-solvent) contributions to adsorption thermodynamics, of relevance to solvation at air-water interfaces, as well as a broader class of processes linked to the mean force potential between ions, molecules, nanoparticles, proteins, and biological assemblies. PMID:27545849

  17. Stochastic thermodynamics of resetting

    NASA Astrophysics Data System (ADS)

    Fuchs, Jaco; Goldt, Sebastian; Seifert, Udo

    2016-03-01

    Stochastic dynamics with random resetting leads to a non-equilibrium steady state. Here, we consider the thermodynamics of resetting by deriving the first and second law for resetting processes far from equilibrium. We identify the contributions to the entropy production of the system which arise due to resetting and show that they correspond to the rate with which information is either erased or created. Using Landauer's principle, we derive a bound on the amount of work that is required to maintain a resetting process. We discuss different regimes of resetting, including a Maxwell demon scenario where heat is extracted from a bath at constant temperature.

  18. On thermodynamic and microscopic reversibility

    SciTech Connect

    Crooks, Gavin E.

    2011-07-12

    The word 'reversible' has two (apparently) distinct applications in statistical thermodynamics. A thermodynamically reversible process indicates an experimental protocol for which the entropy change is zero, whereas the principle of microscopic reversibility asserts that the probability of any trajectory of a system through phase space equals that of the time reversed trajectory. However, these two terms are actually synonymous: a thermodynamically reversible process is microscopically reversible, and vice versa.

  19. 27 CFR 19.598 - Dump/batch records.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2013-04-01 2013-04-01 false Dump/batch records. 19.598 Section 19.598 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY ALCOHOL DISTILLED SPIRITS PLANTS Records and Reports Processing Records § 19.598 Dump/batch records. A proprietor...

  20. 40 CFR Table 1 to Subpart H of... - Batch Processes

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 10 2012-07-01 2012-07-01 false Batch Processes 1 Table 1 to Subpart H... Standards for Organic Hazardous Air Pollutants for Equipment Leaks Pt. 63, Subpt. H, Table 1 Table 1 to Subpart H of Part 63—Batch Processes Monitoring Frequency for Equipment Other than Connectors...

  1. 40 CFR Table 1 to Subpart H of... - Batch Processes

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 10 2013-07-01 2013-07-01 false Batch Processes 1 Table 1 to Subpart H... Standards for Organic Hazardous Air Pollutants for Equipment Leaks Pt. 63, Subpt. H, Table 1 Table 1 to Subpart H of Part 63—Batch Processes Monitoring Frequency for Equipment Other than Connectors...

  2. Searching CA Condensates, On-Line and Batch.

    ERIC Educational Resources Information Center

    Kaminecki, Ronald M.; And Others

    Batch mode processing is compared, using cost-effectiveness, with on-line processing for computer-aided searching of chemical abstracts. Consideration for time, need, coverage, and adaptability are found to be the criteria by which a searcher selects a method, and sometimes both methods are used. There is a tradeoff between batch mode's slower…

  3. INTERIOR VIEW SHOWING BATCH SCALES. SERIES OF FIVE SCALES WITH ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    INTERIOR VIEW SHOWING BATCH SCALES. SERIES OF FIVE SCALES WITH SIX DIFFERENT MATERIALS. MIX SIFTED DOWN FROM SILOS ABOVE. INGREDIENTS: SAND, SODA ASH, DOLOMITE LIMESTONE, NEPHELINE SYENITE, SALT CAKE. - Chambers-McKee Window Glass Company, Batch Plant, Clay Avenue Extension, Jeannette, Westmoreland County, PA

  4. System Requirements for On-Line and Batch Retrieval.

    ERIC Educational Resources Information Center

    American Society for Information Science, Washington, DC. Special Interest Group on Computerized Retrieval Services.

    Three papers on system requirements for on-line and batch retrieval presented at the American Society for Information Science (ASIS) annual meeting are included here. At G.D. Searle, data for records related to pharmacology screening are used in a batch system, and an on-line system is used to search information on mutagenic, carcinogenic, and…

  5. 40 CFR Table 1 to Subpart H of... - Batch Processes

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 10 2014-07-01 2014-07-01 false Batch Processes 1 Table 1 to Subpart H... Subpart H of Part 63—Batch Processes Monitoring Frequency for Equipment Other than Connectors Operating time (% of year) Equivalent continuous process monitoring frequency time in use Monthly...

  6. 40 CFR Table 1 to Subpart H of... - Batch Processes

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 9 2010-07-01 2010-07-01 false Batch Processes 1 Table 1 to Subpart H... Subpart H of Part 63—Batch Processes Monitoring Frequency for Equipment Other than Connectors Operating time (% of year) Equivalent continuous process monitoring frequency time in use Monthly...

  7. 40 CFR Table 1 to Subpart H of... - Batch Processes

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 9 2011-07-01 2011-07-01 false Batch Processes 1 Table 1 to Subpart H... Standards for Organic Hazardous Air Pollutants for Equipment Leaks Pt. 63, Subpt. H, Table 1 Table 1 to Subpart H of Part 63—Batch Processes Monitoring Frequency for Equipment Other than Connectors...

  8. IMPLEMENTATION OF SEQUENCING BATCH REACTORS FOR MUNICIPAL TREATMENT

    EPA Science Inventory

    Sequencing batch reactor technology is being implemented at various municipal sites in both the United States and abroad. Total life cycle cost savings, ease of operation, and reliability favor this technology at facilities sized up to 19,000 cu m per day (5 mgd). Batch treatment...

  9. Predictive thermodynamics for condensed phases.

    PubMed

    Glasser, Leslie; Jenkins, H Donald Brooke

    2005-10-01

    Thermodynamic information is central to assessment of the stability and reactivity of materials. However, because of both the demanding nature of experimental thermodynamics and the virtually unlimited number of conceivable compounds, experimental data is often unavailable or, for hypothetical materials, necessarily impossible to obtain. We describe simple procedures for thermodynamic prediction for condensed phases, both ionic and organic covalent, principally via formula unit volumes (or density); our volume-based approach (VBT) provides a new thermodynamic tool for such assessment. These methods, being independent of detailed knowledge of crystal structures, are applicable to liquids and amorphous materials as well as to crystalline solids. Examples of their use are provided. PMID:16172676

  10. Thermodynamic properties of cerium mononitride

    NASA Astrophysics Data System (ADS)

    Aristova, N. M.; Belov, G. V.

    2014-09-01

    Data on the thermodynamic properties of cerium mononitride CeN in the solid state are analyzed. Relations approximating the temperature dependence of the thermodynamic functions of CeN(cr.) in the temperature range of 298.15-2900 K are obtained. Using the relations of thermodynamics known for this temperature range, the thermodynamic functions of cerium mononitride (entropy, Gibbs energy, and enthalpy variation) are calculated. The resulting data is entered into the database of the IVTANTHERMO software package and is used to analyze the thermal stability of CeN(cr.), and to estimate its boiling point at atmospheric pressure.

  11. Thermodynamics. [algebraic structure

    NASA Technical Reports Server (NTRS)

    Zeleznik, F. J.

    1976-01-01

    The fundamental structure of thermodynamics is purely algebraic, in the sense of atopological, and it is also independent of partitions, composite systems, the zeroth law, and entropy. The algebraic structure requires the notion of heat, but not the first law. It contains a precise definition of entropy and identifies it as a purely mathematical concept. It also permits the construction of an entropy function from heat measurements alone when appropriate conditions are satisfied. Topology is required only for a discussion of the continuity of thermodynamic properties, and then the weak topology is the relevant topology. The integrability of the differential form of the first law can be examined independently of Caratheodory's theorem and his inaccessibility axiom. Criteria are established by which one can determine when an integrating factor can be made intensive and the pseudopotential extensive and also an entropy. Finally, a realization of the first law is constructed which is suitable for all systems whether they are solids or fluids, whether they do or do not exhibit chemical reactions, and whether electromagnetic fields are or are not present.

