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Sample records for batch uptake thermodynamic

  1. 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

  2. A thermodynamic formulation of root water uptake

    NASA Astrophysics Data System (ADS)

    Hildebrandt, Anke; Kleidon, Axel; Bechmann, Marcel

    2016-08-01

    By extracting bound water from the soil and lifting it to the canopy, root systems of vegetation perform work. Here we describe how root water uptake can be evaluated thermodynamically and demonstrate that this evaluation provides additional insights into the factors that impede root water uptake. We derive an expression that relates the energy export at the base of the root system to a sum of terms that reflect all fluxes and storage changes along the flow path in thermodynamic terms. We illustrate this thermodynamic formulation using an idealized setup of scenarios with a simple model. In these scenarios, we demonstrate why heterogeneity in soil water distribution and rooting properties affect the impediment of water flow even though the mean soil water content and rooting properties are the same across the scenarios. The effects of heterogeneity can clearly be identified in the thermodynamics of the system in terms of differences in dissipative losses and hydraulic energy, resulting in an earlier start of water limitation in the drying cycle. We conclude that this thermodynamic evaluation of root water uptake conveniently provides insights into the impediments of different processes along the entire flow path, which goes beyond resistances and also accounts for the role of heterogeneity in soil water distribution.

  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. Modeling of batch sorber system: kinetic, mechanistic, and thermodynamic modeling

    NASA Astrophysics Data System (ADS)

    Mishra, Vishal

    2016-09-01

    The present investigation has dealt with the biosorption of copper and zinc ions on the surface of egg-shell particles in the liquid phase. Various rate models were evaluated to elucidate the kinetics of copper and zinc biosorptions, and the results indicated that the pseudo-second-order model was more appropriate than the pseudo-first-order model. The curve of the initial sorption rate versus the initial concentration of copper and zinc ions also complemented the results of the pseudo-second-order model. Models used for the mechanistic modeling were the intra-particle model of pore diffusion and Bangham's model of film diffusion. The results of the mechanistic modeling together with the values of pore and film diffusivities indicated that the preferential mode of the biosorption of copper and zinc ions on the surface of egg-shell particles in the liquid phase was film diffusion. The results of the intra-particle model showed that the biosorption of the copper and zinc ions was not dominated by the pore diffusion, which was due to macro-pores with open-void spaces present on the surface of egg-shell particles. The thermodynamic modeling reproduced the fact that the sorption of copper and zinc was spontaneous, exothermic with the increased order of the randomness at the solid-liquid interface.

  5. 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...

  6. 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.

  7. Biological nitrogen removal with enhanced phosphate uptake in a sequencing batch reactor using single sludge system.

    PubMed

    Lee, D S; Jeon, C O; Park, J M

    2001-11-01

    Simultaneous biological phosphorus and nitrogen removal with enhanced anoxic phosphate uptake was investigated in an anaerobic-aerobic-anoxic-aerobic sequencing batch reactor ((AO)2 SBR). Significant amounts of phosphorus-accumulation organisms (PAOs) capable of denitrification could be accumulated in a single sludge system coexisting with nitrifiers. The ratio of the anoxic phosphate uptake to the aerobic phosphate uptake capacity was increased from 11% to 64% by introducing an anoxic phase in an anaerobic aerobic SBR. The (AO)2 SBR system showed stable phosphorus and nitrogen removal performance. Average removal efficiencies of TOC, total nitrogen, and phosphorus were 92%, 88%, and 100%, respectively. It was found that nitrite (up to 10 mg NO2(-)-N/l) was not detrimental to the anoxic phosphate uptake and could serve as an electron acceptor like nitrate. In fact, the phosphate uptake rate was even faster in the presence of nitrite as an electron acceptor compared to the presence of nitrate. It was found that on-line sensor values of pH, ORP, and DO were somehow related with the dynamic behaviours of nutrient concentrations (NH4+, NO3-, and PO4(3-)) in the SBR. These on-line sensor values were used as real-time control parameters to adjust the duration of each operational phase in the (AO)2 SBR. The real-time controlled SBR exhibited better performance in the removal of phosphorus and nitrogen than the SBR with fixed-time operation. PMID:12230180

  8. 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.

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

    NASA Astrophysics Data System (ADS)

    Sun, Baichuan; Chakraborty, Anutosh

    2014-05-01

    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.

  10. 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.

  11. Kinetic analysis of the uptake of glucose and corn oil used as carbon sources in batch cultures of Gibberella fujikuroi.

    PubMed

    Rios-Iribe, Erika Y; Hernández-Calderón, Oscar M; Escamilla-Silva, Eleazar M

    2016-11-01

    This study determined the specific uptake rate of glucose and corn oil substrates used as carbon sources in batch cultures of Gibberella fujikuroi. We tested three biological models of growth rate: Monod, logistic and lag-exponential. With respect to the substrate consumption rate, we tested two models: constant cell yield (CCY) and law of mass action (LMA). The experimental data obtained from the culture with glucose as substrate correlated satisfactorily with the logistic/LMA model, indicating that the cell yield was variable. In the case of corn oil as carbon source, considering total residual lipids as substrate in the culture broth, the model with the best correlation was the lag-exp/CCY model. The quantification by GC of the three main fatty acids (linoleic, oleic and palmitic) in the culture medium showed a cumulative behavior, with a maximum concentration of each acid at 36 h. We established a more explicit mechanism of the consumption of corn oil, consisting of two stages: generation of fatty acids by hydrolysis and consumption by cellular uptake. The kinetic of hydrolysable lipids was of first order. We found that the hydrolysis rate of corn oil is not a limiting factor for the uptake of fatty acids by the microorganism. We also established, based on the analysis of the identical mathematical structure of consumption kinetics, that the uptake of fatty acids is faster than the uptake of glucose.

  12. Kinetic analysis of the uptake of glucose and corn oil used as carbon sources in batch cultures of Gibberella fujikuroi.

    PubMed

    Rios-Iribe, Erika Y; Hernández-Calderón, Oscar M; Escamilla-Silva, Eleazar M

    2016-11-01

    This study determined the specific uptake rate of glucose and corn oil substrates used as carbon sources in batch cultures of Gibberella fujikuroi. We tested three biological models of growth rate: Monod, logistic and lag-exponential. With respect to the substrate consumption rate, we tested two models: constant cell yield (CCY) and law of mass action (LMA). The experimental data obtained from the culture with glucose as substrate correlated satisfactorily with the logistic/LMA model, indicating that the cell yield was variable. In the case of corn oil as carbon source, considering total residual lipids as substrate in the culture broth, the model with the best correlation was the lag-exp/CCY model. The quantification by GC of the three main fatty acids (linoleic, oleic and palmitic) in the culture medium showed a cumulative behavior, with a maximum concentration of each acid at 36 h. We established a more explicit mechanism of the consumption of corn oil, consisting of two stages: generation of fatty acids by hydrolysis and consumption by cellular uptake. The kinetic of hydrolysable lipids was of first order. We found that the hydrolysis rate of corn oil is not a limiting factor for the uptake of fatty acids by the microorganism. We also established, based on the analysis of the identical mathematical structure of consumption kinetics, that the uptake of fatty acids is faster than the uptake of glucose. PMID:27646209

  13. 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

  14. 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

  15. 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

  16. Biomechanics and thermodynamics of nanoparticle interactions with plasma and endosomal membrane lipids in cellular uptake and endosomal escape.

    PubMed

    Peetla, Chiranjeevi; Jin, Shihua; Weimer, Jonathan; Elegbede, Adekunle; Labhasetwar, Vinod

    2014-07-01

    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

  17. 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.

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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

  3. Sequestration of Sr(II) by calcium oxalate—A batch uptake study and EXAFS analysis of model compounds and reaction products

    NASA Astrophysics Data System (ADS)

    Singer, David M.; Johnson, Stephen B.; Catalano, Jeffrey G.; Farges, François; Brown, Gordon E., Jr.

    2008-10-01

    Calcium oxalate monohydrate (CaC 2O 4·H 2O—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) aq following its reaction with CaOx. Batch uptake experiments were conducted over the pH range 4-10, with initial Sr solution concentrations, [Sr] aq, ranging from 1 × 10 -4 to 1 × 10 -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 aq for two days, the solution Ca concentration, [Ca] aq, increased for all samples relative to the control CaOx suspension (with no Sr added). The amount of Sr aq removed from solution was nearly equal to the total [Ca] 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 to account for anharmonic effects in the EXAFS data. For Sr

  4. Influence of pH, temperature, and urea molar flowrate on Arthrospira platensis fed-batch cultivation: a kinetic and thermodynamic approach.

    PubMed

    Sánchez-Luna, Luis Dante; Bezerra, Raquel Pedrosa; Matsudo, Marcelo Chuei; Sato, Sunao; Converti, Attilio; de Carvalho, João Carlos Monteiro

    2007-03-01

    Arthrospira platensis was cultivated photoautotrophically at 6.0 klux light intensity in 5.0-L open tanks, using a mineral medium containing urea as nitrogen source. Fed-batch experiments were performed at constant flowrate. A central composite factorial design combined to response surface methodology (RSM) was utilized to determine the relationship between the selected response variables (cell concentration after 10 days, X(m), cell productivity, P(X), and nitrogen-to-cell conversion factor, Y(X/N)) and codified values of the independent variables (pH, temperature, T, and urea flowrate, K). By applying the quadratic regression analysis, the equations describing the behaviors of these responses as simultaneous functions of the selected independent variables were determined, and the conditions for X(m) and P(X) optimization were estimated (pH 9.5, T = 29 degrees C, and K = 0.551 mM/day). The experimental data obtained under these conditions (X(m) = 749 mg/L; P(X) = 69.9 mg/L.day) were very close to the estimated ones (X(m) = 721 mg/L; P(X) = 67.1 mg/L.day). Additional cultivations were carried out under the above best conditions of pH control and urea flowrate at variable temperature. Consistently with the results of RSM, the best growth temperature was 29 degrees C. The maximum specific growth rates at different temperatures were used to estimate the thermodynamic parameters of growth (DeltaH* = 59.3 kJ/mol; DeltaS* = -0.147 kJ/mol.K; DeltaG* = 103 kJ/mol) and its thermal inactivation (DeltaH(D) (o) = 72.0 kJ/mol; DeltaS(D) (o) = 0.144 kJ/mol.K; DeltaG(D) (o) = 29.1 kJ/mol).

  5. 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

  6. 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.

  7. Manganese uptake of imprinted polymers

    SciTech Connect

    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.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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

  13. 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

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. Heat Integration in Batch Distillation Column

    NASA Astrophysics Data System (ADS)

    Maiti, Debadrita; Jana, Amiya K.; Samanta, Amar Nath

    2010-10-01

    A new heat integrated batch distillation column has been configured in this paper. Here the column and reboiler are connected in an annular arrangement and a compressor is positioned between them to maintain the pressure difference. The heat integration is between the rectifying batch column and one concentric reboiler. Ethanol-Water binary system is chosen as an example for the design and analysis of this heat integrated batch distillation column (HIBDiC). In this work, a sensitivity test for selecting the optimal value of the total number of trays and reboiler duty and a thermodynamic feasibility test for its design acceptability has been accomplished. The principal objective of this study is to investigate the influence of compression ratio (CR) on the energy consumption of distillation and to find out the optimal value of CR. Also a comparative analysis of HIBiDC on energy consumption in steady state as well as in dynamic state has been carried out on the basis of its conventional model. The proposed scheme is capable to save the energy up to 50.52% compared to its conventional one by selecting the CR of 1.4 as an optimal value.

  19. Flow-batch miniaturization.

    PubMed

    Monte-Filho, Severino S; Lima, Marcelo B; Andrade, Stéfani I E; Harding, David P; Fagundes, Yebá N M; Santos, Sergio R B; Lemos, Sherlan G; Araújo, Mario C U

    2011-10-30

    This study introduces the first micro-flow-batch analyzer (μFBA). A simple, low-cost, deep urethane-acrylate photo-resist ultraviolet-lithographic technique was used in its development. Details of the microfabrication process are presented including; the use of two superimposed photo-masks to improve the micro-channel and stop chamber border definition, as well as integration of an LED/phototransistor photometric pair, while using an open nylon-thread (fishing line) micro-mixing system for solutions homogenization. The system was used for photometric determination of Fe(II) in oral solution iron supplements employing the well-known 1,10-phenanthroline method, with instantaneously prepared micro-chamber calibration solutions. All analytical processes were accomplished by simply changing the timing parameters in the control software. It must be emphasized here that there was no outside preparation of the standard calibration solutions; the mixing was all done in-chamber/in-line, with all solutions maintained flowing while being proportioned for the measurement processes. The μFBA results were acceptable when compared to the reference method, and comparable to normal flow-batch systems. It was possible both to project and build a low-cost probe with high sample throughput (about 120 h(-1)), low relative standard deviations (about 1.1%), and reduced reagent consumption (30 times less than the reference method). The μFBA system based on urethane-acrylate presented satisfactory physical and chemical properties while keeping the flexibility, versatility, robustness, and multi-task characteristics of normal flow-batch analyzers. The μFBA system contributes to the advance of micro-analytical instrumentation, while realizing the basic principles of "Green Chemistry". PMID:22063532

  20. 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

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. Methodology of Thermodynamics

    ERIC Educational Resources Information Center

    Mohan, Gyan

    1969-01-01

    Presents a systematization of the mathematical formulae in thermodynamics. From the set of thermodynamic variables, four equations are derived which contain the total mathematical jargon of thermodynamics. (LC)

  7. 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.

  8. 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.

  9. 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%.

  10. 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.

  11. Adaptive Batch Mode Active Learning.

    PubMed

    Chakraborty, Shayok; Balasubramanian, Vineeth; Panchanathan, Sethuraman

    2015-08-01

    Active learning techniques have gained popularity to reduce human effort in labeling data instances for inducing a classifier. When faced with large amounts of unlabeled data, such algorithms automatically identify the exemplar and representative instances to be selected for manual annotation. More recently, there have been attempts toward a batch mode form of active learning, where a batch of data points is simultaneously selected from an unlabeled set. Real-world applications require adaptive approaches for batch selection in active learning, depending on the complexity of the data stream in question. However, the existing work in this field has primarily focused on static or heuristic batch size selection. In this paper, we propose two novel optimization-based frameworks for adaptive batch mode active learning (BMAL), where the batch size as well as the selection criteria are combined in a single formulation. We exploit gradient-descent-based optimization strategies as well as properties of submodular functions to derive the adaptive BMAL algorithms. The solution procedures have the same computational complexity as existing state-of-the-art static BMAL techniques. Our empirical results on the widely used VidTIMIT and the mobile biometric (MOBIO) data sets portray the efficacy of the proposed frameworks and also certify the potential of these approaches in being used for real-world biometric recognition applications.

  12. Nanoscopic Thermodynamics.

    PubMed

    Qi, Weihong

    2016-09-20

    Conventional thermodynamics for bulk substances encounters challenges when one considers materials on the nanometer scale. Quantities such as entropy, enthalpy, free energy, melting temperature, ordering temperature, Debye temperature, and specific heat no longer remain constant but change with the crystal dimension, size, and morphology. Often, one phenomenon is associated with a variety of theories from different perspectives. Still, a model that can reconcile the size and shape dependence of the thermal properties of the nanoscaled substances remains one of the goals of nanoscience and nanotechnology. This Account highlights the nanoscopic thermodynamics for nanoparticles, nanowires, and nanofilms, with particular emphasis on the bond energy model. The central idea is that the atomic cohesive energy determines the thermodynamic performance of a substance and the cohesive energy varies with the atomic coordination environment. It is the cohesive energy difference between the core and the shell that dictates the nanoscopic thermodynamics. This bond energy model rationalizes the following: (i) how the surface dangling bonds depress the melting temperature, entropy, and enthalpy; (ii) how the order-disorder transition of the nanoparticles depends on particle size and how their stability may vary when they are embedded in an appropriate matrix; (iii) predictions of the existence of face-centered cubic structures of Ti, Zr, and Hf at small size; (iv) how two elements that are immiscible in the bulk can form an alloy on the nanoscale, where the critical size can be predicted. The model has enabled us to reproduce the size and shape dependence of a number of physical properties, such as melting temperature, melting entropy, melting enthalpy, ordering temperature, Gibbs free energy, and formation heat, among others, for materials such as Pd, Au, Ag, Cu, Ni, Sn, Pb, In, Bi, Al, Ti, Zr, Hf, In-Al, Ag-Ni, Co-Pt, Cu-Ag, Cu-Ni, Au-Ni, Ag-Pt, and Au-Pt on the nanometer scale

  13. Adsorption kinetic and thermodynamic studies of phosphate onto tantalum hydroxide.

    PubMed

    Yu, Shi-Hua; Dong, Xiao-Le; Gong, Hong; Jiang, Heng; Liu, Zhi-Gang

    2012-12-01

    Tantalum hydroxide exhibits the ability for the removal of phosphate from aqueous solution. The kinetic study, adsorption isotherm, thermodynamic study, desorption, and foreign anions effect were examined in batch experiments. The kinetic process was very well described by a pseudo-second-order rate model. The adsorption isotherms showed that phosphate uptake fitted with a Langmuir-type model very well, with an increase of PO4(3-) adsorption capacity from 78.5 to 97.0 mg/g when the temperature increased from 298 to 338 K. The negative values of deltaG(0) and the positive values of deltaH(0) indicated that the phosphate adsorption process was spontaneous and endothermic naturally. While the deltaS(0) values obtained were positive, indicating an increase in randomness at the solid-liquid interface during the adsorption. Foreign anions tests showed that the presence of competitive ions cause minimal interference with the adsorption of phosphate on tantalum hydroxide.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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)

  20. 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

  1. 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

  2. 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.

  3. 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.

  4. Batch manufacturing: Six strategic needs

    SciTech Connect

    Ash, R.H.; Chappell, D.A.

    1995-08-01

    Since the advent of industrial digital control systems in the mid-1970s, industry has had the promise of integrated, configurable digital batch control systems to replace the morass of electromechanical devices like relays and stepping switches, recorders, and indicators which comprised the components of previous generations of batch control systems - the {open_quotes}monolithic monsters{close_quotes} of the 1960s and earlier. To help fulfill that promise, there have been many wide-ranging proprietary automation solutions for batch control since 1975, many of them technically excellent. However, even the best examples suffered from the lack of a common language and unifying concept permitting separate systems to be interconnected and work together. Today, some 20 years after the digital revolution began, industry has microprocessors, memory chips, data highways, and other marvelous technology to help automate the control of discontinuous processes. They also are on the way to having an accepted standard for batch automation, ISA S88. Batching systems are at once conceptually simple but executionally complex. The notion of adding ingredients one at a time to a vat, mixing, and then processing into final form is as old as the stone age. Every homemaker on earth, male or female, is familiar with how to follow a recipe to create some sumptuous item of culinary delight. Food recipes, so familiar and ubiquitous, are really just microcosms of the S88 recipe standard. They contain the same components: (1) Header (name and description of item being prepared, sometimes serving size); (2) Formula (list and amount of ingredients); (3) Equipment requirements (pans, mixing and cooking equipment); (4) Procedure (description of order of ingredient addition, mixing and other processing steps, baking/cooling time, and other processing steps); and (5) Other information (safety, cautions, and other miscellaneous instructions).

  5. 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…

  6. Biodegradability of industrial textile wastewater - batch tests.

    PubMed

    Paździor, Katarzyna; Klepacz-Smółka, Anna; Wrębiak, Julita; Liwarska-Bizukojć, Ewa; Ledakowicz, Stanisław

    2016-01-01

    Following new trends we applied oxygen uptake rate (OUR) tests as well as long-term tests (in two batch bioreactors systems) in order to assess the biodegradability of textile wastewater. Effluents coming from a dyeing factory were divided into two streams which differed in inorganic and organic contaminants loads. Usefulness of the stream division was proved. Biodegradation of the low-loaded stream led to over 97% reduction of biochemical oxygen demand (BOD5) together with 80% reduction of chemical oxygen demand (COD) and total organic carbon (TOC). Most of the controlled parameter values were below the levels allowed by legislation for influents to surface water, whereas the high-loaded stream was so contaminated with recalcitrant organic compounds that despite the reduction of BOD5 by over 95%, COD, TOC, total nitrogen and total phosphorus levels exceeded permissible values. OUR tests were aimed at determination of the following kinetic parameters: maximum specific growth rate (μMax), half-saturation constant, hydrolysis constant and decay coefficient for activated sludge biomass for both types of textile wastewater studied. The values of kinetic parameters will be applied in activated sludge models used for prediction and optimisation of biological treatment of textile wastewater. PMID:27642827

  7. 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.

  8. 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.

  9. 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

  10. Thermodynamics: Frontiers and Foundations.

    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

  11. 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

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

    PubMed

    Mahmoud, Mohamed A

    2016-01-01

    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 (r (2) = 0.999), but the Bohart-Adams model (r (2) = 0.911), predicted poor performance of fixed-bed column. PMID:26843973

  13. 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.

  14. 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.

  15. Synthesis of azeotropic batch distillation separation systems

    SciTech Connect

    Safrit, B.T.; Westerberg, A.W.

    1997-05-01

    The sequencing of batch distillation systems, in particular batch distillation columns, can be complicated by the existence of azeotropes in the mixture. These azeotropes can form batch distillation regions where, depending on the initial feed to the batch column, the types of feasible products and separations are limited. It is very important that these distillation regions are known while attempting to synthesize sequences of batch columns so infeasible designs can be eliminated early on in the design phase. The distillation regions also give information regarding the feasible products that can be obtained when the mixture is separated by using a variety of batch column configurations. The authors will show how a tool for finding the batch distillation regions of a particular mixture can be used in the synthesis of batch distillation column sequences. These sequences are determined by the initial feed composition to the separation network. The network of all possible sequences will be generated by using state-task networks when batch rectifying, stripping, middle vessel, and extractive middle vessel columns are allowed. The authors do not determine which sequence is the best, as the best sequence will depend on the particular application to which one is applying the algorithms. They show an example problem for illustration of this technique.

  16. Model-based data evaluation of polyhydroxybutyrate producing mixed microbial cultures in aerobic sequencing batch and fed-batch reactors.

    PubMed

    Johnson, Katja; Kleerebezem, Robbert; van Loosdrecht, Mark C M

    2009-09-01

    The production of polyhydroxyalkanoates (PHAs) with mixed microbial cultures is a promising approach for the sustainable production of bioplastics. Usually a two-step process is employed consisting of (i) the enrichment of a PHA producing mixed culture in a sequencing batch reactor (SBR) and (ii) the subsequent PHA production in a fed-batch reactor. Both reactors are highly dynamic systems, particularly if the SBR is working at low sludge residence times (SRTs) or if growth is (partly) permitted in fed-batch systems. Under these conditions the concentrations of substrate, PHA and biomass change rapidly, complicating the identification of biomass specific conversion rates as required for process characterization. We developed a structured approach for the evaluation of such SBR and fed-batch experiments consisting of five steps: (1) Measurement of a sufficiently large set of parameters including off-gas concentrations, (2) Corrections of measurements for effects of sampling and addition of liquids (pH control, substrate), (3) Calculation of oxygen uptake and carbon dioxide evolution rates, the latter including inorganic carbon dissolved in the liquid phase, (4) Balancing of the measured conversions, (5) Evaluation of the measurements by means of a metabolic model. This approach has been successfully applied to a large number of data sets. Steps 1-4 ensured that data sets of high quality were obtained. Step 5 allowed to find the best estimates for all conversions and biomass specific rates for the measured data sets, while complying with material balances. Conversions of the substrate acetate, the nitrogen source ammonia and of the storage polymer PHA (here polyhydroxybutyrate (PHB)) were described very accurately by the model. Modeled off-gas conversions often deviated somewhat from measured conversions, which might be partly due to an inaccurate model stoichiometry. Nonetheless, the described approach proved to be a very useful tool for the evaluation and

  17. 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.…

  18. 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.

  19. Substrate stiffness regulates cellular uptake of nanoparticles.

    PubMed

    Huang, Changjin; Butler, Peter J; Tong, Sheng; Muddana, Hari S; Bao, Gang; Zhang, Sulin

    2013-04-10

    Nanoparticle (NP)-bioconjugates hold great promise for more sensitive disease diagnosis and more effective anticancer drug delivery compared with existing approaches. A critical aspect in both applications is cellular internalization of NPs, which is influenced by NP properties and cell surface mechanics. Despite considerable progress in optimization of the NP-bioconjugates for improved targeting, the role of substrate stiffness on cellular uptake has not been investigated. Using polyacrylamide (PA) hydrogels as model substrates with tunable stiffness, we quantified the relationship between substrate stiffness and cellular uptake of fluorescent NPs by bovine aortic endothelial cells (BAECs). We found that a stiffer substrate results in a higher total cellular uptake on a per cell basis, but a lower uptake per unit membrane area. To obtain a mechanistic understanding of the cellular uptake behavior, we developed a thermodynamic model that predicts that membrane spreading area and cell membrane tension are two key factors controlling cellular uptake of NPs, both of which are modulated by substrate stiffness. Our experimental and modeling results not only open up new avenues for engineering NP-based cancer cell targets for more effective in vivo delivery but also contribute an example of how the physical environment dictates cellular behavior and function.

  20. [Governmental batch sample testing of allergen products].

    PubMed

    Bartel, D; Führer, F; Vieths, S

    2012-03-01

    Allergen products for specific immunotherapy of type I allergies were first authorized for the German market in the 1970s. In addition to finished products manufactured in advance and in batches, so-called named patient products have recently been defined as Medicinal Products by the German Medicinal Products Act ("Arzneimittelgesetz", AMG 14th Revision 2005). Some allergen products previously marketed as named patient products are now required to obtain marketing authorization according to the German ordinance for therapy allergens. Products have to be batch released by the competent German Federal Agency, the Paul-Ehrlich-Institut (PEI). Samples of product batches are delivered to the PEI in order to perform experimental quality controls. With regard to named patient products, PEI tests batch samples of the bulk extract preparations used for manufacturing of the respective, named patient products. The institute releases approximately 2,800 allergen product batches annually.

  1. 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

  2. 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.

  3. 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

  4. 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.

  5. Variable Nanoparticle-Cell Adhesion Strength Regulates Cellular Uptake

    NASA Astrophysics Data System (ADS)

    Yuan, Hongyan; Li, Ju; Bao, Gang; Zhang, Sulin

    2010-09-01

    In receptor-mediated endocytosis, cells exercise biochemical control over the mechanics of adhesion to engulf foreign particles, featuring a variable adhesion strength. Here we present a thermodynamic model with which we elucidate that the variable adhesion strength critically governs the cellular uptake, yielding an uptake phase diagram in the space of ligand density and particle size. We identify from the diagram an endocytosed phase with markedly high uptake, encompassed by a lower and an upper phase boundary that are set, respectively, by the enthalpic and entropic limits of the adhesion strength. The phase diagram may provide useful guidance to the rational design of nanoparticle-based therapeutic and diagnostic agents.

  6. INTERIOR VIEW OF MIXER LOCATED ON SECOND FLOOR OF BATCH ...

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

    INTERIOR VIEW OF MIXER LOCATED ON SECOND FLOOR OF BATCH PLANT. RECENTLY PURCHASED TO REPLACE OLD MIXER. USED TO MIX THE BATCH - Chambers-McKee Window Glass Company, Batch Plant, Clay Avenue Extension, Jeannette, Westmoreland County, PA

  7. DETAIL VIEW OF BATCH CAR, BUILT BY ATLAS CAR & ...

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

    DETAIL VIEW OF BATCH CAR, BUILT BY ATLAS CAR & MANUFACTURING COMPANY. BATCH STORAGE SILOS IN BACKGROUND - Chambers Window Glass Company, Batch Plant, North of Drey (Nineteenth) Street, West of Constitution Boulevard, Arnold, Westmoreland County, PA

  8. 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.

  9. 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

  10. Treatment of wastewater by batches saves money

    SciTech Connect

    Not Available

    1985-01-21

    This paper examines the Sequencing Batch Reactor which treats up to 6 million gal/d of wastewater in the batch mode rather than in the continuous stirred-tank reactor typical of biologically-based systems. It offers several advantages, chief of which is greater control over the biological reaction. The fully automatic system can quickly adapt to changing flow conditions, thereby contributing to the lower operating cost.

  11. Dissipation of hydrological tracers and the herbicide S-metolachlor in batch and continuous-flow wetlands.

    PubMed

    Maillard, Elodie; Lange, Jens; Schreiber, Steffi; Dollinger, Jeanne; Herbstritt, Barbara; Millet, Maurice; Imfeld, Gwenaël

    2016-02-01

    Pesticide dissipation in wetland systems with regard to hydrological conditions and operational modes is poorly known. Here, we investigated in artificial wetlands the impact of batch versus continuous-flow modes on the dissipation of the chiral herbicide S-metolachlor (S-MET) and hydrological tracers (bromide, uranine and sulforhodamine B). The wetlands received water contaminated with the commercial formulation Mercantor Gold(®) (960 g L(-1) of S-MET, 87% of the S-enantiomer). The tracer mass budget revealed that plant uptake, sorption, photo- and presumably biodegradation were prominent under batch mode (i.e. characterized by alternating oxic-anoxic conditions), in agreement with large dissipation of S-MET (90%) under batch mode. Degradation was the main dissipation pathway of S-MET in the wetlands. The degradate metolachlor oxanilic acid (MOXA) mainly formed under batch mode, whereas metolachlor ethanesulfonic acid (MESA) prevailed under continuous-flow mode, suggesting distinct degradation pathways in each wetland. R-enantiomer was preferentially degraded under batch mode, which indicated enantioselective biodegradation. The release of MESA and MOXA by the wetlands as well as the potential persistence of S-MET compared to R-MET under both oxic and anoxic conditions may be relevant for groundwater and ecotoxicological risk assessment. This study shows the effect of batch versus continuous modes on pollutant dissipation in wetlands, and that alternate biogeochemical conditions under batch mode enhance S-MET biodegradation.

  12. Water in Renewable Polymers: Nonequilibrium Thermodynamics

    NASA Astrophysics Data System (ADS)

    Elabd, Yossef

    2015-03-01

    The design of polymers derived from sustainable resources (renewable polymers) as replacements to nonrenewable plastics for various applications will require an accurate assessment and fundamental understanding of the dynamics water sorption in glassy polymers. In this work, water sorption and diffusion in a number of glassy polymers (including the renewable polymer poly(lactide)) were measured using gravimetric and spectroscopic techniques. Non-Fickian diffusion was observed in all polymers studied, which was indicated by rapid, initial water uptake (driven by a concentration gradient), followed by continuous, gradual uptake of water at later experimental times (driven by slow polymer relaxation). Additionally, water sorption in these glassy polymers was predicted using two nonequilibrium thermodynamic models, where excellent agreement between the model prediction and experimental data was achieved for both models. Furthermore, contrasting physical pictures of water clustering were obtained between the Zimm-Lundberg theory and direct measurements. National Science Foundation.

  13. 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.

  14. 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.

  15. 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)

  16. 21 CFR 211.188 - Batch production and control records.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 4 2011-04-01 2011-04-01 false Batch production and control records. 211.188... Reports § 211.188 Batch production and control records. Batch production and control records shall be prepared for each batch of drug product produced and shall include complete information relating to...

  17. 21 CFR 211.188 - Batch production and control records.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 4 2010-04-01 2010-04-01 false Batch production and control records. 211.188... Reports § 211.188 Batch production and control records. Batch production and control records shall be prepared for each batch of drug product produced and shall include complete information relating to...

  18. 21 CFR 211.188 - Batch production and control records.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 4 2014-04-01 2014-04-01 false Batch production and control records. 211.188... Reports § 211.188 Batch production and control records. Batch production and control records shall be prepared for each batch of drug product produced and shall include complete information relating to...