  12. Thermodynamics of geothermal fluids

    SciTech Connect

    Rogers, P.S.Z.

    1981-03-01

    A model to predict the thermodynamic properties of geothermal brines, based on a minimum amount of experimental data on a few key systems, is tested. Volumetric properties of aqueous sodium chloride, taken from the literature, are represented by a parametric equation over the range 0 to 300{sup 0}C and 1 bar to 1 kbar. Density measurements at 20 bar needed to complete the volumetric description also are presented. The pressure dependence of activity and thermal properties, derived from the volumetric equation, can be used to complete an equation of state for sodium chloride solutions. A flow calorimeter, used to obtain heat capacity data at high temperatures and pressures, is described. Heat capacity measurements, from 30 to 200{sup 0}C and 1 bar to 200 bar, are used to derive values for the activity coefficient and other thermodynamic properties of sodium sulfate solutions as a function of temperature. Literature data on the solubility of gypsum in mixed electrolyte solutions have been used to evaluate model parameters for calculating gypsum solubility in seawater and natural brines. Predictions of strontium and barium sulfate solubility in seawater also are given.

  13. Dissipative work in thermodynamics

    NASA Astrophysics Data System (ADS)

    Anacleto, Joaquim; Pereira, Mário G.; Ferreira, J. M.

    2011-01-01

    This work explores the concept of dissipative work and shows that such a kind of work is an invariant non-negative quantity. This feature is then used to get a new insight into adiabatic irreversible processes; for instance, why the final temperature in any adiabatic irreversible process is always higher than that attained in a reversible process having the same initial state and equal final pressure or volume. Based on the concept of identical processes, numerical simulations of adiabatic irreversible compression and expansion were performed, enabling a better understanding of differences between configuration and dissipative work. The positive nature of the dissipative work was used to discuss the case where the dissipated energy ends up in the surroundings, while the invariance of such work under a system-surroundings interchange enabled the resulting modification in thermodynamical quantities to be determined. The ideas presented in this study are primarily intended for undergraduate students with a background in thermodynamics, but they may also be of interest to graduate students and teachers.

  14. Thermodynamics of Error Correction

    NASA Astrophysics Data System (ADS)

    Sartori, Pablo; Pigolotti, Simone

    2015-10-01

    Information processing at the molecular scale is limited by thermal fluctuations. This can cause undesired consequences in copying information since thermal noise can lead to errors that can compromise the functionality of the copy. For example, a high error rate during DNA duplication can lead to cell death. Given the importance of accurate copying at the molecular scale, it is fundamental to understand its thermodynamic features. In this paper, we derive a universal expression for the copy error as a function of entropy production and work dissipated by the system during wrong incorporations. Its derivation is based on the second law of thermodynamics; hence, its validity is independent of the details of the molecular machinery, be it any polymerase or artificial copying device. Using this expression, we find that information can be copied in three different regimes. In two of them, work is dissipated to either increase or decrease the error. In the third regime, the protocol extracts work while correcting errors, reminiscent of a Maxwell demon. As a case study, we apply our framework to study a copy protocol assisted by kinetic proofreading, and show that it can operate in any of these three regimes. We finally show that, for any effective proofreading scheme, error reduction is limited by the chemical driving of the proofreading reaction.

  15. Thermodynamics of diffusion

    NASA Astrophysics Data System (ADS)

    Matuszak, Daniel

    Diffusion is the migration of molecules in the reference frame of a system's center of mass and it is a physical process that occurs in all chemical and biological systems. Diffusion generally involves intermolecular interactions that lead to clustering, adsorption, and phase transitions; as such, it is difficult to describe theoretically on a molecular level in systems containing both intermolecular repulsions and attractions. This work describes a simple thermodynamic approach that accounts for intermolecular attractions and repulsions (much like how the van der Waals equation does) to model and help provide an understanding of diffusion. The approach is an extension of the equilibrium Lattice Density Functional Theory of Aranovich and Donohue; it was developed with Mason and Lonsdale's guidelines on how to construct and test a transport theory. In the framework of lattice fluids, this new approach gives (a) correct equilibrium limits, (b) Fickian behavior for non-interacting systems, (c) correct departures from Fickian behavior in non-ideal systems, (d) the correct Maxwell-Stefan formulation, (e) symmetry behavior upon re-labeling species, (f) reasonable non-equilibrium phase behavior, (g) agreement with Molecular Dynamics simulations, (h) agreement with the theory of non-equilibrium thermodynamics, (i) a vanishing diffusive flux at the critical point, and (j) other qualitatively-correct behaviors when applied to problems in porous membranes and in packed beds.

  16. Putrescine uptake in saintpaulia petals.

    PubMed

    Bagni, N; Pistocchi, R

    1985-02-01

    Putrescine uptake and the kinetics of this uptake were studied in petals of Saintpaulia ionantha Wendl. Uptake experiments of [(3)H] or [(14)C] putrescine were done on single petals at room temperature at various pH values. The results show that putrescine uptake occurs against a concentration gradient at low external putrescine concentration (0.5-100 micromolar) and follows a concentration gradient at higher external putrescine concentrations (100 micromolar to 100 millimolar). 2,4-Dinitrophenol and carbonylcyanide-m-chlorophenylhydrazone, two uncouplers, had no effect on putrescine uptake. Uptake rates were constant for 2 hours, reaching a maximum after 3 to 4 hours. Putrescine uptake depended markedly on the external pH and two maxima were observed: at low external concentrations of putrescine, the optimum was at pH 5 to 5.5; at higher concentrations the optimum was at pH 8. PMID:16664065

  17. Dynamic Simulation of Batch Photocatalytic Reactor (BPR) for Wastewater Treatment

    NASA Astrophysics Data System (ADS)

    Dutta, Suman

    2012-08-01

    Reactive dyes discharged from dyehouse causes a serious environmental problem. UV/TiO2 photocatalysis has been employed effectively for these organic dyes removal from dye-house effluent. This process produces less amount of non-toxic final product. In this paper a photocatalytic reactor has been designed for Reactive red 198 (RR198) removal from aqueous solution. The reactor is operating in batch mode. After each batch, TiO2 catalyst has been separated and recycled in the next batch. Mathematical model equation of this batch photocatalytic reactor (BPR) has been developed considering Langmuir-Hinshelwood kinetics. Simulation of BPR has been carried out using fourth order Runge-Kutta (RK) method and fifth order RK method (Butcher method). This simulation results can be used to develop an automatic photocatlytic reactor for industrial wastewater treatment. Catalyst activity decay and its effect on each batch have been incorporated in this model.

  18. Effect of glass-batch makeup on the melting process

    SciTech Connect

    Hrma, Pavel R; Schweiger, Michael J; Humrickhouse, Carissa J; Moody, J Adam; Tate, Rachel M; Rainsdon, Timothy T; Tegrotenhuis, Nathan E; Arrigoni, Benjamin M; Marcial, Jose; Rodriguez, Carmen P; Tincher, Benjamin

    2010-03-29

    The response of a glass batch to heating is determined by the batch makeup and in turn determines the rate of melting. Batches formulated for a high-alumina nuclear waste to be vitrified in an all-electric melter were heated at a constant temperature-increase rate to determine changes in melting behavior in response to the selection of batch chemicals and silica grain-size as well as the addition of heat-generating reactants. The type of batch materials and the size of silica grains determine how much, if any, primary foam occurs during melting. Small quartz grains, 5-μm in size, caused extensive foaming because their major portion dissolved at temperatures <800°C, contributing to the formation of viscous glass-forming melt that trapped evolving batch gases. Primary foam did not occur in batches with larger quartz grains, ±75 μm in size, because their major portion dissolved at temperatures >800°C when batch gases no longer evolved. The exothermal reaction of nitrates with sucrose was ignited at a temperature as low as 160°C and caused a temporary jump in temperature of several hundred degrees. Secondary foam, the source of which is oxygen from redox reactions, occurred in all batches of a limited composition variation involving five oxides, B2O3, CaO, Li2O, MgO, and Na2O. The foam volume at the maximum volume-increase rate was a weak function of temperature and melt basicity. Neither the batch makeup nor the change in glass composition had a significant impact on the dissolution of silica grains. The impacts of primary foam generation on glass homogeneity and the rate of melting in large-scale continuous furnaces have yet to be established via mathematical modeling and melter experiments.