  19. 40 CFR 63.1321 - Batch process vents provisions.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 12 2014-07-01 2014-07-01 false Batch process vents provisions. 63... Batch process vents provisions. (a) Batch process vents. Except as specified in paragraphs (b) through (d) of this section, owners and operators of new and existing affected sources with batch...

  20. 21 CFR 211.188 - Batch production and control records.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 4 2013-04-01 2013-04-01 false Batch production and control records. 211.188... Reports § 211.188 Batch production and control records. Batch production and control records shall be prepared for each batch of drug product produced and shall include complete information relating to...

  1. 21 CFR 211.188 - Batch production and control records.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 4 2012-04-01 2012-04-01 false Batch production and control records. 211.188... Reports § 211.188 Batch production and control records. Batch production and control records shall be prepared for each batch of drug product produced and shall include complete information relating to...

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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

  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 mechanism for iodine species to black carbon.

    PubMed

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

    2013-09-17

    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 of ~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.

  9. Use of a batch-stirred reactor to rationally tailor biocatalytic polytransesterification

    SciTech Connect

    Kline, B.J.; Lele, S.S.; Lenart, P.J.; Beckman, E.J.; Russell, A.J.

    2000-02-20

    Despite favorable thermodynamics, high-molecular weight and low-dispersity polyesters are difficult to synthesize biocatalytically in organic solvents. The authors have reported previously that the elimination of solvent can improve the kinetics and apparent equilibrium significantly. The authors now present the design and use of a batch-stirred enzyme reactor to control the biocatalytic polymerization. Using the rector, polyester having a molecular weight of 23,400 Da and a polydispersity of 1.69 was synthesized in only 1 h at 60 C. Additional factors like enzyme-deactivation kinetics, enzyme specificity, and initial exothermicity were investigated to develop a better understanding of this complex reaction system.

  10. 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.

  11. 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

  12. 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.

  13. Optimal operation of multivessel batch distillation columns

    SciTech Connect

    Furlonge, H.I.; Pantelides, C.C.; Soerensen, E.

    1999-04-01

    Increased interest in unconventional batch distillation column configurations offers new opportunities for increasing the flexibility and energy efficiency of batch distillation. One configuration of particular interest is the multivessel column, which can be viewed as a generalization of all previously studied batch column configurations. A detailed dynamic model was used for comparing various optimal operating policies for a batch distillation column with two intermediate vessels. A wide variety of degrees of freedom including reflux ratios, product withdrawal rates, heat input to the reboiler, and initial feed distribution were considered. A mixture consisting of methanol, ethanol, n-propanol and n-butanol was studied using an objective function relating to the economics of the column operation. Optimizing the initial distribution of the feed among the vessels improved column performance significantly. For some separations, withdrawing product from the vessels into accumulators was better than total reflux operation in terms of energy consumption. Open-loop optimal operation was also compared to a recently proposed feedback control strategy where the controller parameters are optimized. The energy consumption of a regular column was about twice that of a multivessel column having the same number of stages.

  14. 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.

  15. Thermodynamics of ABC transporters.

    PubMed

    Zhang, Xuejun C; Han, Lei; Zhao, Yan

    2016-01-01

    ABC transporters form the largest of all transporter families, and their structural study has made tremendous progress over recent years. However, despite such advances, the precise mechanisms that determine the energy-coupling between ATP hydrolysis and the conformational changes following substrate binding remain to be elucidated. Here, we present our thermodynamic analysis for both ABC importers and exporters, and introduce the two new concepts of differential-binding energy and elastic conformational energy into the discussion. We hope that the structural analysis of ABC transporters will henceforth take thermodynamic aspects of transport mechanisms into account as well.

  16. 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.

  17. Beyond Equilibrium Thermodynamics

    NASA Astrophysics Data System (ADS)

    Öttinger, Hans Christian

    2005-01-01

    Beyond Equilibrium Thermodynamics fills a niche in the market by providing a comprehensive introduction to a new, emerging topic in the field. The importance of non-equilibrium thermodynamics is addressed in order to fully understand how a system works, whether it is in a biological system like the brain or a system that develops plastic. In order to fully grasp the subject, the book clearly explains the physical concepts and mathematics involved, as well as presenting problems and solutions; over 200 exercises and answers are included. Engineers, scientists, and applied mathematicians can all use the book to address their problems in modelling, calculating, and understanding dynamic responses of materials.

  18. Batch testing for noroviruses in frozen raspberries.

    PubMed

    De Keuckelaere, Ann; Li, Dan; Deliens, Bart; Stals, Ambroos; Uyttendaele, Mieke

    2015-01-01

    Berries, in particular raspberries, have been associated with multiple recalls due to norovirus contamination and were linked to a number of norovirus (NoV) outbreaks. In the present study a total of 130 samples of frozen raspberries were collected from 26 batches in four different raspberry processing companies. In two companies the samples consisted of bulk frozen raspberries serving as raw material for the production of raspberry puree (an intermediate food product in a business to business setting). In two other companies, the samples consisted of bulk individually quick frozen (IQF) raspberries serving as raw material for the production of frozen fruit mixes (as a final food product for consumer). Enumeration of Escherichia coli and coliforms was performed as well as real-time reverse transcription PCR (RT-qPCR) detection of GI and GII NoV (in 2 × 10 g). In addition, in cases where positive NoV GI or GII RT-qPCR signals were obtained, an attempt to sequence the amplicons was undertaken. Six out of 70 samples taken from the 14 batches of frozen raspberries serving raspberry puree production provided a NoV RT-qPCR signal confirmed by sequencing. Four of these six positive samples clustered in one batch whereas the other two positive samples clustered in another batch from the same company. All six positive samples showed NoV RT-qPCR signals above the limit of quantification of the RT-qPCR assay. These two positive batches of frozen raspberries can be classified as being of insufficient sanitary quality. The mean NoV level in 20 g of these raspberry samples was 4.3 log genomic copies NoV GI/20 g. The concern for public health is uncertain as NoV RT-qPCR detection is unable to discriminate between infectious and non-infectious virus particles. For the IQF raspberries, one batch out of 12 tested NoV positive, but only 1 out of the 5 samples analyzed in this batch showed a positive RT-qPCR GI NoV signal confirmed by sequencing. The RT-qPCR signal was below the

  19. Biological hydrogen production measured in batch anaerobic respirometers.

    PubMed

    Logan, Bruce E; Oh, Sang-Eun; Kim, In S; Van Ginkel, Steven

    2002-06-01

    The biological production of hydrogen from the fermentation of different substrates was examined in batch tests using heat-shocked mixed cultures with two techniques: an intermittent pressure release method (Owen method) and a continuous gas release method using a bubble measurement device (respirometric method). Under otherwise identical conditions, the respirometric method resulted in the production of 43% more hydrogen gas from glucose than the Owen method. The lower conversion of glucose to hydrogen using the Owen protocol may have been produced by repression of hydrogenase activity from high partial pressures in the gastight bottles, but this could not be proven using a thermodynamic/rate inhibition analysis. In the respirometric method, total pressure in the headspace never exceeded ambient pressure, and hydrogen typically composed as much as 62% of the headspace gas. High conversion efficiencies were consistently obtained with heat-shocked soils taken at different times and those stored for up to a month. Hydrogen gas composition was consistently in the range of 60-64% for glucose-grown cultures during logarithmic growth but declined in stationary cultures. Overall, hydrogen conversion efficiencies for glucose cultures were 23% based on the assumption of a maximum of 4 mol of hydrogen/ mol of glucose. Hydrogen conversion efficiencies were similar for sucrose (23%) and somewhat lower for molasses (15%) but were much lower for lactate (0.50%) and cellulose (0.075%).

  20. Sequencing batch biofilm reactor: from support design to reactor operation.

    PubMed

    Matos, M; Alves, C; Campos, J L; Brito, A G; Nogueira, R

    2011-07-01

    The aim of this work was to improve the overall understanding of sequencing batch biofilm reactors (SBBRs) from support selection (biofilm formation) to reactor operation (carbon and nitrogen removal). Supports manufactured with different materials and geometries were tested in 2.5 L SBBRs and it was observed that biofilm accumulation was favoured on the supports that presented a higher internal surface area. The geometry of the supports and the hydrodynamic conditions established in the SBBRs seemed to play a more important role in biofilm formation than the thermodynamic interaction, expressed as free energy of adhesion (deltaG), between the support material and the biomass. The support that presented the highest biofilm accumulation per unit of surface area (DupUM) was used in a 28 L SBBR and it was observed that, along a typical SBBR cycle, time profiles of nitrogen compounds showed the typical behaviour of nitrification and denitrification reactions. During the fill phase (without aeration) acetate was simultaneously consumed in biomass growth and denitrification. Immediately after the beginning of the aeration phase (without influent addition), acetate was depleted from the liquid phase and stored as poly-beta-hydroxybutyrate that was later on used in the growth of biomass, owing to the high oxygen concentration in the reactor.

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

    SciTech Connect

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

    2011-02-15

    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.

  2. 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.

  3. 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)

  4. 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)

  5. 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.

  6. 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.

  7. Thermodynamics in dynamical spacetimes

    NASA Astrophysics Data System (ADS)

    Tresguerres, Romualdo

    2014-03-01

    We derive a general formulation of the laws of irreversible thermodynamics in the presence of electromagnetism and gravity. For the handling of macroscopic material media, we use as a guide the field equations and the Noether identities of fundamental matter as deduced in the framework of gauge theories of the Poincaré ⊗ U(1) group.

  8. 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…

  9. 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.…

  10. Revisiting Verhulst and Monod models: analysis of batch and fed-batch cultures.

    PubMed

    Shirsat, Nishikant; Mohd, Avesh; Whelan, Jessica; English, Niall J; Glennon, Brian; Al-Rubeai, Mohamed

    2015-05-01

    The paper re-evaluates Verhulst and Monod models. It has been claimed that standard logistic equation cannot describe the decline phase of mammalian cells in batch and fed-batch cultures and in some cases it fails to fit somatic growth data. In the present work Verhulst, population-based mechanistic growth model was revisited to describe successfully viable cell density (VCD) in exponential and decline phases of batch and fed-batch cultures of three different CHO cell lines. Verhulst model constants, K, carrying capacity (VCD/ml or μg/ml) and r, intrinsic growth factor (h(-1)) have physical meaning and they are of biological significance. These two parameters together define the course of growth and productivity and therefore, they are valuable in optimisation of culture media, developing feeding strategies and selection of cell lines for productivity. The Verhulst growth model approach was extended to develop productivity models for batch and fed-batch cultures. All Verhulst models were validated against blind data (R(2) > 0.95). Critical examination of theoretical approaches concluded that Monod parameters have no physical meaning. Monod-hybrid (pseudo-mechanistic) batch models were validated against specific growth rates of respective bolus and continuous fed-batch cultures (R(2) ≈ 0.90). The reduced form of Monod-hybrid model CL/(KL + CL) describes specific growth rate during metabolic shift (R(2) ≈ 0.95). Verhulst substrate-based growth models compared favourably with Monod-hybrid models. Thus, experimental evidence implies that the constants in the Monod-hybrid model may not have physical meaning but they behave similarly to the biological constants in Michaelis-Menten enzyme kinetics, the basis of the Monod growth model.

  11. 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.

  12. 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

  13. Thermodynamic Curvature and Black Holes

    NASA Astrophysics Data System (ADS)

    Ruppeiner, George

    In my talk, I will discuss black hole thermodynamics, particularly what happens when you add thermodynamic curvature to the mix. Although black hole thermodynamics is a little off the main theme of this workshop, I hope nevertheless that my message will be of some interest to researchers in supersymmetry and supergravity.

  14. Uptake Mechanisms of Eu(III) on Hydroxyapatite: A Potential Permeable Reactive Barrier Backfill Material for Trapping Trivalent Minor Actinides.

    PubMed

    Xu, Lin; Zheng, Tao; Yang, Shitong; Zhang, Linjuan; Wang, Jianqiang; Liu, Wei; Chen, Lanhua; Diwu, Juan; Chai, Zhifang; Wang, Shuao

    2016-04-01

    The permeable reactive barrier (PRB) technique has attracted an increasing level of attention for the in situ remediation of contaminated groundwater. In this study, the macroscopic uptake behaviors and microscopic speciation of Eu(III) on hydroxyapatite (HAP) were investigated by a combination of theoretical modeling, batch experiments, powder X-ray diffraction (PXRD) fitting, and X-ray absorption spectroscopy (XAS). The underlying removal mechanisms were identified to further assess the application potential of HAP as an effective PRB backfill material. The macroscopic analysis revealed that nearly all dissolved Eu(III) in solution was removed at pH 6.5 within an extremely short reaction time of 5 min. In addition, the thermodynamic calculations, desorption experiments, and PXRD and XAS analyses definitely confirmed the formation of the EuPO4·H2O(s) phase during the process of uptake of dissolved Eu(III) by HAP via the dissolution-precipitation mechanism. A detailed comparison of the present experimental findings and related HAP-metal systems suggests that the relative contribution of precipitation to the total Eu(III) removal increases as the P:Eu ratio decreases. The dosage of HAP-based PRB for the remediation of groundwater polluted by Eu(III) and analogous trivalent actinides [e.g., Am(III) and Cm(III)] should be strictly controlled depending on the dissolved Eu(III) concentration to obtain an optimal P:M (M represents Eu, Am, or Cm) ratio and treatment efficiency.

  15. Uptake Mechanisms of Eu(III) on Hydroxyapatite: A Potential Permeable Reactive Barrier Backfill Material for Trapping Trivalent Minor Actinides.

    PubMed

    Xu, Lin; Zheng, Tao; Yang, Shitong; Zhang, Linjuan; Wang, Jianqiang; Liu, Wei; Chen, Lanhua; Diwu, Juan; Chai, Zhifang; Wang, Shuao

    2016-04-01

    The permeable reactive barrier (PRB) technique has attracted an increasing level of attention for the in situ remediation of contaminated groundwater. In this study, the macroscopic uptake behaviors and microscopic speciation of Eu(III) on hydroxyapatite (HAP) were investigated by a combination of theoretical modeling, batch experiments, powder X-ray diffraction (PXRD) fitting, and X-ray absorption spectroscopy (XAS). The underlying removal mechanisms were identified to further assess the application potential of HAP as an effective PRB backfill material. The macroscopic analysis revealed that nearly all dissolved Eu(III) in solution was removed at pH 6.5 within an extremely short reaction time of 5 min. In addition, the thermodynamic calculations, desorption experiments, and PXRD and XAS analyses definitely confirmed the formation of the EuPO4·H2O(s) phase during the process of uptake of dissolved Eu(III) by HAP via the dissolution-precipitation mechanism. A detailed comparison of the present experimental findings and related HAP-metal systems suggests that the relative contribution of precipitation to the total Eu(III) removal increases as the P:Eu ratio decreases. The dosage of HAP-based PRB for the remediation of groundwater polluted by Eu(III) and analogous trivalent actinides [e.g., Am(III) and Cm(III)] should be strictly controlled depending on the dissolved Eu(III) concentration to obtain an optimal P:M (M represents Eu, Am, or Cm) ratio and treatment efficiency. PMID:26965642

  16. 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

  17. 3. INSIDE BATCH FURNACE BUILDING, VIEW LOOKING NORTH AT REGENERATIVE ...

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

    3. INSIDE BATCH FURNACE BUILDING, VIEW LOOKING NORTH AT REGENERATIVE BATCH FURNACES ON LEFT AND 5 TON CAPACITY CHARGING MACHINE ON RIGHT. - U.S. Steel Duquesne Works, 22-Inch Bar Mill, Along Monongahela River, Duquesne, Allegheny County, PA

  18. 7. NORTHWEST VIEW OF FLUX CONVEYORS FEEDING BATCH HOPPERS ON ...

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

    7. NORTHWEST VIEW OF FLUX CONVEYORS FEEDING BATCH HOPPERS ON THE BATCHING FLOOR OF THE FURNACE AISLE IN THE BOP SHOP. - U.S. Steel Duquesne Works, Basic Oxygen Steelmaking Plant, Along Monongahela River, Duquesne, Allegheny County, PA

  19. 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.

  20. VIEW OF BATCH STORAGE SILOS LOOKING NORTHEAST FROM DREY STREET, ...

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

    VIEW OF BATCH STORAGE SILOS LOOKING NORTHEAST FROM DREY STREET, SHOWING RUINS OF BOILER HOUSE WITH SALVAGED MACHINERY IN FOREGROUND - Chambers Window Glass Company, Batch Plant, North of Drey (Nineteenth) Street, West of Constitution Boulevard, Arnold, Westmoreland County, PA

  1. GENERAL VIEW OF BATCH PLANT, CONVEYOR AND GLASS FURNACE STACK ...

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

    GENERAL VIEW OF BATCH PLANT, CONVEYOR AND GLASS FURNACE STACK LOOKING NORTHEAST FROM DREY STREET - Chambers Window Glass Company, Batch Plant, North of Drey (Nineteenth) Street, West of Constitution Boulevard, Arnold, Westmoreland County, PA

  2. DETAIL VIEW OF BATCH BIN AFTER PLANT DEMOLITION, LOOKING EAST ...

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

    DETAIL VIEW OF BATCH BIN AFTER PLANT DEMOLITION, LOOKING EAST TOWARD ARNOLD - Chambers Window Glass Company, Batch Plant, North of Drey (Nineteenth) Street, West of Constitution Boulevard, Arnold, Westmoreland County, PA

  3. 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.

  4. Amino acid uptake profiling of wild type and recombinant Streptomyces lividans TK24 batch fermentations.

    PubMed

    D'Huys, Pieter-Jan; Lule, Ivan; Van Hove, Sven; Vercammen, Dominique; Wouters, Christine; Bernaerts, Kristel; Anné, Jozef; Van Impe, Jan F M

    2011-04-10

    Streptomyces lividans is considered an interesting host for the secretory production of heterologous proteins. To obtain a good secretion yield of heterologous proteins, the availability of suitable nitrogen sources in the medium is required. Often, undefined mixtures of amino acids are used to improve protein yields. However, the understanding of amino acid utilization as well as their contribution to the heterologous protein synthesis is poor. In this paper, amino acid utilization by wild type and recombinant S. lividans TK24 growing on a minimal medium supplemented with casamino acids is profiled by intensive analysis of the exometabolome (metabolic footprint) as a function of time. Dynamics of biomass, substrates, by-products and heterologous protein are characterized, analyzed and compared. As an exemplary protein mouse Tumor Necrosis Factor Alpha (mTNF-α) is considered. Results unveil preferential glutamate and aspartate assimilation, together with glucose and ammonium, but the associated high biomass growth rate is unfavorable for protein production. Excretion of organic acids as well as alanine is observed. Pyruvate and alanine overflow point at an imbalance between carbon and nitrogen catabolism and biosynthetic fluxes. Lactate secretion is probably related to clump formation. Heterologous protein production induces a slowdown in growth, denser clump formation and a shift in metabolism, as reflected in the altered substrate requirements and overflow pattern. Besides glutamate and aspartate, most amino acids are catabolized, however, their exact contribution in heterologous protein production could not be seized from macroscopic quantities. The metabolic footprints presented in this paper provide a first insight into the impact and relevance of amino acids on biomass growth and protein production. Type and availability of substrates together with biomass growth rate and morphology affect the protein secretion efficiency and should be optimally controlled, e.g., by appropriate medium formulation and substrate dosing. Overflow metabolism as well as high biomass growth rates must be avoided because they reduce protein yields. Further investigation of the intracellular metabolic fluxes should be conducted to fully unravel and identify ways to relieve the metabolic burden of plasmid maintenance and heterologous protein production and to prevent overflow.

  5. Pollution prevention applications in batch manufacturing operations

    NASA Astrophysics Data System (ADS)

    Sykes, Derek W.; O'Shaughnessy, James

    2004-02-01

    Older, "low-tech" batch manufacturing operations are often fertile grounds for gains resulting from pollution prevention techniques. This paper presents a pollution prevention technique utilized for wastewater discharge permit compliance purposes at a batch manufacturer of detergents, deodorants, and floor-care products. This manufacturer generated industrial wastewater as a result of equipment rinses required after each product batch changeover. After investing a significant amount of capital on end of pip-line wastewater treatment technology designed to address existing discharge limits, this manufacturer chose to investigate alternate, low-cost approaches to address anticipated new permit limits. Mass balances using spreadsheets and readily available formulation and production data were conducted on over 300 products to determine how each individual product contributed to the total wastewater pollutant load. These mass balances indicated that 22 products accounted for over 55% of the wastewater pollutant. Laboratory tests were conducted to determine whether these same products could accept their individual changeover rinse water as make-up water in formulations without sacrificing product quality. This changeover reuse technique was then implement at the plant scale for selected products. Significant reductions in wastewater volume (25%) and wastewater pollutant loading (85+%) were realized as a direct result of this approach.

  6. 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...

  7. 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...

  8. 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...

  9. 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...

  10. 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...

  11. 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) Immediately upon notification that a batch of color additive has been certified, the person...

  12. 40 CFR 63.1321 - Batch process vents provisions.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 11 2011-07-01 2011-07-01 false Batch process vents provisions. 63... 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...

  13. 21 CFR 80.37 - Treatment of batch pending certification.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 1 2012-04-01 2012-04-01 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...

  14. 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 batch process vents located at new or existing affected sources shall comply with paragraph (a)(1) or...

  15. 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...

  16. 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...

  17. 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...

  18. 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 batch process vents located at new or existing affected sources shall comply with paragraph (a)(1) or...

  19. 21 CFR 80.37 - Treatment of batch pending certification.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 1 2013-04-01 2013-04-01 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...

  20. 21 CFR 80.37 - Treatment of batch pending certification.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 1 2014-04-01 2014-04-01 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...

  1. 40 CFR 63.1321 - Batch process vents provisions.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 12 2012-07-01 2011-07-01 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...

  2. 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 batch process vents located at new or existing affected sources shall comply with paragraph (a)(1) or...

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

  6. 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... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the optional ingredients, shall be thoroughly commingled and the contents pasteurized at a temperature of at least 158...

  7. 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... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the optional ingredients, shall be thoroughly commingled and the contents pasteurized at a temperature of at least 158...

  8. 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... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the optional ingredients, shall be thoroughly commingled and the contents pasteurized at a temperature of at least 158...

  9. 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... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the optional ingredients, shall be thoroughly commingled and the contents pasteurized at a temperature of at least 158...

  10. 7 CFR 58.728 - Cooking the batch.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 3 2010-01-01 2010-01-01 false Cooking the batch. 58.728 Section 58.728 Agriculture... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the optional ingredients, shall be thoroughly commingled and the contents pasteurized at a temperature of at least 158...

  11. 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…

  12. 40 CFR 63.1408 - Aggregate batch vent stream provisions.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 12 2013-07-01 2013-07-01 false Aggregate batch vent stream provisions... Resins § 63.1408 Aggregate batch vent stream provisions. (a) Emission standards. Owners or operators of aggregate batch vent streams at a new or existing affected source shall comply with either paragraph...

  13. 40 CFR 63.1408 - Aggregate batch vent stream provisions.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 11 2011-07-01 2011-07-01 false Aggregate batch vent stream provisions... § 63.1408 Aggregate batch vent stream provisions. (a) Emission standards. Owners or operators of aggregate batch vent streams at a new or existing affected source shall comply with either paragraph...

  14. 40 CFR 63.1408 - Aggregate batch vent stream provisions.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 12 2014-07-01 2014-07-01 false Aggregate batch vent stream provisions... Resins § 63.1408 Aggregate batch vent stream provisions. (a) Emission standards. Owners or operators of aggregate batch vent streams at a new or existing affected source shall comply with either paragraph...

  15. 40 CFR 63.1321 - Batch process vents provisions.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... vent streams except as specified in paragraphs (b)(1) through (b)(2) of this section. For continuous... and aggregate batch vent streams, the control requirements for individual batch process vents or aggregate batch vent streams (e.g., 90 percent emission reduction) as specified in § 63.1322(a)(1),...

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

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 11 2010-07-01 2010-07-01 true Aggregate batch vent stream provisions... § 63.1408 Aggregate batch vent stream provisions. (a) Emission standards. Owners or operators of aggregate batch vent streams at a new or existing affected source shall comply with either paragraph...

  17. 40 CFR 63.1408 - Aggregate batch vent stream provisions.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 12 2012-07-01 2011-07-01 true Aggregate batch vent stream provisions... § 63.1408 Aggregate batch vent stream provisions. (a) Emission standards. Owners or operators of aggregate batch vent streams at a new or existing affected source shall comply with either paragraph...

  18. 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

  19. Monitoring pH and electric conductivity in an EBPR sequencing batch reactor.

    PubMed

    Serralta, J; Borrás, L; Blanco, C; Barat, R; Seco, A

    2004-01-01

    This paper presents laboratory-scale experimentation carried out to study enhanced biological phosphorus removal. Two anaerobic aerobic (A/O) sequencing batch reactors (SBR) have been operated during more than one year to investigate the information provided by monitoring pH and electric conductivity under stationary and transient conditions. Continuous measurements of these parameters allow detecting the end of anaerobic phosphorus release, of aerobic phosphorus uptake and of initial denitrification, as well as incomplete acetic acid uptake. These results suggest the possibility of using pH and electric conductivity as control parameters to determine the length of both anaerobic and aerobic phases in an A/O SBR. More valuable information provided by monitoring pH and electric conductivity is the relation between the amount of phosphorus released and the conductivity increase observed during the anaerobic stages and which group of bacteria (heterotrophic or polyphosphate accumulating) is carrying out the denitrification process.

  20. 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.

  1. 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.

  2. 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.

  3. 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).

  4. 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.

  5. 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

  6. Statistical Thermodynamics and Microscale Thermophysics

    NASA Astrophysics Data System (ADS)

    Carey, Van P.

    1999-08-01

    Many exciting new developments in microscale engineering are based on the application of traditional principles of statistical thermodynamics. In this text Van Carey offers a modern view of thermodynamics, interweaving classical and statistical thermodynamic principles and applying them to current engineering systems. He begins with coverage of microscale energy storage mechanisms from a quantum mechanics perspective and then develops the fundamental elements of classical and statistical thermodynamics. Subsequent chapters discuss applications of equilibrium statistical thermodynamics to solid, liquid, and gas phase systems. The remainder of the book is devoted to nonequilibrium thermodynamics of transport phenomena and to nonequilibrium effects and noncontinuum behavior at the microscale. Although the text emphasizes mathematical development, Carey includes many examples and exercises to illustrate how the theoretical concepts are applied to systems of scientific and engineering interest. In the process he offers a fresh view of statistical thermodynamics for advanced undergraduate and graduate students, as well as practitioners, in mechanical, chemical, and materials engineering.

  7. CODATA thermodynamic tables

    SciTech Connect

    Garvin, D.; Parker, V.B.; White, H.J. Jr.

    1987-01-01

    Recommended values are presented for chemical thermodynamic properties of selected compounds of calcium and their mixtures. These have been prepared in accord with a previously developed plan and as a test of it. All values in the present table are mutually consistent and are consistent with the CODATA Key Values for Thermodynamics. The values are recommended for general use. This work has been an activity of the CODATA Task Group on Chemical Thermodynamic Tables. The evaluated data are for common compounds of calcium (element, oxide, hydroxide, peroxide, fluoride, sulfate, nitrate and carbonate, their hydrates and their ions in aqueous solution) and for three systems: Ca-Mg, CaCl/sub 2/-KCl and CaCl/sub 2/-H/sub 2/O. Forty one tables of thermal functions (heat capacity, entropy, enthalpy, and Gibbs energy functions) are given for those compounds of magnesium, calcium and potassium for which the properties have been evaluated in this work. Twenty four tables of thermal functions are given for auxiliary substances. Each table spans the temperature range 0 to 4000 K, to the extent that data are available. Formation properties at 298.15 K (enthalpy and Gibbs energy of formation) are given for 68 compounds of calcium, magnesium and potassium plus the relevant values for 54 auxiliary substances.

  8. 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.

  9. 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.

  10. 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

  11. 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

  12. 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.

  13. 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

  14. Mitochondrial calcium uptake.

    PubMed

    Williams, George S B; Boyman, Liron; Chikando, Aristide C; Khairallah, Ramzi J; Lederer, W J

    2013-06-25

    Calcium (Ca(2+)) uptake into the mitochondrial matrix is critically important to cellular function. As a regulator of matrix Ca(2+) levels, this flux influences energy production and can initiate cell death. If large, this flux could potentially alter intracellular Ca(2+) ([Ca(2+)]i) signals. Despite years of study, fundamental disagreements on the extent and speed of mitochondrial Ca(2+) uptake still exist. Here, we review and quantitatively analyze mitochondrial Ca(2+) uptake fluxes from different tissues and interpret the results with respect to the recently proposed mitochondrial Ca(2+) uniporter (MCU) candidate. This quantitative analysis yields four clear results: (i) under physiological conditions, Ca(2+) influx into the mitochondria via the MCU is small relative to other cytosolic Ca(2+) extrusion pathways; (ii) single MCU conductance is ∼6-7 pS (105 mM [Ca(2+)]), and MCU flux appears to be modulated by [Ca(2+)]i, suggesting Ca(2+) regulation of MCU open probability (P(O)); (iii) in the heart, two features are clear: the number of MCU channels per mitochondrion can be calculated, and MCU probability is low under normal conditions; and (iv) in skeletal muscle and liver cells, uptake per mitochondrion varies in magnitude but total uptake per cell still appears to be modest. Based on our analysis of available quantitative data, we conclude that although Ca(2+) critically regulates mitochondrial function, the mitochondria do not act as a significant dynamic buffer of cytosolic Ca(2+) under physiological conditions. Nevertheless, with prolonged (superphysiological) elevations of [Ca(2+)]i, mitochondrial Ca(2+) uptake can increase 10- to 1,000-fold and begin to shape [Ca(2+)]i dynamics.

  15. The batch study of Sr(2+) sorption by bone char.

    PubMed

    Smiciklas, I; Dimovic, S; Sljivic, M; Plecas, I

    2008-02-01

    Considering the excellent sorption properties of synthetic calcium hydroxyapatite (HAP) towards many divalent cations, the potential application of bone char, the natural source of HAP, for sequestering Sr(2+)ions from aqueous solutions has been studied in batch conditions. Contact time, initial solution pH and initial Sr(2+) concentrations were varied to examine the effect of these process parameters on the amount of Sr(2+) sorbed. The kinetics of Sr(2+) sorption was found to be a 2-step process, with contact time of 24 h required for attaining equilibrium. The sorption isotherm was well fitted with Langmuir and DKR theoretical models. Sorption of Sr(2+) on bone char was found to be a favorable, thermodynamically feasible and spontaneous process, with the maximum sorption capacity of 0.271 mmol/g and sorption energy of 11.09 kJ/mol. The sorption was pH-independent in the initial pH range 4-10, as a result of excellent buffering properties of bone char (constant final pH), while for pH > 10 sorbed amounts of Sr(2+) increased due to attractive electrostatic forces between negatively charged sorbent surface and positively charged metal ions. On the basis of the amount of Ca(2+) released and final pH decrease in respect to the point of zero charge of bone char (pH(PZC)), two possible mechanisms of Sr(2+) sorption were identified: ion-exchange and the formation of complex compounds with HAP and carbon active surface sites. The amounts of Sr(2+) leached from bone char increased with the increase of Ca(2+) content and the decrease of solution pH. In comparison with synthetic HAP, bone char represents a cost-effective alternative for Sr(2+) sequestering. PMID:18172814

  16. Batch treatment controls corrosion in pumping wells

    SciTech Connect

    Evans, S.; Doran, C.R.