  19. Biochemical Thermodynamics under near Physiological Conditions

    ERIC Educational Resources Information Center

    Mendez, Eduardo

    2008-01-01

    The recommendations for nomenclature and tables in Biochemical Thermodynamics approved by IUBMB and IUPAC in 1994 can be easily introduced after the chemical thermodynamic formalism. Substitution of the usual standard thermodynamic properties by the transformed ones in the thermodynamic equations, and the use of appropriate thermodynamic tables…

  20. Biodenitrification in Sequencing Batch Reactors. Final report

    SciTech Connect

    Silverstein, J.

    1996-01-23

    One plan for stabilization of the Solar Pond waters and sludges at Rocky Flats Plant (RFP), is evaporation and cement solidification of the salts to stabilize heavy metals and radionuclides for land disposal as low-level mixed waste. It has been reported that nitrate (NO{sub 3}{sub {minus}}) salts may interfere with cement stabilization of heavy metals and radionuclides. Therefore, biological nitrate removal (denitrification) may be an important pretreatment for the Solar Pond wastewaters at RFP, improving the stability of the cement final waste form, reducing the requirement for cement (or pozzolan) additives and reducing the volume of cemented low-level mixed waste requiring ultimate disposal. A laboratory investigation of the performance of the Sequencing Batch Reactor (SBR) activated sludge process developed for nitrate removal from a synthetic brine typical of the high-nitrate and high-salinity wastewaters in the Solar Ponds at Rocky Flats Plant was carried out at the Environmental Engineering labs at the University of Colorado, Boulder, between May 1, 1994 and October 1, 1995.

  1. Kinetic study of batch and fed-batch enzymatic saccharification of pretreated substrate and subsequent fermentation to ethanol

    PubMed Central

    2012-01-01

    Background Enzymatic hydrolysis, the rate limiting step in the process development for biofuel, is always hampered by its low sugar concentration. High solid enzymatic saccharification could solve this problem but has several other drawbacks such as low rate of reaction. In the present study we have attempted to enhance the concentration of sugars in enzymatic hydrolysate of delignified Prosopis juliflora, using a fed-batch enzymatic hydrolysis approach. Results The enzymatic hydrolysis was carried out at elevated solid loading up to 20% (w/v) and a comparison kinetics of batch and fed-batch enzymatic hydrolysis was carried out using kinetic regimes. Under batch mode, the actual sugar concentration values at 20% initial substrate consistency were found deviated from the predicted values and the maximum sugar concentration obtained was 80.78 g/L. Fed-batch strategy was implemented to enhance the final sugar concentration to 127 g/L. The batch and fed-batch enzymatic hydrolysates were fermented with Saccharomyces cerevisiae and ethanol production of 34.78 g/L and 52.83 g/L, respectively, were achieved. Furthermore, model simulations showed that higher insoluble solids in the feed resulted in both smaller reactor volume and shorter residence time. Conclusion Fed-batch enzymatic hydrolysis is an efficient procedure for enhancing the sugar concentration in the hydrolysate. Restricting the process to suitable kinetic regimes could result in higher conversion rates. PMID:22433563

  2. Assessment of CO₂ adsorption capacity on activated carbons by a combination of batch and dynamic tests.

    PubMed

    Balsamo, Marco; Silvestre-Albero, Ana; Silvestre-Albero, Joaquín; Erto, Alessandro; Rodríguez-Reinoso, Francisco; Lancia, Amedeo

    2014-05-27

    In this work, batch and dynamic adsorption tests are coupled for an accurate evaluation of CO2 adsorption performance of three different activated carbons (AC) obtained from olive stones by chemical activation followed by physical activation with CO2 at varying times (i.e., 20, 40, and 60 h). Kinetic and thermodynamic CO2 adsorption tests from simulated flue gas at different temperatures and CO2 pressures are carried out under both batch (a manometric equipment operating with pure CO2) and dynamic (a lab-scale fixed-bed column operating with a CO2/N2 mixture) conditions. The textural characterization of the AC samples shows a direct dependence of both micropore and ultramicropore volume on the activation time; hence, AC60 has the higher contribution. The adsorption tests conducted at 273 and 293 K showed that when CO2 pressure is lower than 0.3 bar, the lower the activation time, the higher CO2 adsorption capacity; a ranking of ω(eq)(AC20) > ω(eq)(AC40) > ω(eq)(AC60) can be exactly defined when T = 293 K. This result is likely ascribed to the narrower pore size distribution of the AC20 sample, whose smaller pores are more effective for CO2 capture at higher temperature and lower CO2 pressure, the latter representing operating conditions of major interest for decarbonation of flue gas effluent. Moreover, the experimental results obtained from dynamic tests confirm the results derived from the batch tests in terms of CO2 adsorption capacity. It is important to highlight the fact that the adsorption of N2 on the synthesized AC samples can be considered to be negligible. Finally, the importance of proper analysis for data characterization and adsorption experimental results is highlighted for the correct assessment of the CO2 removal performance of activated carbons at different CO2 pressures and operating temperatures. PMID:24784997

  3. Single-Patient Molecular Testing with NanoString nCounter Data Using a Reference-Based Strategy for Batch Effect Correction

    PubMed Central

    Talhouk, Aline; Kommoss, Stefan; Mackenzie, Robertson; Cheung, Martin; Leung, Samuel; Chiu, Derek S.; Kalloger, Steve E.; Huntsman, David G.; Chen, Stephanie; Intermaggio, Maria; Gronwald, Jacek; Chan, Fong C.; Ramus, Susan J.; Steidl, Christian; Scott, David W.; Anglesio, Michael S.

    2016-01-01

    A major weakness in many high-throughput genomic studies is the lack of consideration of a clinical environment where one patient at a time must be evaluated. We examined generalizable and platform-specific sources of variation from NanoString gene expression data on both ovarian cancer and Hodgkin lymphoma patients. A reference-based strategy, applicable to single-patient molecular testing is proposed for batch effect correction. The proposed protocol improved performance in an established Hodgkin lymphoma classifier, reducing batch-to-batch misclassification while retaining accuracy and precision. We suggest this strategy may facilitate development of NanoString and similar molecular assays by accelerating prospective validation and clinical uptake of relevant diagnostics. PMID:27096160

  4. Nonequilibrium Thermodynamics in Biological Systems

    NASA Astrophysics Data System (ADS)

    Aoki, I.

    2005-12-01

    1. Respiration Oxygen-uptake by respiration in organisms decomposes macromolecules such as carbohydrate, protein and lipid and liberates chemical energy of high quality, which is then used to chemical reactions and motions of matter in organisms to support lively order in structure and function in organisms. Finally, this chemical energy becomes heat energy of low quality and is discarded to the outside (dissipation function). Accompanying this heat energy, entropy production which inevitably occurs by irreversibility also is discarded to the outside. Dissipation function and entropy production are estimated from data of respiration. 2. Human body From the observed data of respiration (oxygen absorption), the entropy production in human body can be estimated. Entropy production from 0 to 75 years old human has been obtained, and extrapolated to fertilized egg (beginning of human life) and to 120 years old (maximum period of human life). Entropy production show characteristic behavior in human life span : early rapid increase in short growing phase and later slow decrease in long aging phase. It is proposed that this tendency is ubiquitous and constitutes a Principle of Organization in complex biotic systems. 3. Ecological communities From the data of respiration of eighteen aquatic communities, specific (i.e. per biomass) entropy productions are obtained. They show two phase character with respect to trophic diversity : early increase and later decrease with the increase of trophic diversity. The trophic diversity in these aquatic ecosystems is shown to be positively correlated with the degree of eutrophication, and the degree of eutrophication is an "arrow of time" in the hierarchy of aquatic ecosystems. Hence specific entropy production has the two phase: early increase and later decrease with time. 4. Entropy principle for living systems The Second Law of Thermodynamics has been expressed as follows. 1) In isolated systems, entropy increases with time and

  5. Thermodynamics of the Earth

    NASA Astrophysics Data System (ADS)

    Stacey, Frank D.

    2010-04-01

    Applications of elementary thermodynamic principles to the dynamics of the Earth lead to robust, quantitative conclusions about the tectonic effects that arise from convection. The grand pattern of motion conveys deep heat to the surface, generating mechanical energy with a thermodynamic efficiency corresponding to that of a Carnot engine operating over the adiabatic temperature gradient between the heat source and sink. Referred to the total heat flux derived from the Earth's silicate mantle, the efficiency is 24% and the power generated, 7.7 × 1012 W, causes all the material deformation apparent as plate tectonics and the consequent geological processes. About 3.5% of this is released in seismic zones but little more than 0.2% as seismic waves. Even major earthquakes are only localized hiccups in this motion. Complications that arise from mineral phase transitions can be used to illuminate details of the motion. There are two superimposed patterns of convection, plate subduction and deep mantle plumes, driven by sources of buoyancy, negative and positive respectively, at the top and bottom of the mantle. The patterns of motion are controlled by the viscosity contrasts (>104 : 1) at these boundaries and are self-selected as the least dissipative mechanisms of heat transfer for convection in a body with very strong viscosity variation. Both are subjects of the thermodynamic efficiency argument. Convection also drives the motion in the fluid outer core that generates the geomagnetic field, although in that case there is an important energy contribution by compositional separation, as light solute is rejected by the solidifying inner core and mixed into the outer core, a process referred to as compositional convection. Uncertainty persists over the core energy balance because thermal conduction is a drain on core energy that has been a subject of diverse estimates, with attendant debate over the need for radiogenic heat in the core. The geophysical approach to

  6. Morphologically structured model for antitumoral retamycin production during batch and fed-batch cultivations of Streptomyces olindensis.

    PubMed

    Giudici, Reinaldo; Pamboukian, Celso R D; Facciotti, Maria Cândida R

    2004-05-20

    A morphologically structured model is proposed to describe trends in biomass growth, substrate consumption, and antitumoral retamycin production during batch and fed-batch cultivations of Streptomyces olindensis. Filamentous biomass is structured into three morphological compartments (apical, subapical, and hyphal), and the production of retamycin, a secondary metabolite, is assumed to take place in the subapical cell compartment. Model accounts for the effect of glucose as well as complex nitrogen source on both the biomass growth and retamycin production. Laboratory data from bench-scale batch and fed-batch fermentations were used to estimate some model parameters by nonlinear regression. The predictive capability of the model was then tested for additional fed-batch and continuous experiments not used in the previous fitting procedure. The model predictions show fair agreement to the experimental data. The proposed model can be useful for further studies on process optimization and control. PMID:15112294

  7. Comments to Irreversibility in Thermodynamics

    NASA Technical Reports Server (NTRS)

    Zak, M.

    1995-01-01

    The problem of irreversibility in thermodynamics was revisited and analyzed on the microscopic, stochastic, and macroscopic levels of description. It was demonstrated that Newtonian dynamics can be represented in the Reynolds form, a new phenomenological force with non-Lipschitz properties was introduced, and additional non- Lipschitz thermodynamical forces were incorporated into macroscopic models of transport phenomena.

  8. Thermodynamics--A Practical Subject.

    ERIC Educational Resources Information Center

    Jones, Hugh G.

    1984-01-01

    Provides a simplified, synoptic overview of the area of thermodynamics, enumerating and explaining the four basic laws, and introducing the mathematics involved in a stepwise fashion. Discusses such basic tools of thermodynamics as enthalpy, entropy, Helmholtz free energy, and Gibbs free energy, and their uses in problem solving. (JM)

  9. Thermodynamics from Car to Kitchen

    ERIC Educational Resources Information Center

    Auty, Geoff

    2014-01-01

    The historical background to the laws of thermodynamics is explained using examples we can all observe in the world around us, focusing on motorised transport, refrigeration and solar heating. This is not to be considered as an academic article. The purpose is to improve understanding of thermodynamics rather than impart new knowledge, and for…

  10. Ch. 33 Modeling: Computational Thermodynamics

    SciTech Connect

    Besmann, Theodore M

    2012-01-01

    This chapter considers methods and techniques for computational modeling for nuclear materials with a focus on fuels. The basic concepts for chemical thermodynamics are described and various current models for complex crystalline and liquid phases are illustrated. Also included are descriptions of available databases for use in chemical thermodynamic studies and commercial codes for performing complex equilibrium calculations.

  11. Thermodynamics and cement science

    SciTech Connect

    Damidot, D.; Lothenbach, B.; Herfort, D.; Glasser, F.P.

    2011-07-15

    Thermodynamics applied to cement science has proved to be very valuable. One of the most striking findings has been the extent to which the hydrate phases, with one conspicuous exception, achieve equilibrium. The important exception is the persistence of amorphous C-S-H which is metastable with respect to crystalline calcium silicate hydrates. Nevertheless C-S-H can be included in the scope of calculations. As a consequence, from comparison of calculation and experiment, it appears that kinetics is not necessarily an insuperable barrier to engineering the phase composition of a hydrated Portland cement. Also the sensitivity of the mineralogy of the AFm and AFt phase compositions to the presence of calcite and to temperature has been reported. This knowledge gives a powerful incentive to develop links between the mineralogy and engineering properties of hydrated cement paste and, of course, anticipates improvements in its performance leading to decreasing the environmental impacts of cement production.

  12. Modern problems of thermodynamics

    NASA Astrophysics Data System (ADS)

    Novikov, I. I.

    2012-12-01

    The role of energy and methods of its saving for the development of human society and life are analyzed. The importance of future use of space energy flows and energy of water and air oceans is emphasized. The authors consider the idea of the unit for production of electric energy and pure substances using sodium chloride which reserves are limitless on the planet. Looking retrospectively at the development of power engineering from the elementary fire to modern electric power station, we see that the used method of heat production, namely by direct interaction of fuel and oxidizer, is the simplest. However, it may be possible to combust coal, i.e., carbon in salt melt, for instance, sodium chloride that would be more rational and efficient. If the stated problems are solved positively, we would master all energy properties of the substance; and this is the main problem of thermodynamics being one of the sciences on energy.

  13. Thermodynamics of Protein Aggregation

    NASA Astrophysics Data System (ADS)

    Osborne, Kenneth L.; Barz, Bogdan; Bachmann, Michael; Strodel, Birgit

    Amyloid protein aggregation characterizes many neurodegenerative disorders, including Alzheimer's, Parkinson's, and Creutz- feldt-Jakob disease. Evidence suggests that amyloid aggregates may share similar aggregation pathways, implying simulation of full-length amyloid proteins is not necessary for understanding amyloid formation. In this study we simulate GNNQQNY, the N-terminal prion-determining domain of the yeast protein Sup35 to investigate the thermodynamics of structural transitions during aggregation. We use a coarse-grained model with replica-exchange molecular dynamics to investigate the association of 3-, 6-, and 12-chain GNNQQNY systems and we determine the aggregation pathway by studying aggregation states of GN- NQQNY. We find that the aggregation of the hydrophilic GNNQQNY sequence is mainly driven by H-bond formation, leading to the formation of /3-sheets from the very beginning of the assembly process. Condensation (aggregation) and ordering take place simultaneously, which is underpinned by the occurrence of a single heat capacity peak only.

  14. Chemical and process thermodynamics

    SciTech Connect

    Kyle, B.G.