    1984-02-01

    Conoco recently developed a batch treatment program to control corrosion in sucker rod pumped wells. The program was intended to prolong equipment life, reduce pulling jobs and cut operating costs. Tested on MCA Unit near Maljamar in southeast New Mexico, and since applied to more than 400 producing wells near Hobbs, the new program has been remarkably successful. Pulling jobs, which had totaled 178 a year at MCA Unit, dropped to 50 a year, reduced inhibitor requirements cut treatment costs by an estimated $6,100 per month and production increased.

  17. 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

  18. 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

  19. RNA Thermodynamic Structural Entropy.

    PubMed

    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

  20. Short-term algal toxicity test based on phosphate uptake.

    PubMed

    Kaneko, H Hidehiro; Shimada, Akiko; Hirayama, Kimiaki

    2004-04-01

    In order to develop a short-term algal toxicity test, the growth of and the phosphate uptake by the green alga Selenastrum capricornutum during batch culture were observed. In the control medium, S. capricornutum took up phosphate earlier than it grew. It was also observed that the phosphate uptake was inhibited by the presence of a toxicant. From these results, phosphate uptake was considered as one of the useful effect parameters for a short-term algal toxicity test. As the removal rate of phosphate from the medium is a function of the amount of algal cell initially inoculated, the test period is variable. The relationship between the amount of inoculation and phosphate uptake was examined and the test conditions suitable for a 3-h toxicity test were established as one example. According to this test procedure, the inhibitory effect of some toxicants on the phosphate uptake was determined. For comparison, a conventional algal assay based on algal growth was also performed. The EC50s for both tests were close. This indicated that the algal toxicity test method proposed in this paper would be useful for the uses where rapidity is required. PMID:15087199

  1. 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

  2. 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.

  3. Interfacial solvation thermodynamics

    NASA Astrophysics Data System (ADS)

    Ben-Amotz, Dor

    2016-10-01

    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.

  4. Thermodynamics of paracrystalline silicon

    SciTech Connect

    Voyles, P. M.; Treacy, M. M. J.; Gibson, J. M.

    2000-05-09

    Fluctuation microscopy experiments have shown that the as-deposited structure of amorphous silicon thin films is paracrystalline. A paracrystal consists of small (< 3 nm in diameter) topologically crystalline grains separated by a disordered matrix. Here the authors consider the thermodynamics of paracrystalline silicon as a function of the grain size and the temperature. They offer a simple model that qualitatively explains the observed metastability of the ordered structure at low temperature (300 K), the relaxation towards a more disordered structure at intermediate temperatures (600 K), and the recrystallization at high temperatures (1,000 K).

  5. 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.

  6. Thermodynamics of Rubber Elasticity

    NASA Astrophysics Data System (ADS)

    Pellicer, J.; Manzanares, J. A.; Zúñiga, J.; Utrillas, P.; Fernández, J.

    2001-02-01

    A thermodynamic study of an isotropic rubber band under uniaxial stress is presented on the basis of its equation of state. The behavior of the rubber band is compared with both that of an ideal elastomer and that of an ideal gas, considering the generalized Joule's law as the ideality criterion. First, the thermal expansion of rubber at constant stress and the change in the stress with temperature at constant length are described. Thermoelastic inversion is then considered, and the experimental observations are easily rationalized. Finally, the temperature changes observed in the adiabatic stretching of a rubber band are evaluated from the decrease of entropy with length.

  7. 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.

  8. Transfer of Campylobacter from a Positive Batch to Broiler Carcasses of a Subsequently Slaughtered Negative Batch: A Quantitative Approach.

    PubMed

    Seliwiorstow, Tomasz; Baré, Julie; Van Damme, Inge; Gisbert Algaba, Ignacio; Uyttendaele, Mieke; De Zutter, Lieven

    2016-06-01

    The present study was conducted to quantify Campylobacter cross-contamination from a positive batch of broiler chicken carcasses to a negative batch at selected processing steps and to evaluate the duration of this cross-contamination. During each of nine visits conducted in three broiler slaughterhouses, Campylobacter levels were determined on broiler carcasses originating from Campylobacter-negative batches processed immediately after Campylobacter-positive batches. Data were collected after four steps during the slaughter process (scalding, plucking, evisceration, and washing) at 1, 10, and 20 min after the start of the slaughter of the batches. Campylobacter levels in ceca of birds from Campylobacter-positive batches ranged from 5.62 to 9.82 log CFU/g. When the preceding positive batch was colonized at a low level, no (enumerable) carcass contamination was found in a subsequent negative batch. However, when Campylobacter levels were high in the positive batch, Campylobacter was found on carcasses of the subsequent negative batch but at levels significantly lower than those found on carcasses from the preceding positive batch. The scalding and the evisceration process contributed the least (< 1.5 log CFU/g) and the most (up to 4 log CFU/ g), respectively, to the Campylobacter transmission from a positive batch to a negative batch. Additionally, the number of Campylobacter cells transferred from positive to negative batches decreased over the first 20 min of sampling time. However, the reduction was slower than previously estimated in risk assessment studies, suggesting that pathogen transfer during crosscontamination is a complex process.

  9. Conversion of batch to molten glass, I: Volume expansion

    SciTech Connect

    Henager, Samuel H; Hrma, Pavel R; Swearingen, Kevin J; Schweiger, Michael J; Marcial, Jose; Tegrotenhuis, Nathan E

    2011-02-01

    Batches designed to simulate nuclear high-level waste glass were compressed into pellets that were heated at a rate of 5 K/min and photographed to obtain the profile area as a function of temperature. Three types of batches were prepared with different nitrate-carbonate ratios. To determine the impact of the heat supply by an exothermic reaction and the batch expansion, the nitrated batches were prepared with varying addition of sucrose. To obtain the impact of the grain size of the quartz component, the mixed nitrate-carbonate batches were prepared with silica particles ranging in size from 5 µm to 195 µm. One batch containing only carbonates was also tested. Sucrose addition had little effect on the batch expansion, while the size of silica was very influential. The 5-μm grains had a strongest effect, causing the generation of both primary and secondary foam, whereas only secondary foam was produced in batches with grains of 45 µm and larger. The retention of gases evolved as the batch melts creates primary foam. Gases evolved from oxidation-reduction reactions once the batch has melted produce secondary foam. We suggest that the viscosity of the melt and the amount of gas evolved are the main influences on foam production. As more gas is produced in the melt and as the glass becomes less viscous, the bubbles of gas coalesce into larger and larger cavities, until the glass can no longer contain the bubbles and they burst, causing the foam to collapse.

  10. Thermodynamics of Accelerating Black Holes

    NASA Astrophysics Data System (ADS)

    Appels, Michael; Gregory, Ruth; KubizÅák, David

    2016-09-01

    We address a long-standing problem of describing the thermodynamics of an accelerating black hole. We derive a standard first law of black hole thermodynamics, with the usual identification of entropy proportional to the area of the event horizon—even though the event horizon contains a conical singularity. This result not only extends the applicability of black hole thermodynamics to realms previously not anticipated, it also opens a possibility for studying novel properties of an important class of exact radiative solutions of Einstein equations describing accelerated objects. We discuss the thermodynamic volume, stability, and phase structure of these black holes.

  11. 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

  12. 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

  13. 21 CFR 111.260 - What must the batch record include?

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 2 2014-04-01 2014-04-01 false What must the batch record include? 111.260... for the Batch Production Record § 111.260 What must the batch record include? The batch production record must include the following: (a) The batch, lot, or control number: (1) Of the finished batch...

  14. 21 CFR 111.260 - What must the batch record include?

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 2 2010-04-01 2010-04-01 false What must the batch record include? 111.260... for the Batch Production Record § 111.260 What must the batch record include? The batch production record must include the following: (a) The batch, lot, or control number: (1) Of the finished batch...

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Thermodynamic constraints on microbial iron oxide reduction

    NASA Astrophysics Data System (ADS)

    Bonneville, S.; Behrends, T.; Haese, R.; van Cappellen, P.

    2003-04-01

    Iron oxides are ubiquitous reactive constituents of soils, sediments and aquifers. They exhibit large surface areas which bind trace metals, nutrients and organic molecules. Under suboxic conditions, iron oxides can reductively dissolve via several abiotic and microbial pathways. In particular, they serve as terminal electron acceptors for the oxidation of organic matter by iron reducing bacteria. The aim of our study was to determine the thermodynamic energy yields of dissimilatory iron reduction for different Fe(III) substrates. We used the facultative anaerobic gram-positive bacterium Shewanella putrefaciens as model iron reducing bacterium, with ferrihydrite, hematite, goethite or Fe(III)-salicylate as electron acceptor, and lactate as electron donor. Experiments were conducted in an anaerobic pH-stat batch reactor, equipped with a polarographic electrode to monitor in situ the dissolved ferrous iron activity. The stoichiometry of total Fe(II) production and acid consumption during the experiments indicated that lactate was oxidized to acetate. From the Fe(II) activity and redox potential measurements, free energy yields were calculated for Fe(III) reduction coupled to lactate oxidation. The results showed that the redox potential of the overall reaction was poised by equilibrium between the Fe(III)-substrate and aqueous Fe(II). Hence, the energy yields decreased in the order ferrihydrite > Fe(III)-salicylate > hematite > goethite. Accumulation of Fe(II) in solution only caused small decreases in the energy yields over the course of the experiments. Cessation of iron reduction, which was observed in all experiments, was therefore not due to thermodynamic limitation, but more likely reflected the decline in cell level of activity.

  20. Removal of malathion from aqueous solution using De-Acidite FF-IP resin and determination by UPLC-MS/MS: equilibrium, kinetics and thermodynamics studies.

    PubMed

    Naushad, Mu; Alothman, Z A; Khan, M R

    2013-10-15

    In the present study, De-Acidite FF-IP resin was used to remove a highly toxic and persistent organophosphorus pesticide (malathion) from the aqueous solution. Batch experiments were performed as a function of various experimental parameters such as effect of pH (2-10), contact time (10-120 min), resin dose (0.05-0.5 g), initial malathion concentration (0.5-2.5 µg mL(-1)) and temperature (25-65°C). The concentration of malathion was determined using a sensitive, selective and rapid ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) method. The uptake rate of malathion on De-Acidite FF-IP resin was rapid and equilibrium established within 40 min. Kinetics studies showed better applicability for pseudo-second-order model. The equilibrium data was fitted to Langmuir and Freundlich isotherm models and the isotherm constants were calculated for malathion. The values of thermodynamic parameters (ΔG(0), ΔH(0) and ΔS(0)) were computed from the Van't Hoff plot of lnKC vs. 1/T which showed that the adsorption of malathion was feasible, endothermic and spontaneous. The regeneration studies were carried out which demonstrated a decrease in the recovery of malathion from 95% to 68% after five consecutive cycles. Breakthrough and exhaustive capacities of malathion were found to be 1.25 mg g(-1) and 3.5 mg g(-1), respectively.

  1. Batch Model for Batched Timestamps Data Analysis with Application to the SSA Disability Program

    PubMed Central

    Yue, Qingqi; Yuan, Ao; Che, Xuan; Huynh, Minh; Zhou, Chunxiao

    2016-01-01

    The Office of Disability Adjudication and Review (ODAR) is responsible for holding hearings, issuing decisions, and reviewing appeals as part of the Social Security Administration’s disability determining process. In order to control and process cases, the ODAR has established a Case Processing and Management System (CPMS) to record management information since December 2003. The CPMS provides a detailed case status history for each case. Due to the large number of appeal requests and limited resources, the number of pending claims at ODAR was over one million cases by March 31, 2015. Our National Institutes of Health (NIH) team collaborated with SSA and developed a Case Status Change Model (CSCM) project to meet the ODAR’s urgent need of reducing backlogs and improve hearings and appeals process. One of the key issues in our CSCM project is to estimate the expected service time and its variation for each case status code. The challenge is that the systems recorded job departure times may not be the true job finished times. As the CPMS timestamps data of case status codes showed apparent batch patterns, we proposed a batch model and applied the constrained least squares method to estimate the mean service times and the variances. We also proposed a batch search algorithm to determine the optimal batch partition, as no batch partition was given in the real data. Simulation studies were conducted to evaluate the performance of the proposed methods. Finally, we applied the method to analyze a real CPMS data from ODAR/SSA. PMID:27747132

  2. 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)

  3. 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…

  4. 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.

  5. MELT RATE TESTING FOR SLUDGE BATCH 6

    SciTech Connect

    Fox, K.; Miller, D.; Pickenheim, B.

    2010-05-13

    The Savannah River National Laboratory (SRNL) was requested to provide Savannah River Remediation (SRR) with a recommended frit composition for Sludge Batch 6 (SB6) to optimize processing at the Defense Waste Processing Facility (DWPF). This report discusses the results of a series of melt rate experiments that were completed in support of the frit recommendation and the preparation of the feed used in the testing. The objective of the work was to identify the impact of individual frit component concentrations on melt rate for both SB6 and for DWPF sludge batches in general. The dry fed, Melt Rate Furnace (MRF) was used to compare the relative melt rate performance of several candidate frit compositions. Sludge composition projection changes and variation led to the fabrication and testing of several new frits along with Frit 418, which is currently utilized at the DWPF for Sludge Batch 5 (SB5) processing. The melt rate testing results show that changes in the frit composition, such as increases in B{sub 2}O{sub 3} or Li{sub 2}O concentrations, can provide a faster melt rate for SB6 relative to Frit 418. However, the composition of SB6 as currently projected (February 2010 blended with a 40 inch heel of SB5) does not allow for significant changes in frit composition relative to Frit 418 without compromising the projected operating windows. Only one of the new frits tested, Frit IS7, remains viable for SB6 processing based on the current composition projections. The melt rate results also demonstrated that a low Na{sub 2}O concentration frit (particularly Frit IS7) can provide reasonable melt rates if the concentrations of Li{sub 2}O or B{sub 2}O{sub 3} in the frit are increased. The measured melt rate for Frit IS7 with the simulated SB6 feed was about 15% faster than that for Frit 418. The projected operating windows for Frits 418 and IS7 are very similar with the current SB6 projections. However, waste loadings with Frit IS7 are limited by low viscosity

  6. Thermodynamics and Spontaneity

    NASA Astrophysics Data System (ADS)

    Ochs, Raymond S.

    1996-10-01

    Despite the importance of thermodynamics as the foundation of chemistry, most students emerge from introductory courses with only a dim understanding of this subject. Generally students recognize that the information is significant, yet do not assimilate it into later studies, especially in applied fields such as biology and biochemistry. A clear sense of the problem is reflected in a number of other contributions to this Journal (e.g., 1 - 6). Most (1 - 4, 6) recommend increased rigor in derivation of equations. This may appeal to students in advanced courses in chemical thermodynamics, but not to most. A few other suggestions are to introduce the subject earlier in general chemistry courses (2) or to provide innovative ways to visualize reaction changes (3). I suggest that the problem lies at another level entirely: the meanings of the terms are not clear. Recently, MacNeal (7) introduced the concept of mathsemantics, the joining of mathematics with a deep understanding of the sense (semantics) in which it operates. For example, the author argues that not only can we add apples and oranges (yielding total fruit), but that anything less than such a synthesis is trivial. Mathematics is hard, not because of the actual mathematical part of the problem but because of the semantics. As discussed thoroughly by Weinburg (8), the very names we affix to ideas dominate how we think about them. A similar reorientation would benefit chemical education. By way of example, the word "spontaneous" is widely used in thermodynamics, presumably because the word is familiar and assists understanding of this subject. In the following, I will provide evidence that this word has contributed more to the obfuscation of chemical ideas than it has helped elucidate them. Literature Cited 1. Redlich, O. J. Chem. Educ. 1975, 52, 374 - 376. 2. Bergquist, W.; Heikkinen, H. J. Chem. Educ. 1990, 67, 1000 - 1003. 3. Macomber, R. S. J. Chem. Educ. 1994, 71, 311 - 312. 4. Sanchez, K. S.; Vergenz, R

  7. New Horizons in Thermodynamics

    NASA Astrophysics Data System (ADS)

    Hayward, Geoffrey Gordon

    1991-02-01

    This thesis collects five papers which treat the theory of horizon thermodynamics and its applications to cosmology. In the first paper I consider general, spherically symmetric spacetimes with cosmological and black hole horizons. I find that a state of thermal equilibrium may exist in classical manifolds with two horizons so long as a matter distribution is present. I calculate the Euclidean action for non-classical manifolds with and without boundary and relate it to the grand canonical weighting factor. I find that the mean thermal energy of the cosmological horizon is negative. In the second paper I derive the first law of thermodynamics for bounded, static, spherically symmetric spacetimes which include a matter distribution and either a black hole or cosmological horizon. I calculate heat capacities associated with matter/horizon systems and find that they may be positive or negative depending on the matter configuration. I discuss the case in which the cosmological constant is allowed to vary and conclude that the Hawking/Coleman mechanisms for explaining the low value of the cosmological constant are not well formulated. In the third paper, co-authored by Jorma Louko, we analyze variational principles for non-smooth metrics. These principles give insight to the problem of constructing minisuperspace path integrals in horizon statistical mechanics and quantum cosmology. We demonstrate that smoothness conditions can be derived from the variational principle as equations of motion. We suggest a new prescription for minisuperspace path integrals on the manifold | D times S^2. In the fourth paper, I examine the contribution of the horizon energy density to black hole temperature. I show the existence of positive heat capacity solutions in the small mass regime. In the fifth paper, co-authored by Diego Pavon we investigate the role of primordial black holes in the very early universe under SU(3) times SU(2) times U (1), SU(5), and their supersymmetric

  8. 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.