    1984-01-01

    The book is intended mainly to be used as a text for undergraduate chemical engineering studies. Presented is a unified and up-to-date treatment of the major chemical and engineering applications of thermodynamics. Special features include a four chapter sequence on phase equilibrium which begins with simple concepts discussions. More difficult concepts are introduced gradually. Partial molar properties and infinite dilution activity coefficients appear toward the end of the sequence. Solution behavior, including activity coefficients via UNIVAC, is covered. Chapter 14 discusses heat exchange, separation processes, and second law analysis of chemical processes. Chapter 12 provides a firm foundation for chemical equilibrium, and Chapter 13 includes complex chemical equilibrium and free energy minimization. A selection of end-of-chapter problems is included to help the student apply principles and concepts in practical situations.

  15. Extensive quantities in thermodynamics

    NASA Astrophysics Data System (ADS)

    Mannaerts, Sebastiaan H.

    2014-05-01

    A literature survey shows little consistency in the definitions of the term ‘extensive quantity’ (a.k.a. extensive property) as used in thermodynamics. A majority assumes that extensive quantities are those that are proportional to mass. Taking the mathematical meaning of proportional and taking the ‘mass’ to be that of the system or subsystem, it is shown that the proportionality assumption is only correct for a few extensive quantities under condition of constant composition. A large subset of extensive quantities are completely independent of mass; for most systems extensive quantities are not proportional to mass, but mass is the (extensive) constant of proportionality. The definition by IUPAC, based on the additivity of extensive quantities, is the preferred baseline for discussing this subject. It is noted however, that two types of additivity need to be distinguished and that a few intensive quantities are also additive. This paper leaves several interesting questions open to further scrutiny.

  16. Thermodynamics of feldspathoid solutions

    NASA Astrophysics Data System (ADS)

    Sack, Richard O.; Ghiorso, Mark S.

    We have developed models for the thermody-namic properties of nephelines, kalsilites, and leucites in the simple system NaAlSiO4-KAlSiO4-Ca0.5AlSiO4-SiO2-H2O that are consistent with all known constraints on subsolidus equilibria and thermodynamic properties, and have integrated them into the existing MELTS software package. The model for nepheline is formulated for the simplifying assumptions that (1) a molecular mixing-type approximation describes changes in the configurational entropy associated with the coupled exchange substitutions □Si?NaAl and □Ca? Na2 and that (2) Na+ and K+ display long-range non-convergent ordering between a large cation and the three small cation sites in the Na4Al4Si4O16 formula unit. Notable features of the model include the prediction that the mineral tetrakalsilite (``panunzite'', sensu stricto) results from anti-ordering of Na and K between the large cation and the three small cation sites in the nepheline structure at high temperatures, an average dT/dP slope of about 55°/kbar for the reaction over the temperature and pressure ranges 800-1050 °C and 500-5000 bars, roughly symmetric (i.e. quadratic) solution behavior of the K-Na substitution along joins between fully ordered components in nepheline, and large positive Gibbs energies for the nepheline reciprocal reactions and and for the leucite reciprocal reaction

  17. Thermodynamic similarity of physical systems

    NASA Astrophysics Data System (ADS)

    Ciccariello, Salvino

    2016-02-01

    Two different physical systems A and B are said to be thermodynamically similar if one of the thermodynamic potentials of system A is proportional to the corresponding potential of B after expressing the state variables of system A in terms of those of B by a transformation reversible throughout the state variables' domain. The thermodynamic similarity has a transitive nature so that physical systems divide into classes of thermodynamically similar systems that have similar phase diagrams. Considering the simplest physical systems, one finds that a class of thermodynamically similar systems is formed by the ideal classical gas, the Fermi and the Bose ideal quantum gases, whatever the dimensions of the confining spaces, and the one dimensional hard rod gas. Another class is formed by the physical systems characterized by interactions that coincide by a scaling of the distance and the coupling constant.

  18. [Long-Term Inhibition of FNA on Aerobic Phosphate Uptake and Variation of Phosphorus Uptake Properties of the Sludge].

    PubMed

    Ma, Juan; Li, Lu; Yu, Xiao-jun; Sun, Lei-jun; Sun, Hong-wei; Chen, Yong-zhi

    2015-10-01

    An alternating anaerobic/oxic ( An/O) sequencing batch reactor (SBR) was employed to investigate the long-term inhibitory effect of free nitrous acid (FNA) on aerobic phosphorus uptake performance and variation of phosphorus uptake properties of the sludge by adding nitrite. The reactor was started up under the condition of 21-23 degrees C. The results showed that FNA had no impact on phosphate release and uptake capacities of the sludge. However, the specific phosphate release/uptake rates was found to be higher. As FNA concentration (measure by HNO2-N) was lower than 0.53 x 10(-3) mg x L(-1), phosphorus removal efficiency of the system was higher than 96.9%. When the FNA concentration was increased to 0.99 x 10(-3) mg x L(-1), 1.46 x 10(-3) mg x L(-1) and 1.94 x 10(-3) mg x L(-1), the phosphorus removal performance deteriorated rapidly. The phosphorus removal efficiency was recovered to 64.42%, 67.33% and 44.14% after 50, 12 and 30 days, respectively, which implied the deterioration of phosphorus removal performance caused by FNA inhibition could be recovered and long-term acclimation could shorten the recovery process. Notably, increasing nitrite consumption appeared during aerobic phase with the concentration of FNA below 1.46 x 10(-3) mg x L(-1). It was also observed that the phosphorus uptake properties of the sludge varied after long-term inhibition. Nitrate and nitrite type anoxic phosphorus uptake capacity was increased by 3.35 and 3.86 times, respectively, suggesting long-term dosing FNA may facilitate the denitrifying of polyphosphate in organisms utilizing nitrite as electron acceptor. Moreover, long-term acclimation favored sludge settling. PMID:26841613

  19. Pulsed feeding during fed-batch Aspergillus oryzae fermentation leads to improved oxygen mass transfer.

    PubMed

    Bhargava, Swapnil; Wenger, Kevin S; Marten, Mark R

    2003-01-01

    Productivity in many fungal fermentations is detrimentally affected by high broth viscosity and consequent reduced oxygen mass transfer capacity. The goal here was to determine whether pulsed feeding of limiting carbon in a fungal fermentation could lead to reduced viscosity and improved oxygen mass transfer. As a model, an industrially relevant recombinant strain of Aspergillus oryzae was grown in carbon-limited, fed-batch mode. Maltodextrin was used as a carbon source and was added either continuously or in 1.5-min pulses, 3.5 min apart. In both feeding modes the same total amount of carbon was added, and carbon feed rate was at sufficiently low levels to ensure cultures were always carbon-limited. Compared to continuous feeding, pulsed addition of substrate led to smaller fungal elements, which resulted in a significant reduction in broth viscosity. This in turn led to higher dissolved oxygen concentrations and increased oxygen uptake rates during pulsed feeding. PMID:12790687

  20. FRIT DEVELOPMENT FOR SLUDGE BATCH 6

    SciTech Connect

    Fox, K.; Edwards, T.; Zamecnik, J.

    2010-05-13

    The Savannah River National Laboratory (SRNL) evaluated a large number of Sludge Batch 6 (SB6) composition projections to support frit optimization for SB6 vitrification at the Defense Waste Processing Facility (DWPF). The evaluations discussed in this report occurred over a period of about 4 months, and included about 40 composition projections, developed by both Savannah River Remediation (SRR) and SRNL. Paper study assessments were used to evaluate the sludge composition projections with arrays of potential frit compositions using the predictive models in the DWPF Product Composition Control System (PCCS). Both nominal sludge compositions and sludge compositions with anticipated compositional variation were considered. The model predictions were used to identify candidate frit compositions for each SB6 projection and to provide some guidance to SRR on washing and blending strategies for SB6 preparation. This report presents a chronological review of this process and summarizes the findings at each stage. Following initial feedback from this work, the number of washes in Tank 51 was reduced to increase the projected sodium concentration in SB6. Analyses of predicted frit performance before and after a potential decant of Tank 40 showed that the post-decant SB6 composition would be difficult to process with any frit composition and that this scenario should be avoided. Based on the most recent SB6 projections (February 2010 SB6 composition projections developed at SRNL using the measured SB6 qualification sample composition and the revised Tank Farm washing plan), Frit 418 appears to be viable for SB6 processing at a target waste loading of 36%. A Nominal Stage PCCS Measurement Acceptability Region (MAR) assessment gave projected operating windows of 25-41% waste loading, limited by predictions of nepheline crystallization. The projected operating window is reduced to 25-38% waste loading when anticipated compositional variation is considered, again limited by

  1. Radionuclide migration laboratory studies for validation of batch sorption data

    SciTech Connect

    Triay, I.R.; Mitchell, A.J.; Ott, M.A.

    1991-12-31

    Advective and diffusive migration experiments (within the Dynamic Transport Column Experiments and Diffusion Studies of the Yucca Mountain Site Characterization Project) involve utilizing crushed material, intact, and fractured tuff in order to test and improve (if necessary) transport models by experimentally observing the migration of sorbing and non-sorbing radionuclides on a laboratory scale. Performing a validation of the sorption data obtained with batch techniques (within the Batch Sorption Study) is an integral part of the mission of the Dynamic Transport Column Experiments and Diffusion Studies. In this paper the work scope of the radionuclide migration laboratory experiments (as they apply to validation of batch sorption data) is reviewed.

  2. Kinetic and thermodynamic study of the liquid-phase etherification of isoamylenes with methanol

    SciTech Connect

    Piccoli, R.L. ); Lovisi, H.R. )

    1995-02-01

    The kinetics and thermodynamics of liquid-phase etherification of isoamylenes with methanol on ion exchange catalyst (Amberlyst 15) were studied. Thermodynamic properties and rate data were obtained in a batch reactor operating under 1,013 kPa and 323--353 K. The kinetic equation was modeled following the Langmuir-Hinshelwood-Hougen-Watson formalism according to a proposed surface mechanism where the rate-controlling step is the surface reaction. According to the experimental results, methanol adsorbs very strongly on the active sites, covering them completely, and thus the reaction follows an apparent first-order behavior. The isoamylenes, according to the proposed mechanism, adsorb simultaneously on the same single active center already occupied by methanol, migrating through the liquid layer formed by the alcohol around the catalyst to react in the acidic site. From the proposed mechanism a model was suggested and the kinetic and thermodynamic parameters were obtained using nonlinear estimation methods.

  3. Vacuolar Ca(2+) uptake.

    PubMed

    Pittman, Jon K

    2011-08-01

    Calcium transporters that mediate the removal of Ca(2+) from the cytosol and into internal stores provide a critical role in regulating Ca(2+) signals following stimulus induction and in preventing calcium toxicity. The vacuole is a major calcium store in many organisms, particularly plants and fungi. Two main pathways facilitate the accumulation of Ca(2+) into vacuoles, Ca(2+)-ATPases and Ca(2+)/H(+) exchangers. Here I review the biochemical and regulatory features of these transporters that have been characterised in yeast and plants. These Ca(2+) transport mechanisms are compared with those being identified from other vacuolated organisms including algae and protozoa. Studies suggest that Ca(2+) uptake into vacuoles and other related acidic Ca(2+) stores occurs by conserved mechanisms which developed early in evolution. PMID:21310481

  4. Recombinant glucose uptake system

    DOEpatents

    Ingrahm, Lonnie O.; Snoep, Jacob L.; Arfman, Nico

    1997-01-01

    Recombinant organisms are disclosed that contain a pathway for glucose uptake other than the pathway normally utilized by the host cell. In particular, the host cell is one in which glucose transport into the cell normally is coupled to PEP production. This host cell is transformed so that it uses an alternative pathway for glucose transport that is not coupled to PEP production. In a preferred embodiment, the host cell is a bacterium other than Z. mobilis that has been transformed to contain the glf and glk genes of Z. mobilis. By uncoupling glucose transport into the cell from PEP utilization, more PEP is produced for synthesis of products of commercial importance from a given quantity of biomass supplied to the host cells.

  5. 21 CFR 111.255 - What is the requirement to establish a batch production record?

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... MANUFACTURING, PACKAGING, LABELING, OR HOLDING OPERATIONS FOR DIETARY SUPPLEMENTS Production and Process Control... relating to the production and control of each batch; (c) Your batch production record must...

  6. 21 CFR 111.255 - What is the requirement to establish a batch production record?

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... MANUFACTURING, PACKAGING, LABELING, OR HOLDING OPERATIONS FOR DIETARY SUPPLEMENTS Production and Process Control... relating to the production and control of each batch; (c) Your batch production record must...

  7. 12. Interior view of cement and aggregate batch plant showing ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    12. Interior view of cement and aggregate batch plant showing storage bins. Photographer unknown, c. 1926. Source: Ralph Pleasant. - Waddell Dam, On Agua Fria River, 35 miles northwest of Phoenix, Phoenix, Maricopa County, AZ

  8. Groundwater arsenic remediation using zerovalent iron: Batch and column tests

    EPA Science Inventory

    Recently, increasing efforts have been made to explore the applicability and limitations of zerovalent iron (Fe0) for the treatment of arsenicbearing groundwater and wastewater. The experimental batch and column tests have demonstrated that arsenate and arsenite are removed effec...

  9. 1. EXTERIOR VIEW LOOKING NORTHWEST AT BATCH FURNACE BUILDING, 22' ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    1. EXTERIOR VIEW LOOKING NORTHWEST AT BATCH FURNACE BUILDING, 22' BAR MILL BUILDING, AND 22 BAR MILL MOTOR ROOM. - U.S. Steel Duquesne Works, 22-Inch Bar Mill, Along Monongahela River, Duquesne, Allegheny County, PA

  10. 11. GASFIRED CRUCIBLE FURNACES WERE USED TO MELT SMALL, BATCH ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    11. GAS-FIRED CRUCIBLE FURNACES WERE USED TO MELT SMALL, BATCH QUANTITIES OF BRONZE IN STOCKHAM'S BRASS FOUNDRY FOR THE PRODUCTION OF BRONZE VALVES, CA. 1950. - Stockham Pipe & Fittings Company, 4000 Tenth Avenue North, Birmingham, Jefferson County, AL

  11. 19. Main deck just forward of fish batch, portion of ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    19. Main deck just forward of fish batch, portion of fish hatch cover has been opened to show the ventilation grate below. - Schooner "Lettie G. Howard", South Street Seaport Museum, New York County, NY

  12. Actinide Thermodynamics at Elevated Temperatures

    SciTech Connect

    Friese, Judah I.; Rao, Linfeng; Xia, Yuanxian; Bachelor, Paula P.; Tian, Guoxin

    2007-11-16

    The postclosure chemical environment in the proposed Yucca Mountain repository is expected to experience elevated temperatures. Predicting migration of actinides is possible if sufficient, reliable thermodynamic data on hydrolysis and complexation are available for these temperatures. Data are scarce and scattered for 25 degrees C, and nonexistent for elevated temperatures. This collaborative project between LBNL and PNNL collects thermodynamic data at elevated temperatures on actinide complexes with inorganic ligands that may be present in Yucca Mountain. The ligands include hydroxide, fluoride, sulfate, phosphate and carbonate. Thermodynamic parameters of complexation, including stability constants, enthalpy, entropy and heat capacity of complexation, are measured with a variety of techniques including solvent extraction, potentiometry, spectrophotometry and calorimetry

  13. Computing Thermodynamic And Transport Properties

    NASA Technical Reports Server (NTRS)

    Mcbride, B.; Gordon, Sanford

    1993-01-01

    CET89 calculates compositions in chemical equilibrium and properties of mixtures of any chemical system for which thermodynamic data available. Provides following options: obtains chemical-equilibrium compositions and corresponding thermodynamic mixture properties for assigned thermodynamic states; calculates dilute-gas transport properties of complex chemical mixtures; obtains Chapman-Jouguet detonation properties for gaseous mixtures; calculates properties of incident and reflected shocks in terms of assigned velocities; and calculates theoretical performance of rocket for both equilibrium and frozen compositions during expansion. Rocket performance based on optional models of finite or infinite area combustor.