  9. 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

  10. 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…

  11. Thermodynamic analysis of conductive filaments

    NASA Astrophysics Data System (ADS)

    Karpov, V.; Niraula, D.; Karpov, I.

    2016-08-01

    We present a thermodynamic theory of the conductive filament growth and dissolution in random access memory describing the observed features of their current-voltage (IV) characteristics. Our theory is based on the self-consisted Fokker-Planck approach reducing the filament kinetics to its thermodynamics. Expressing the observed IV features through material parameters, our results pave a way to device improvements.

  12. 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)

  13. 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.

  14. A batch fabricated biomimetic dry adhesive

    NASA Astrophysics Data System (ADS)

    Northen, Michael T.; Turner, Kimberly L.

    2005-08-01

    The fine hair adhesive system found in nature is capable of reversibly adhering to just about any surface. This dry adhesive, best demonstrated in the pad of the gecko, makes use of a multilevel conformal structure to greatly increase inelastic surface contact, enhancing short range interactions and producing significant amounts of attractive forces. Recent work has attempted to reproduce and test the terminal submicrometre 'hairs' of the system. Here we report the first batch fabricated multi-scale conformal system to mimic nature's dry adhesive. The approach makes use of massively parallel MEMS processing technology to produce 20-150 µm platforms, supported by single slender pillars, and coated with ~2 µm long, ~200 nm diameter, organic looking polymer nanorods, or 'organorods'. To characterize the structures a new mesoscale nanoindenter adhesion test technique has been developed. Experiments indicate significantly improved adhesion with the multiscale system. Additional processing caused a hydrophilic to hydrophobic transformation of the surface and testing indicated further improvement in adhesion.

  15. Materials selection for kraft batch digesters

    SciTech Connect

    Wensley, A.; Moskal, M.; Wilton, W.

    1997-08-01

    Several candidate materials were evaluated by corrosion testing in autoclaves containing white and black liquors for batch digesters. The relationship between corrosion rate and corrosion potential was determined for ASTM SA516-Grade 70 carbon steel, UNS S30403 (Type 304L) austenitic stainless steel, UNS S31803 (2205) and UNS S32550 (2605) duplex stainless steels, and two stainless steel weld overlays, applied by the GMAW (gas metal arc welding) and SAW (submerged arc welding) processes. The tests revealed that SA516-Grade 70 carbon steel and type 304L stainless steel can experience high rates of corrosion. For the duplex stainless steels and weld overlays, corrosion resistance improved with chromium content. A chromium content of at least 25% was found to be necessary for good corrosion resistance.

  16. Optimizing Resource Utilization in Grid Batch Systems

    NASA Astrophysics Data System (ADS)

    Gellrich, Andreas

    2012-12-01

    On Grid sites, the requirements of the computing tasks (jobs) to computing, storage, and network resources differ widely. For instance Monte Carlo production jobs are almost purely CPU-bound, whereas physics analysis jobs demand high data rates. In order to optimize the utilization of the compute node resources, jobs must be distributed intelligently over the nodes. Although the job resource requirements cannot be deduced directly, jobs are mapped to POSIX UID/GID according to the VO, VOMS group and role information contained in the VOMS proxy. The UID/GID then allows to distinguish jobs, if users are using VOMS proxies as planned by the VO management, e.g. ‘role=production’ for Monte Carlo jobs. It is possible to setup and configure batch systems (queuing system and scheduler) at Grid sites based on these considerations although scaling limits were observed with the scheduler MAUI. In tests these limitations could be overcome with a home-made scheduler.

  17. 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.

  18. 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.

  19. 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.

  20. The thermodynamic brain.

    PubMed

    Donnelly, Joseph; Czosnyka, Marek

    2014-01-01

    Apart from its complex functionality, the brain is a robust thermodynamic machine; the tissue metabolic rate is high and it is thermally shielded by a skull. Therefore, if there is no high-volume blood flow to cool and stabilize the brain temperature, the possibility of unstable behavior seems to be high. Inflowing arterial blood is normally cooler than the brain tissue temperature, and outflowing venous blood is normally warmer than arterial blood but cooler than the brain tissue. Brain blood flow can thus be understood as a cooler for the brain. Pros and cons of clinical measurement, with clear indication for a multimodal monitoring approach, are discussed along with a brief review of basic facts known about temperature, cerebral blood flow and volume, intracranial pressure, and compartmental compliances of the brain. PMID:25672816

  1. 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.

  2. 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.

  3. A Hamiltonian approach to Thermodynamics

    NASA Astrophysics Data System (ADS)

    Baldiotti, M. C.; Fresneda, R.; Molina, C.

    2016-10-01

    In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac's theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases.

  4. Thermodynamic aspects of vitrification.

    PubMed

    Wowk, Brian

    2010-02-01

    Vitrification is a process in which a liquid begins to behave as a solid during cooling without any substantial change in molecular arrangement or thermodynamic state variables. The physical phenomenon of vitrification is relevant to both cryopreservation by freezing, in which cells survive in glass between ice crystals, and cryopreservation by vitrification in which a whole sample is vitrified. The change from liquid to solid behavior is called the glass transition. It is coincident with liquid viscosity reaching 10(13) Poise during cooling, which corresponds to a shear stress relaxation time of several minutes. The glass transition can be understood on a molecular level as a loss of rotational and translational degrees of freedom over a particular measurement timescale, leaving only bond vibration within a fixed molecular structure. Reduced freedom of molecular movement results in decreased heat capacity and thermal expansivity in glass relative to the liquid state. In cryoprotectant solutions, the change from liquid to solid properties happens over a approximately 10 degrees C temperature interval centered on a glass transition temperature, typically near -120 degrees C (+/-10 degrees C) for solutions used for vitrification. Loss of freedom to quickly rearrange molecular position causes liquids to depart from thermodynamic equilibrium as they turn into a glass during vitrification. Residual molecular mobility below the glass transition temperature allows glass to very slowly contract, release heat, and decrease entropy during relaxation toward equilibrium. Although diffusion is practically non-existent below the glass transition temperature, small local movements of molecules related to relaxation have consequences for cryobiology. In particular, ice nucleation in supercooled vitrification solutions occurs at remarkable speed until at least 15 degrees C below the glass transition temperature. PMID:19538955

  5. 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

  6. 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

  7. 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.

  8. A unified mechanism to quantitatively understand silica particle formation from tetraethyl orthosilicate in batch and semi-batch processes.

    PubMed

    Nagao, Daisuke; Nakabayashi, Hiroyuki; Ishii, Haruyuki; Konno, Mikio

    2013-03-15

    Factors for controlling sizes of silica particles formed in the hydrolysis and condensation of silicon alkoxides were examined in batch and semi-batch processes with our model previously proposed. Particle sizes in the particle formation were simulated for buffer systems to reduce time-variation in pH. Effectiveness of the buffer system to suppress time-variation in ionic strength was experimentally verified in a silicon alkoxide concentration range of 0.01-0.1 M. Comparison of experimental particle sizes with calculated ones showed that the addition of electrolytes slightly decreased surface potential of silica particles in both batch and semi-batch processes, and the surface potential values estimated for the semi-batch process were lower than that for batch process. In simulation of the number of particles formed in the processes, the particle number had strong dependences on surface potential and Debye-Hückel parameter. The simulated number of particles formed in semi-batch process was smaller than that in batch process under the same surface potential and Debye-Hückel parameter. The combination of the low surface potential and the small number of particles revealed that the semi-batch process was suitable for producing a small number of particles, which provides enlargement of size range of silica particles formed in the method. PMID:23295029

  9. 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.

  10. 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 of Part 63 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS... Subpart H of Part 63—Batch Processes Monitoring Frequency for Equipment Other than Connectors...

  11. 27 CFR 19.598 - Dump/batch records.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2011-04-01 2011-04-01 false Dump/batch records. 19.598.../batch records. A proprietor who processes, mixes, or blends spirits in the processing account must maintain “dump/batch” records setting forth detailed information regarding the processing of the...

  12. 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 of Part 63 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS... Subpart H of Part 63—Batch Processes Monitoring Frequency for Equipment Other than Connectors...

  13. 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.../batch records. A proprietor who processes, mixes, or blends spirits in the processing account must maintain “dump/batch” records setting forth detailed information regarding the processing of the...

  14. 27 CFR 19.598 - Dump/batch records.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2014-04-01 2014-04-01 false Dump/batch records. 19.598.../batch records. A proprietor who processes, mixes, or blends spirits in the processing account must maintain “dump/batch” records setting forth detailed information regarding the processing of the...

  15. 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…

  16. 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 of Part 63 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS... Subpart H of Part 63—Batch Processes Monitoring Frequency for Equipment Other than Connectors...

  17. 27 CFR 19.598 - Dump/batch records.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2012-04-01 2012-04-01 false Dump/batch records. 19.598.../batch records. A proprietor who processes, mixes, or blends spirits in the processing account must maintain “dump/batch” records setting forth detailed information regarding the processing of the...

  18. 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 of Part 63 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS... Subpart H of Part 63—Batch Processes Monitoring Frequency for Equipment Other than Connectors...

  19. 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…

  20. 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

  1. Simultaneous uptake of lignocellulose-based monosaccharides by Escherichia coli.

    PubMed

    Jarmander, Johan; Hallström, Björn M; Larsson, Gen

    2014-06-01

    Lignocellulosic waste is a naturally abundant biomass and is therefore an attractive material to use in second generation biorefineries. Microbial growth on the monosaccharides present in hydrolyzed lignocellulose is however associated with several obstacles whereof one is the lack of simultaneous uptake of the sugars. We have studied the aerobic growth of Escherichia coli on D-glucose, D-xylose, and L-arabinose and for simultaneous uptake to occur, both the carbon catabolite repression mechanism (CCR) and the AraC repression of xylose uptake and metabolism had to be removed. The strain AF1000 is a MC4100 derivative that is only able to assimilate arabinose after a considerable lag phase, which is unsuitable for commercial production. This strain was successfully adapted to growth on L-arabinose and this led to simultaneous uptake of arabinose and xylose in a diauxic growth mode following glucose consumption. In this strain, a deletion in the phosphoenolpyruvate:phosphotransferase system (PTS) for glucose uptake, the ptsG mutation, was introduced. The resulting strain, PPA652ara simultaneously consumed all three monosaccharides at a maximum specific growth rate of 0.59 h(-1) , 55% higher than for the ptsG mutant alone. Also, no residual sugar was present in the cultivation medium. The potential of PPA652ara is further acknowledged by the performance of AF1000 during fed-batch processing on a mixture of D-glucose, D-xylose, and L-arabinose. The conclusion is that without the removal of both layers of carbon uptake control, this process results in accumulation of pentoses and leads to a reduction of the specific growth rate by 30%.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. Taming catalysts in quantum thermodynamics

    NASA Astrophysics Data System (ADS)

    Skrzypczyk, Paul

    2015-08-01

    Auxiliary quantum systems which can be borrowed to help facilitate thermodynamic processes but must be returned almost undisturbed—i.e. catalysts—are very powerful objects in quantum thermodynamics. In fact, they appear almost too powerful, since they allow for any state transformation to be carried out while being disturbed by an arbitrarily small amount. In their recent paper Ng et al (2015 New J. Phys. 17 085004) show how to tame catalysts in quantum thermodynamics by placing additional physical constraints on them, in terms of dimension and energy.

  7. CRC handbook of applied thermodynamics

    SciTech Connect

    Palmer, D.A. . Research and Development Dept.)

    1987-01-01

    This book feature an overview of the importance of physical properties and thermodynamics; and the use of thermodynamics to predict the extent of reaction in proposed new chemical combinations. The use of special types of data and prediction methods to develop flowsheets for probing projects; and sources of critically evaluated data, dividing the published works into three categories depending on quality are given. Methods of doing one's own critical evaluation of literature, a list of known North American contract experimentalist with the types of data measured by each, methods for measuring equilibrium data, and thermodynamic concepts to carry out process optimization are also featured.

  8. 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.

  9. 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.

  10. A canned food scheduling problem with batch due date

    NASA Astrophysics Data System (ADS)

    Chung, Tsui-Ping; Liao, Ching-Jong; Smith, Milton

    2014-09-01

    This article considers a canned food scheduling problem where jobs are grouped into several batches. Jobs can be sent to the next operation only when all the jobs in the same batch have finished their processing, i.e. jobs in a batch, have a common due date. This batch due date problem is quite common in canned food factories, but there is no efficient heuristic to solve the problem. The problem can be formulated as an identical parallel machine problem with batch due date to minimize the total tardiness. Since the problem is NP hard, two heuristics are proposed to find the near-optimal solution. Computational results comparing the effectiveness and efficiency of the two proposed heuristics with an existing heuristic are reported and discussed.

  11. Bridging the gap between batch and column experiments: A case study of Cs adsorption on granite.

    PubMed

    Wang, Tsing-Hai; Li, Ming-Hsu; Teng, Shi-Ping

    2009-01-15

    Both batch and column methods are conventionally utilized to determine some critical parameters for assessing the transport of contaminants of concern. The validity of using these parameters is somewhat confusing, however, since outputs such as distribution coefficient (Kd) from these two approaches are often discrepant. To bridge this gap, all possible factors that might contribute to this discrepancy were thoroughly investigated in this report by a case study of Cs sorption to crushed granite under various conditions. Our results confirm an important finding that solid/liquid (S/L) ratio is the dominant factor responsible for this discrepancy. As long as the S/L ratio exceeds 0.25, a consistent Kd value can be reached by the two methods. Under these conditions (S/L ratios>0.25), the sorption capacity of the solid is about an order of magnitude less than that in low S/L ratios (<0.25). Although low sorption capacity is observed in the cases of high S/L ratios, the sorption usually takes place preferentially on the most favorable (thermodynamically stable) sorption sites to form a stronger binding. This is verified by our desorption experiments in which a linear isotherm feature is shown either in deionized water or in 1M of ammonium acetate solutions. It may be concluded that batch experiment with an S/L ratio exceeding 0.25 is crucial to obtain convincing Kd values for safety assessment of radioactive waste repository.

  12. 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.

  13. [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

  14. 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.