  14. Stochastic thermodynamics of information processing

    NASA Astrophysics Data System (ADS)

    Cardoso Barato, Andre

    2015-03-01

    We consider two recent advancements on theoretical aspects of thermodynamics of information processing. First we show that the theory of stochastic thermodynamics can be generalized to include information reservoirs. These reservoirs can be seen as a sequence of bits which has its Shannon entropy changed due to the interaction with the system. Second we discuss bipartite systems, which provide a convenient description of Maxwell's demon. Analyzing a special class of bipartite systems we show that they can be used to study cellular information processing, allowing for the definition of an entropic rate that quantifies how much a cell learns about a fluctuating external environment and that is bounded by the thermodynamic entropy production.

  15. The Thermodynamic Properties of Cubanite

    NASA Technical Reports Server (NTRS)

    Berger, E. L.; Lauretta, D. S.; Keller, L. P.

    2012-01-01

    CuFe2S3 exists in two polymorphs, a low-temperature orthorhombic form (cubanite) and a high-temperature cubic form (isocubanite). Cubanite has been identified in the CI-chondrite and Stardust collections. However, the thermodynamic properties of cubanite have neither been measured nor estimated. Our derivation of a thermodynamic model for cubanite allows constraints to be placed on the formation conditions. This data, along with the temperature constraint afforded by the crystal structure, can be used to assess the environments in which cubanite formation is (or is not) thermodynamically favored.

  16. Thermodynamic Metrics and Optimal Paths

    SciTech Connect

    Sivak, David; Crooks, Gavin

    2012-05-08

    A fundamental problem in modern thermodynamics is how a molecular-scale machine performs useful work, while operating away from thermal equilibrium without excessive dissipation. To this end, we derive a friction tensor that induces a Riemannian manifold on the space of thermodynamic states. Within the linear-response regime, this metric structure controls the dissipation of finite-time transformations, and bestows optimal protocols with many useful properties. We discuss the connection to the existing thermodynamic length formalism, and demonstrate the utility of this metric by solving for optimal control parameter protocols in a simple nonequilibrium model.

  17. Nuclear criticality safety evaluation DWPF melter -- Batch 1

    SciTech Connect

    Williamson, T.G.

    1993-12-01

    The Savannah River Site (SRS) High Level Nuclear Waste will be vitrified in the Defense Waste Processing Facility (DWPF) for long term storage and disposal. This is a preliminary safety evaluation for the Melt Cell of the DWPF vitrification process for Batch 1 waste. This evaluation demonstrates that the material in the Melt cell remains subcritical for the contents of Batch 1 which contains uranium with less than 1% by weight U-235.

  18. OPLS in batch monitoring - Opens up new opportunities.

    PubMed

    Souihi, Nabil; Lindegren, Anders; Eriksson, Lennart; Trygg, Johan

    2015-02-01

    In batch statistical process control (BSPC), data from a number of "good" batches are used to model the evolution (trajectory) of the process and they also define model control limits, against which new batches may be compared. The benchmark methods used in BSPC include partial least squares (PLS) and principal component analysis (PCA). In this paper, we have used orthogonal projections to latent structures (OPLS) in BSPC and compared the results with PLS and PCA. The experimental study used was a batch hydrogenation reaction of nitrobenzene to aniline characterized by both UV spectroscopy and process data. The key idea is that OPLS is able to separate the variation in data that is correlated to the process evolution (also known as 'batch maturity index') from the variation that is uncorrelated to process evolution. This separation of different types of variations can generate different batch trajectories and hence lead to different established model control limits to detect process deviations. The results demonstrate that OPLS was able to detect all process deviations and provided a good process understanding of the root causes for these deviations. PCA and PLS on the other hand were shown to provide different interpretations for several of these process deviations, or in some cases they were unable to detect actual process deviations. Hence, the use of OPLS in BSPC can lead to better fault detection and root cause analysis as compared to existing benchmark methods and may therefore be used to complement the existing toolbox. PMID:25604817

  19. [Characteristic of Particulate Emissions from Concrete Batching in Beijing].

    PubMed

    Xue, Yi-feng; Zhou, Zhen; Zhong, Lian-hong; Yan, Jing; Qu, Song; Huang, Yu-hu; Tian, He- zhong; Pan, Tao

    2016-01-15

    With the economic development and population growth in Beijing, there is a strong need for construction and housing, which leads to the increase of the construction areas. Meanwhile, as a local provided material, the production of concrete has been raised. In the process of concrete production by concrete batching, there are numerous particulates emitted, which have large effect on the atmospheric environment, however, systematic study about the tempo-spatial characteristics of pollutant emission from concrete batching is still rare. In this study, we estimated the emission of particulates from concrete batching from 1991 to 2012 using emission factor method, analyzed the tempo-spatial characteristics of pollutant emission, established the uncertainty range by adopting Monte-Carlo method, and predicted the future emission in 2020 based on the relative environmental and economical policies. The results showed that: (1) the emissions of particulates from concrete batching showed a trend of "first increase and then decrease", reaching the maximum in 2005, and then decreased due to stricter emission standard and enhanced environmental management. (2) according to spatial distribution, the emission of particulates from concrete batch mainly concentrated in the urban area with more human activities, and the area between the fifth ring and the sixth ring contributed the most. (3) through scenarios analysis, for further reducing the emission from concrete batching in 2020, more stricter standard for green production as well as powerful supervision is needed. PMID:27078945

  20. Model selection for microbial nutrient uptake using a cost-benefit approach.

    PubMed

    Müller, J; Hense, B A; Marozava, S; Kuttler, Ch; Meckenstock, R U

    2014-09-01

    We consider the uptake of various carbon sources by microorganisms based on four fundamental assumptions: (1) the uptake of nutrient follows a saturation characteristics (2) substrate processing has a benefit but comes at costs of maintaining the process chain (3) substrate uptake is controlled and (4) evolution optimized the control of substrate uptake. These assumptions result in relatively simple mathematical models. In case of two substrates, our main finding is the following: Depending on the overall topology of the metabolic pathway, three different behavioral patterns can be identified. (1) both substrates are consumed at a time, (2) one substrate is preferred and represses the uptake of the other (catabolite repression), or (3) a cell feeds exclusively on one or the other substrate, possibly leading to a population that splits in two sub-populations, each of them specialized on one substrate only. Batch-culture and retentostat data of toluene, benzoate, and acetate uptake by Geobacter metallireducens are used to demonstrate that the model structure is suited for a quantitative description of uptake dynamics. PMID:24977929

  1. Effects of light intensity and temperature on Cryptomonas ovata (Cryptophyceae) growth and nutrient uptake rates

    USGS Publications Warehouse

    Cloern, James E.

    1977-01-01

    Specific growth rate of Cryptomonas ovata var. palustris Pringsheim was measured in batch culture at 14 light-temperature combinations. Both the maximum growth rate (μm) and optimum light intensity (Iopt) fit an empirical function that increases exponentially with temperature up to an optimum (Topt), then declines rapidly as temperature exceeds Topt. Incorporation of these functions into Steele's growth equation gives a good estimate of specific growth rate over a wide range of temperature and light intensity. Rates of phosphate, ammonium and nitrate uptake were measured separately at 16 combinations of irradiance and temperature and following a spike addition of all starved cells initially took up nutrient at a rapid rate. This transitory surge was followed by a period of steady, substrate-saturated uptake that persisted until external nutrient concentration fell. Substrate-saturated NO3−-uptake proceeded at very slow rates in the dark and was stimulated by both increased temperature and irradiance; NH4+-uptake apparently proceeded at a basal rate at 8 and l4 C and was also stimulated by increased temperature and irradiance. Rates of NH4−-uptake were much higher than NO3−-uptake at all light-temperature combinations. Below 20 C, PO4−3-uptake was more rapid in dark than in light, but was light enhanced at 26 C.