  15. 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

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

    PubMed

    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

  17. Thermodynamic black di-rings

    SciTech Connect

    Iguchi, Hideo; Mishima, Takashi

    2010-10-15

    Previously the five dimensional S{sup 1}-rotating black rings have been superposed in a concentric way by some solitonic methods, and regular systems of two S{sup 1}-rotating black rings were constructed by the authors and then Evslin and Krishnan (we called these solutions 'black di-rings'). In this place we show some characteristics of the solutions of five dimensional black di-rings, especially in thermodynamic equilibrium. After the summary of the di-ring expressions and their physical quantities, first we comment on the equivalence of the two different solution sets of the black di-rings. Then the existence of thermodynamic black di-rings is shown, in which both isothermality and isorotation between the inner black ring and the outer black ring are realized. We also give detailed analysis of peculiar properties of the thermodynamic black di-ring including discussion about a certain kind of thermodynamic stability (instability) of the system.

  18. 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

  19. 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

  20. 40 CFR 204.57-7 - Acceptance and rejection of batch sequence.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 25 2014-07-01 2014-07-01 false Acceptance and rejection of batch... § 204.57-7 Acceptance and rejection of batch sequence. (a) The manufacturer will continue to inspect consecutive batches until the batch sequence is accepted or rejected. The batch sequence will be accepted...

  1. 40 CFR 204.57-7 - Acceptance and rejection of batch sequence.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 26 2013-07-01 2013-07-01 false Acceptance and rejection of batch... § 204.57-7 Acceptance and rejection of batch sequence. (a) The manufacturer will continue to inspect consecutive batches until the batch sequence is accepted or rejected. The batch sequence will be accepted...

  2. 21 CFR 320.35 - Requirements for in vitro testing of each batch.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 5 2013-04-01 2013-04-01 false Requirements for in vitro testing of each batch... of each batch. If a bioequivalence requirement specifies a currently available in vitro test or an in... conduct the test on a sample of each batch of the drug product to assure batch-to-batch uniformity....

  3. 21 CFR 320.35 - Requirements for in vitro testing of each batch.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 5 2012-04-01 2012-04-01 false Requirements for in vitro testing of each batch... of each batch. If a bioequivalence requirement specifies a currently available in vitro test or an in... conduct the test on a sample of each batch of the drug product to assure batch-to-batch uniformity....

  4. 21 CFR 320.35 - Requirements for in vitro testing of each batch.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 5 2011-04-01 2011-04-01 false Requirements for in vitro testing of each batch... of each batch. If a bioequivalence requirement specifies a currently available in vitro test or an in... conduct the test on a sample of each batch of the drug product to assure batch-to-batch uniformity....

  5. 40 CFR 204.57-7 - Acceptance and rejection of batch sequence.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Acceptance and rejection of batch... § 204.57-7 Acceptance and rejection of batch sequence. (a) The manufacturer will continue to inspect consecutive batches until the batch sequence is accepted or rejected. The batch sequence will be accepted...

  6. 40 CFR 205.57-6 - Acceptance and rejection of batches.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 25 2014-07-01 2014-07-01 false Acceptance and rejection of batches... Acceptance and rejection of batches. (a) The batch from which a batch sample is selected will be accepted or rejected based upon the number of failing vehicles in the batch sample. A sufficient number of test...

  7. 40 CFR 205.57-6 - Acceptance and rejection of batches.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 26 2012-07-01 2011-07-01 true Acceptance and rejection of batches... Acceptance and rejection of batches. (a) The batch from which a batch sample is selected will be accepted or rejected based upon the number of failing vehicles in the batch sample. A sufficient number of test...

  8. 40 CFR 204.57-7 - Acceptance and rejection of batch sequence.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 25 2011-07-01 2011-07-01 false Acceptance and rejection of batch... § 204.57-7 Acceptance and rejection of batch sequence. (a) The manufacturer will continue to inspect consecutive batches until the batch sequence is accepted or rejected. The batch sequence will be accepted...

  9. 40 CFR 205.57-6 - Acceptance and rejection of batches.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 26 2013-07-01 2013-07-01 false Acceptance and rejection of batches... Acceptance and rejection of batches. (a) The batch from which a batch sample is selected will be accepted or rejected based upon the number of failing vehicles in the batch sample. A sufficient number of test...

  10. 21 CFR 320.35 - Requirements for in vitro testing of each batch.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 5 2014-04-01 2014-04-01 false Requirements for in vitro testing of each batch... of each batch. If a bioequivalence requirement specifies a currently available in vitro test or an in... conduct the test on a sample of each batch of the drug product to assure batch-to-batch uniformity....

  11. 40 CFR 204.57-7 - Acceptance and rejection of batch sequence.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 26 2012-07-01 2011-07-01 true Acceptance and rejection of batch... § 204.57-7 Acceptance and rejection of batch sequence. (a) The manufacturer will continue to inspect consecutive batches until the batch sequence is accepted or rejected. The batch sequence will be accepted...

  12. 40 CFR 205.57-6 - Acceptance and rejection of batches.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 25 2011-07-01 2011-07-01 false Acceptance and rejection of batches... Acceptance and rejection of batches. (a) The batch from which a batch sample is selected will be accepted or rejected based upon the number of failing vehicles in the batch sample. A sufficient number of test...

  13. 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.

  14. Thermodynamic Analysis of Biodegradation Pathways

    PubMed Central

    Finley, Stacey D.; Broadbelt, Linda J.

    2014-01-01

    Microorganisms provide a wealth of biodegradative potential in the reduction and elimination of xenobiotic compounds in the environment. One useful metric to evaluate potential biodegradation pathways is thermodynamic feasibility. However, experimental data for the thermodynamic properties of xenobiotics is scarce. The present work uses a group contribution method to study the thermodynamic properties of the University of Minnesota Biocatalysis/Biodegradation Database. The Gibbs free energies of formation and reaction are estimated for 914 compounds (81%) and 902 reactions (75%), respectively, in the database. The reactions are classified based on the minimum and maximum Gibbs free energy values, which accounts for uncertainty in the free energy estimates and a feasible concentration range relevant to biodegradation. Using the free energy estimates, the cumulative free energy change of 89 biodegradation pathways (51%) in the database could be estimated. A comparison of the likelihood of the biotransformation rules in the Pathway Prediction System and their thermodynamic feasibility was then carried out. This analysis revealed that when evaluating the feasibility of biodegradation pathways, it is important to consider the thermodynamic topology of the reactions in the context of the complete pathway. Group contribution is shown to be a viable tool for estimating, a priori, the thermodynamic feasibility and the relative likelihood of alternative biodegradation reactions. This work offers a useful tool to a broad range of researchers interested in estimating the feasibility of the reactions in existing or novel biodegradation pathways. PMID:19288443

  15. 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.

  16. Thermodynamics of firms' growth.

    PubMed

    Zambrano, Eduardo; Hernando, Alberto; Fernández Bariviera, Aurelio; Hernando, Ricardo; Plastino, Angelo

    2015-11-01

    The distribution of firms' growth and firms' sizes is a topic under intense scrutiny. In this paper, we show that a thermodynamic model based on the maximum entropy principle, with dynamical prior information, can be constructed that adequately describes the dynamics and distribution of firms' growth. Our theoretical framework is tested against a comprehensive database of Spanish firms, which covers, to a very large extent, Spain's economic activity, with a total of 1,155,142 firms evolving along a full decade. We show that the empirical exponent of Pareto's law, a rule often observed in the rank distribution of large-size firms, is explained by the capacity of economic system for creating/destroying firms, and that can be used to measure the health of a capitalist-based economy. Indeed, our model predicts that when the exponent is larger than 1, creation of firms is favoured; when it is smaller than 1, destruction of firms is favoured instead; and when it equals 1 (matching Zipf's law), the system is in a full macroeconomic equilibrium, entailing 'free' creation and/or destruction of firms. For medium and smaller firm sizes, the dynamical regime changes, the whole distribution can no longer be fitted to a single simple analytical form and numerical prediction is required. Our model constitutes the basis for a full predictive framework regarding the economic evolution of an ensemble of firms. Such a structure can be potentially used to develop simulations and test hypothetical scenarios, such as economic crisis or the response to specific policy measures.

  17. Thermodynamics of firms' growth

    PubMed Central

    Zambrano, Eduardo; Hernando, Alberto; Hernando, Ricardo; Plastino, Angelo

    2015-01-01

    The distribution of firms' growth and firms' sizes is a topic under intense scrutiny. In this paper, we show that a thermodynamic model based on the maximum entropy principle, with dynamical prior information, can be constructed that adequately describes the dynamics and distribution of firms' growth. Our theoretical framework is tested against a comprehensive database of Spanish firms, which covers, to a very large extent, Spain's economic activity, with a total of 1 155 142 firms evolving along a full decade. We show that the empirical exponent of Pareto's law, a rule often observed in the rank distribution of large-size firms, is explained by the capacity of economic system for creating/destroying firms, and that can be used to measure the health of a capitalist-based economy. Indeed, our model predicts that when the exponent is larger than 1, creation of firms is favoured; when it is smaller than 1, destruction of firms is favoured instead; and when it equals 1 (matching Zipf's law), the system is in a full macroeconomic equilibrium, entailing ‘free’ creation and/or destruction of firms. For medium and smaller firm sizes, the dynamical regime changes, the whole distribution can no longer be fitted to a single simple analytical form and numerical prediction is required. Our model constitutes the basis for a full predictive framework regarding the economic evolution of an ensemble of firms. Such a structure can be potentially used to develop simulations and test hypothetical scenarios, such as economic crisis or the response to specific policy measures. PMID:26510828

  18. Thermodynamics of firms' growth.

    PubMed

    Zambrano, Eduardo; Hernando, Alberto; Fernández Bariviera, Aurelio; Hernando, Ricardo; Plastino, Angelo

    2015-11-01

    The distribution of firms' growth and firms' sizes is a topic under intense scrutiny. In this paper, we show that a thermodynamic model based on the maximum entropy principle, with dynamical prior information, can be constructed that adequately describes the dynamics and distribution of firms' growth. Our theoretical framework is tested against a comprehensive database of Spanish firms, which covers, to a very large extent, Spain's economic activity, with a total of 1,155,142 firms evolving along a full decade. We show that the empirical exponent of Pareto's law, a rule often observed in the rank distribution of large-size firms, is explained by the capacity of economic system for creating/destroying firms, and that can be used to measure the health of a capitalist-based economy. Indeed, our model predicts that when the exponent is larger than 1, creation of firms is favoured; when it is smaller than 1, destruction of firms is favoured instead; and when it equals 1 (matching Zipf's law), the system is in a full macroeconomic equilibrium, entailing 'free' creation and/or destruction of firms. For medium and smaller firm sizes, the dynamical regime changes, the whole distribution can no longer be fitted to a single simple analytical form and numerical prediction is required. Our model constitutes the basis for a full predictive framework regarding the economic evolution of an ensemble of firms. Such a structure can be potentially used to develop simulations and test hypothetical scenarios, such as economic crisis or the response to specific policy measures. PMID:26510828

  19. A dynamic metabolic flux balance based model of fed-batch fermentation of Bordetella pertussis.

    PubMed

    Budman, Hector; Patel, Nilesh; Tamer, Melih; Al-Gherwi, Walid

    2013-01-01

    A mathematical model based on a dynamic metabolic flux balance (DMFB) is developed for a process of fed-batch fermentation of Bordetella pertussis. The model is based on the maximization of growth rate at each time interval subject to stoichiometric constraints. The model is calibrated and verified with experimental data obtained in two different bioreactor experimental systems. It was found that the model calibration was mostly sensitive to the consumption or production rates of tyrosine and, for high supplementation rates, to the consumption rate of glutamate. Following this calibration the model correctly predicts biomass and by-products concentrations for different supplementation rates. Comparisons of model predictions to oxygen uptake and carbon emission rates measurements indicate that the TCA cycle is fully functional.

  20. Active Batch Selection via Convex Relaxations with Guaranteed Solution Bounds.

    PubMed

    Chakraborty, Shayok; Balasubramanian, Vineeth; Sun, Qian; Panchanathan, Sethuraman; Ye, Jieping

    2015-10-01

    Active learning techniques have gained popularity to reduce human effort in labeling data instances for inducing a classifier. When faced with large amounts of unlabeled data, such algorithms automatically identify the exemplar instances for manual annotation. More recently, there have been attempts towards a batch mode form of active learning, where a batch of data points is simultaneously selected from an unlabeled set. In this paper, we propose two novel batch mode active learning (BMAL) algorithms: BatchRank and BatchRand. We first formulate the batch selection task as an NP-hard optimization problem; we then propose two convex relaxations, one based on linear programming and the other based on semi-definite programming to solve the batch selection problem. Finally, a deterministic bound is derived on the solution quality for the first relaxation and a probabilistic bound for the second. To the best of our knowledge, this is the first research effort to derive mathematical guarantees on the solution quality of the BMAL problem. Our extensive empirical studies on 15 binary, multi-class and multi-label challenging datasets corroborate that the proposed algorithms perform at par with the state-of-the-art techniques, deliver high quality solutions and are robust to real-world issues like label noise and class imbalance.

  1. 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

  2. Main Ring Cycle Time Limitations and Multi-Batch Operation

    SciTech Connect

    Dugan, G.; Martin, P.; Pruss, S.; /Fermilab

    1986-02-01

    This note is a compilation of comments on the limitations on the Main Ring cycle time, and multi-batch operation of the Main Ring. The first page is a summary of three talks given in january 1986 by the authors about limitations to Main Ring cycle rates and the possibilities for multi-batch targeting schemes. Following this is a writeup by Stan pruss on the Main Ring cycle time limitations. This is followed in turn by some comments by G. Dugan on the general topic, from the pbar Source perspective. The basic conclusions of the talks are: (1) The main ring should be able to ramp to 120 GeV with a cycle time of less than 2.15 sec, with existing hardware. The principal limits are due to voltage limitations on the MR power supplies, both on the upgramp and on invert, and RF bucket area limitations. The magnet cooling is adequate to run at 120 GeV DC. (2) Bunch narrowing techniques for multiple batch operation, with up to 4 batches on flat top, is possible with the existing hardware and results in a very small ({approx} 3%) longitudinal emittance dilution per batch. This conclusion does not include the effects of instabilities, if any. Although the optimum bunch length with multiple batches will be wider than with one batch, this is not a large effect and probably is of no significance for the pbar yield (although this should be checked). (3) With a small modification to the existing hardware, the E17 kicker can be upgraded to allow operation with 3 batches on the flat top. Some additional effort (which is planned) will be required to allow four batches, beyond this point, major effort (not planned at present) will be required.

  3. Fed-Batch Production of Bacterial Ghosts Using Dielectric Spectroscopy for Dynamic Process Control

    PubMed Central

    Meitz, Andrea; Sagmeister, Patrick; Lubitz, Werner; Herwig, Christoph; Langemann, Timo

    2016-01-01

    The Bacterial Ghost (BG) platform technology evolved from a microbiological expression system incorporating the ϕX174 lysis gene E. E-lysis generates empty but structurally intact cell envelopes (BGs) from Gram-negative bacteria which have been suggested as candidate vaccines, immunotherapeutic agents or drug delivery vehicles. E-lysis is a highly dynamic and complex biological process that puts exceptional demands towards process understanding and control. The development of a both economic and robust fed-batch production process for BGs required a toolset capable of dealing with rapidly changing concentrations of viable biomass during the E-lysis phase. This challenge was addressed using a transfer function combining dielectric spectroscopy and soft-sensor based biomass estimation for monitoring the rapid decline of viable biomass during the E-lysis phase. The transfer function was implemented to a feed-controller, which followed the permittivity signal closely and was capable of maintaining a constant specific substrate uptake rate during lysis phase. With the described toolset, we were able to increase the yield of BG production processes by a factor of 8–10 when compared to currently used batch procedures reaching lysis efficiencies >98%. This provides elevated potentials for commercial application of the Bacterial Ghost platform technology. PMID:27681912

  4. Fed-Batch Production of Bacterial Ghosts Using Dielectric Spectroscopy for Dynamic Process Control.

    PubMed

    Meitz, Andrea; Sagmeister, Patrick; Lubitz, Werner; Herwig, Christoph; Langemann, Timo

    2016-03-24

    The Bacterial Ghost (BG) platform technology evolved from a microbiological expression system incorporating the ϕX174 lysis gene E. E-lysis generates empty but structurally intact cell envelopes (BGs) from Gram-negative bacteria which have been suggested as candidate vaccines, immunotherapeutic agents or drug delivery vehicles. E-lysis is a highly dynamic and complex biological process that puts exceptional demands towards process understanding and control. The development of a both economic and robust fed-batch production process for BGs required a toolset capable of dealing with rapidly changing concentrations of viable biomass during the E-lysis phase. This challenge was addressed using a transfer function combining dielectric spectroscopy and soft-sensor based biomass estimation for monitoring the rapid decline of viable biomass during the E-lysis phase. The transfer function was implemented to a feed-controller, which followed the permittivity signal closely and was capable of maintaining a constant specific substrate uptake rate during lysis phase. With the described toolset, we were able to increase the yield of BG production processes by a factor of 8-10 when compared to currently used batch procedures reaching lysis efficiencies >98%. This provides elevated potentials for commercial application of the Bacterial Ghost platform technology.