  2. Thermodynamics of the hot BIon

    NASA Astrophysics Data System (ADS)

    Grignani, Gianluca; Harmark, Troels; Marini, Andrea; Obers, Niels A.; Orselli, Marta

    2011-10-01

    We investigate the thermodynamics of the recently obtained finite temperature BIon solution of [G. Grignani, T. Harmark, A. Marini, N.A. Obers, M. Orselli, Heating up the BIon, arXiv:1012.1494 [hep-th

  3. Thermodynamic efficiency of solar concentrators.

    PubMed

    Shatz, Narkis; Bortz, John; Winston, Roland

    2010-04-26

    The optical thermodynamic efficiency is a comprehensive metric that takes into account all loss mechanisms associated with transferring flux from the source to the target phase space, which may include losses due to inadequate design, non-ideal materials, fabrication errors, and less than maximal concentration. We discuss consequences of Fermat's principle of geometrical optics and review étendue dilution and optical loss mechanisms associated with nonimaging concentrators. We develop an expression for the optical thermodynamic efficiency which combines the first and second laws of thermodynamics. As such, this metric is a gold standard for evaluating the performance of nonimaging concentrators. We provide examples illustrating the use of this new metric for concentrating photovoltaic systems for solar power applications, and in particular show how skewness mismatch limits the attainable optical thermodynamic efficiency. PMID:20607882

  4. Thermodynamic efficiency of solar concentrators.

    PubMed

    Shatz, Narkis; Bortz, John; Winston, Roland

    2010-04-26

    The optical thermodynamic efficiency is a comprehensive metric that takes into account all loss mechanisms associated with transferring flux from the source to the target phase space, which may include losses due to inadequate design, non-ideal materials, fabrication errors, and less than maximal concentration. We discuss consequences of Fermat's principle of geometrical optics and review étendue dilution and optical loss mechanisms associated with nonimaging concentrators. We develop an expression for the optical thermodynamic efficiency which combines the first and second laws of thermodynamics. As such, this metric is a gold standard for evaluating the performance of nonimaging concentrators. We provide examples illustrating the use of this new metric for concentrating photovoltaic systems for solar power applications, and in particular show how skewness mismatch limits the attainable optical thermodynamic efficiency. PMID:20588573

  5. Online batch scheduling of equal-length jobs on two identical batch machines to maximise the number of early jobs

    NASA Astrophysics Data System (ADS)

    Li, Wenjie; Li, Shisheng

    2015-03-01

    We study the online batch scheduling of equal-length jobs on two identical batch machines. Each batch machine can process up to b jobs simultaneously as a batch (where b is called the capacity of the machines). The goal is to determine a schedule that maximises the (weighted) number of early jobs. For the non-preemptive model, we first present an upper bound that depends on the machine capacity b, and then we provide a greedy online algorithm with a competitive ratio of 1/(b + 1). For the preemption-restart model with b = ∞, we first show that no online algorithm has a competitive ratio greater than 0.595, and then we design an online algorithm with a competitive ratio of ?.

  6. Uptake of VOC by sunflower

    NASA Astrophysics Data System (ADS)

    Folkers, A.; Miebach, M.; Kleist, E.; Wildt, J.

    2003-04-01

    To study potential VOC uptake by plants we exposed sunflower (Helianthus annuus) to different VOC in continuously stirred tank reactors. For many VOC like methanol, ethanol, acetone, methylvinylketone, isoprene or limonene no uptake was detectable within the accuracy of our analytic set up. Other VOC like hexanal, octanal, (E)-3-hexenol and nopinone were taken up by sunflower. The uptake was related to stomatal aperture. Obviously, these VOC enter the plants through stomata. In case of hexanal, octanal, and (E)-3-hexenol the uptake was only limited by stomatal aperture implying that these VOC are rapidly metabolised. For nopinone the uptake seems to be limited by a slow metabolization. Estimations of deposition velocities showed that dry deposition of these compounds cannot be neglected as sink if diffusion through stomata is the limiting step for dry deposition. In such cases the lifetime with respect to dry deposiotion is comparable to the lifetime with respect to oxidation by hydroxyl radicals.

  7. A high-fidelity batch simulation environment for integrated batch and piloted air combat simulation analysis

    NASA Technical Reports Server (NTRS)

    Goodrich, Kenneth H.; Mcmanus, John W.; Chappell, Alan R.

    1992-01-01

    A batch air combat simulation environment known as the Tactical Maneuvering Simulator (TMS) is presented. The TMS serves as a tool for developing and evaluating tactical maneuvering logics and to evaluate the tactical implications of perturbations to aircraft performance or supporting systems. The TMS is capable of simulating air combat between any number of engagement participants, with practical limits imposed by computer memory and processing power. Aircraft are modeled using equations of motion, control laws, aerodynamics and propulsive characteristics, and databases representative of a modern high-performance aircraft with and without thrust-vectoring capability are included. A Tactical Autopilot is implemented in the aircraft simulation model to convert guidance commands issued by computerized maneuvering logics in the form of desired angle-of-attack and wind axis-bank angle into inputs to the inner-loop control augmentation system of the aircraft.

  8. Thermodynamic Properties of HCFC-124

    NASA Astrophysics Data System (ADS)

    Fukushima, Masato; Watanabe, Naohiro

    Thermodynamic properties of HCFC-124, such as saturated densities, vapor pressures and PVT properties, were measured and the critical parameters were determined through those experimental results. The correlations for vapor pressure, saturated liquid density and PVT properties deduced from those experimental results were compared with the measured data and also with the estimates of the other correlations published in literatures. The thermodynamic functions, such as enthalpy, entropy, heat capacity, etc., can reasonably be calculated from the correlation equations in this paper.

  9. Thermodynamics of nonsingular bouncing universes

    NASA Astrophysics Data System (ADS)

    Ferreira, Pedro C.; Pavón, Diego

    2016-01-01

    Homogeneous and isotropic, nonsingular, bouncing world models are designed to evade the initial singularity at the beginning of the cosmic expansion. Here, we study the thermodynamics of the subset of these models governed by general relativity. Considering the entropy of matter and radiation and considering the entropy of the apparent horizon to be proportional to its area, we argue that these models do not respect the generalized second law of thermodynamics, also away from the bounce.

  10. Simulating Metabolism with Statistical Thermodynamics

    SciTech Connect

    Cannon, William R.

    2014-08-04

    Kinetic probabilities of state are usually based on empirical measurements, while thermodynamic state probabilities are based on the assumption that chemical species are distributed to according to a multinomial Boltzmann distribution. While the use of kinetic simulations is desirable, obtaining all the mass action rate constants necessary to carry out kinetic simulations is an overwhelming challenge. Here, the kinetic probability of a state is compared in depth to the thermodynamic probability of a state for sets of coupled reactions. The entropic and energetic contributions to thermodynamic stable states are described and compared to entropic and energetic contributions of kinetic steady states. It is shown that many kinetic steady states are possible for a system of coupled reactions depending on the relative values of the mass action rate constants, but only one of these corresponds to a thermodynamically stable state. Furthermore, the thermodynamic stable state corresponds to a minimum free energy state. The use of thermodynamic simulations of state to model metabolic processes is attractive, since metabolite levels and energy requirements of pathways can be evaluated using only standard free energies of formation as parameters in the probability distribution. In chemical physics, the assumption of a Boltzmann distribution is the basis of transition state theory for modeling transitory species. Application to stable species, such as those found in metabolic processes, is a less severe assumption that would enable the use of simulations of state.