  5. Fed-Batch Production of Bacterial Ghosts Using Dielectric Spectroscopy for Dynamic Process Control.

    PubMed

    Meitz, Andrea; Sagmeister, Patrick; Lubitz, Werner; Herwig, Christoph; Langemann, Timo

    2016-01-01

    The Bacterial Ghost (BG) platform technology evolved from a microbiological expression system incorporating the ϕX174 lysis gene E. E-lysis generates empty but structurally intact cell envelopes (BGs) from Gram-negative bacteria which have been suggested as candidate vaccines, immunotherapeutic agents or drug delivery vehicles. E-lysis is a highly dynamic and complex biological process that puts exceptional demands towards process understanding and control. The development of a both economic and robust fed-batch production process for BGs required a toolset capable of dealing with rapidly changing concentrations of viable biomass during the E-lysis phase. This challenge was addressed using a transfer function combining dielectric spectroscopy and soft-sensor based biomass estimation for monitoring the rapid decline of viable biomass during the E-lysis phase. The transfer function was implemented to a feed-controller, which followed the permittivity signal closely and was capable of maintaining a constant specific substrate uptake rate during lysis phase. With the described toolset, we were able to increase the yield of BG production processes by a factor of 8-10 when compared to currently used batch procedures reaching lysis efficiencies >98%. This provides elevated potentials for commercial application of the Bacterial Ghost platform technology. PMID:27681912

  6. Fed-Batch Production of Bacterial Ghosts Using Dielectric Spectroscopy for Dynamic Process Control

    PubMed Central

    Meitz, Andrea; Sagmeister, Patrick; Lubitz, Werner; Herwig, Christoph; Langemann, Timo

    2016-01-01

    The Bacterial Ghost (BG) platform technology evolved from a microbiological expression system incorporating the ϕX174 lysis gene E. E-lysis generates empty but structurally intact cell envelopes (BGs) from Gram-negative bacteria which have been suggested as candidate vaccines, immunotherapeutic agents or drug delivery vehicles. E-lysis is a highly dynamic and complex biological process that puts exceptional demands towards process understanding and control. The development of a both economic and robust fed-batch production process for BGs required a toolset capable of dealing with rapidly changing concentrations of viable biomass during the E-lysis phase. This challenge was addressed using a transfer function combining dielectric spectroscopy and soft-sensor based biomass estimation for monitoring the rapid decline of viable biomass during the E-lysis phase. The transfer function was implemented to a feed-controller, which followed the permittivity signal closely and was capable of maintaining a constant specific substrate uptake rate during lysis phase. With the described toolset, we were able to increase the yield of BG production processes by a factor of 8–10 when compared to currently used batch procedures reaching lysis efficiencies >98%. This provides elevated potentials for commercial application of the Bacterial Ghost platform technology.

  7. The Electrophysiological Biosensor for Batch-Measurement of Cell Signals

    NASA Astrophysics Data System (ADS)

    Suzuki, Kengo; Tanabe, Masato; Ezaki, Takahiro; Konishi, Satoshi; Oka, Hiroaki; Ozaki, Nobuhiko

    This paper presents the development of electrophysiological biosensor. The developed sensor allows a batch-measurement by detecting all signals from a large number of cells together. The developed sensor employs the same measurement principle as the patch-clamp technique. A single cell is sucked and clamped in a micro hole with detecting electrode. Detecting electrodes in arrayed micro holes are connected together for the batch-measurement of signals a large number of cell signals. Furthermore, an array of sensors for batch-measurement is designed to improve measurement-throughput to satisfy requirements for the drug screening application.

  8. 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.

  9. Thermodynamics of imidacloprid sorption in Croatian soils

    NASA Astrophysics Data System (ADS)

    Milin, Čedomila; Broznic, Dalibor

    2015-04-01

    Neonicotinoids are increasingly replacing the organophosphate and methylcarbamate acetylcholinesterase inhibitors which are losing their effectiveness because of selection for resistant pest populations. Imidacloprid is the most important neonicotinoid with low soil persistence, high insecticidal potency and relatively low mammalian toxicity. In Croatia, imidacloprid is most commonly used in olive growing areas, including Istria and Kvarner islands, as an effective means of olive fruit fly infestation control. Sorption-desorption behavior of imidacloprid in six soils collected from five coastal regions in Croatia at 20, 30 and 40°C was investigated using batch equilibrium technique. Isothermal data were applied to Freundlich, Langmuir and Temkin equation, and the thermodynamic parameters ΔH°, ΔG°, ΔS° were calculated. The sorption isotherm curves were of non-linear and may be classified as L-type suggesting a relatively high sorption capacity for imidacloprid. Our results showed that the KFsor values decreased for all the tested soils as the temperature increases, indicating that the temperature strongly influence the sorption. Values of ΔG° were negative (-4.65 to -2.00 kJ/mol) indicating that at all experimental temperatures the interactions of imidacloprid with soils were spontaneous process. The negative and small ΔH° values (-19.79 to -8.89 kJ/mol) were in the range of weak forces, such as H-bonds, consistent with interactions and par¬titioning of the imidacloprid molecules into soil organic matter. The ΔS° values followed the range of -57.12 to -14.51 J/molK, suggesting that imidacloprid molecules lose entropy during transition from the solution phase to soil surface. It was found that imidacloprid desorption from soil was concentration and temperature dependent, i.e. at lower imidacloprid concentrations and temperature, lower desorption percentage occurred. Desorption studies revealed that hysteretic behavior under different temperature

  10. Targeting early apoptotic genes in batch and fed-batch CHO cell cultures.

    PubMed

    Wong, Danny Chee Furng; Wong, Kathy Tin Kam; Nissom, Peter Morin; Heng, Chew Kiat; Yap, Miranda Gek Sim

    2006-10-20

    Based on the transcriptional profiling of CHO cell culture using microarray, four key early apoptosis signaling genes, Fadd, Faim, Alg-2, and Requiem, were identified and CHO GT (Gene Targeted) cell lines were developed by targeting these four genes. Two were CHO GT(O) cell lines overexpressing anti-apoptotic genes, Faim and Fadd DN and two were CHO GT(KD) cell lines involving knockdown of Alg-2 and Requiem which are pro-apoptotic genes using small interfering RNA (siRNA) technology. Comparisons of these CHO GT cell lines with the parental cell line in batch culture (BC) and fed-batch culture (FBC) were performed. Compared to parental cells, the CHO GT cell lines showed apoptosis resistance as they significantly delayed and/or suppressed initiator caspase-8 and -9 and executioner caspase-3 activities during culture. FBC of CHO GT cell lines reached significantly higher maximum viable cell densities (up to 9 x 10(6) cells/mL) compared with the parental cell line (5 x 10(6) cells/mL). The recombinant interferon gamma (IFN-gamma) yields were increased by up to 2.5-fold. Furthermore, it was observed that the IFN-gamma was more highly sialylated.

  11. Thermodynamic prediction of hydrogen production from mixed-acid fermentations.

    PubMed

    Forrest, Andrea K; Wales, Melinda E; Holtzapple, Mark T

    2011-10-01

    The MixAlco™ process biologically converts biomass to carboxylate salts that may be chemically converted to a wide variety of chemicals and fuels. The process utilizes lignocellulosic biomass as feedstock (e.g., municipal solid waste, sewage sludge, and agricultural residues), creating an economic basis for sustainable biofuels. This study provides a thermodynamic analysis of hydrogen yield from mixed-acid fermentations from two feedstocks: paper and bagasse. During batch fermentations, hydrogen production, acid production, and sugar digestion were analyzed to determine the energy selectivity of each system. To predict hydrogen production during continuous operation, this energy selectivity was then applied to countercurrent fermentations of the same systems. The analysis successfully predicted hydrogen production from the paper fermentation to within 11% and the bagasse fermentation to within 21% of the actual production. The analysis was able to faithfully represent hydrogen production and represents a step forward in understanding and predicting hydrogen production from mixed-acid fermentations. PMID:21875794

  12. 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.

  13. Kinetics of cadmium uptake by chitosan-based crab shells.

    PubMed

    Evans, Johanna R; Davids, William G; MacRae, Jean D; Amirbahman, Aria

    2002-07-01

    Crushed crab shells were chemically treated to transform the chitin present into chitosan. Three particle sizes with average diameters of 0.65, 1.43 and 3.38 mm, average pore diameters ranging from approximately 300 to 540 A, and a specific surface area of approximately 30 m2/g were obtained. Batch experiments were performed to study the uptake equilibrium and kinetics of cadmium by chitosan. Adsorption equilibrium followed a Freundlich relationship and was found to be independent of particle size indicating that adsorption takes place largely in the pore space. A high initial rate of cadmium uptake was followed by a slower uptake rate suggesting intraparticle diffusion as the rate-limiting step. The kinetic uptake data were successfully modeled using a pore diffusion model incorporating nonlinear adsorption. The effect of boundary layer resistance was modeled through inclusion of a mass transfer expression at the outside boundary. Two fitting parameters, the tortuosity factor (tau) and the mass transfer coefficient at the outside boundary (k(c)) were used. These parameters were unique for all solute and sorbent concentrations. The tortuosity factors varied from 1.5 for large particles to 5.1 for small particles. The mass transfer coefficient varied from 2 x 10(-7) m/s at 50 rpm to 2 x 10(-3) m/s at 200 rpm. At agitation rates below 100 rpm, boundary layer resistance reduced the uptake rate significantly. Its very high sorption capacity and relatively low production cost make chitosan an attractive sorbent for the removal of heavy metals from waste streams.

  14. 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.

  15. 21. photographer unknown undated RECORDING CONTROL BOARD AND BATCHING TUBES ...

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

    21. photographer unknown undated RECORDING CONTROL BOARD AND BATCHING TUBES OF CONCRETE PLANT. - Bonneville Project, Columbia River, 1 mile Northeast of Exit 40, off Interstate 84, Bonneville, Multnomah County, OR

  16. 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

  17. 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

  18. 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

  19. 8. VIEW OF BATCHING HOPPER ON SERVICE FLOOR OF FURNACE ...

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

    8. VIEW OF BATCHING HOPPER ON SERVICE FLOOR OF FURNACE AISLE IN BOP SHOP LOOKING SOUTH. - U.S. Steel Duquesne Works, Basic Oxygen Steelmaking Plant, Along Monongahela River, Duquesne, Allegheny County, PA

  20. 6. FLUX WEIGH HOPPERS AND SCALES ON THE BATCHING FLOOR ...

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

    6. FLUX WEIGH HOPPERS AND SCALES ON THE BATCHING FLOOR OF THE FURNACE AISLE IN THE BOP SHOP LOOKING SOUTHWEST. - U.S. Steel Duquesne Works, Basic Oxygen Steelmaking Plant, Along Monongahela River, Duquesne, Allegheny County, PA

  1. 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

  2. GENERAL VIEW OF WAREHOUSE ADJACENT TO BATCH PLANT, LOOKING NORTHWEST ...

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

    GENERAL VIEW OF WAREHOUSE ADJACENT TO BATCH PLANT, LOOKING NORTHWEST FROM DREY STREET PLANT, INSIDE WELCOME WALL - Chambers Window Glass Company, Warehouse & Shipping, North of Drey (Nineteenth) Street, West of Constitution Boulevard, Arnold, Westmoreland County, PA

  3. 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...

  4. Characterization of Russian ballistic furnace shells, February, 1999, batch

    SciTech Connect

    Fearon, E

    1999-04-02

    This report documents the characterization of the latest batch of shells produced in the Ballistic Furnace System at the Lebedev Physical Institute, Moscow, Russia, that we received in mid-February, 1999. The batch consisted of three cassettes containing 36 shells in each cassette. An initial sphericity measurement was done, each shell was weighed, and shells were selected that were spherical enough to run on the Sphere Mapper AFM.

  5. Vertical profiles of cloud condensation nuclei, aerosol hygroscopicity, water uptake, and scattering across the United States

    NASA Astrophysics Data System (ADS)

    Lin, J. J.; Bougiatioti, A.; Nenes, A.; Anderson, B. E.; Beyersdorf, A. J.; Brock, C. A.; Gordon, T. D.; Lack, D.; Law, D. C.; Liao, J.; Middlebrook, A. M.; Richardson, M.; Thornhill, K. L., II; Winstead, E.; Wagner, N. L.; Welti, A.; Ziemba, L. D.

    2014-12-01

    The evolutions of vertical distributions of aerosol chemical, microphysical, hygroscopic, and optical properties present fundamental challenges to the understanding of ground-level air quality and radiative transfer, and few datasets exist to date for evaluation of atmospheric models. Data collected from recent NASA and NOAA field campaigns in the California Central Valley (DISCOVER-AQ), southeast United States (SENEX, SEAC4RS) and Texas (DISCOVER-AQ) allow for a unique opportunity to constrain vertical profiles of climate-relevant aerosol properties. This work presents in-situ aircraft measurements of cloud condensation nuclei (CCN) concentration and derivations of aerosol hygroscopicity, water uptake, and light scattering. Aerosol hygroscopicity is derived from CCN and aerosol measurements. Inorganic water uptake is calculated from aerosol composition using ISORROPIA, a chemical thermodynamic model, while organic water uptake is calculated from organic hygroscopicity. Aerosol scattering closure is performed between scattering from water uptake calculations and in-situ scattering measurements.

  6. 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

  7. [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.

  8. Nonequilibrium thermodynamics of an interface

    NASA Astrophysics Data System (ADS)

    Schweizer, Marco; Öttinger, Hans Christian; Savin, Thierry

    2016-05-01

    Interfacial thermodynamics has deep ramifications in understanding the boundary conditions of transport theories. We present a formulation of local equilibrium for interfaces that extends the thermodynamics of the "dividing surface," as introduced by Gibbs, to nonequilibrium settings such as evaporation or condensation. By identifying the precise position of the dividing surface in the interfacial region with a gauge degree of freedom, we exploit gauge-invariance requirements to consistently define the intensive variables for the interface. The model is verified under stringent conditions by employing high-precision nonequilibrium molecular-dynamics simulations of a coexisting vapor-liquid Lennard-Jones fluid. We conclude that the interfacial temperature is determined using the surface tension as a "thermometer," and it can be significantly different from the temperatures of the adjacent phases. Our findings lay foundations for nonequilibrium interfacial thermodynamics.

  9. Non-hermitian quantum thermodynamics

    NASA Astrophysics Data System (ADS)

    Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

    2016-03-01

    Thermodynamics is the phenomenological theory of heat and work. Here we analyze to what extent quantum thermodynamic relations are immune to the underlying mathematical formulation of quantum mechanics. As a main result, we show that the Jarzynski equality holds true for all non-hermitian quantum systems with real spectrum. This equality expresses the second law of thermodynamics for isothermal processes arbitrarily far from equilibrium. In the quasistatic limit however, the second law leads to the Carnot bound which is fulfilled even if some eigenenergies are complex provided they appear in conjugate pairs. Furthermore, we propose two setups to test our predictions, namely with strongly interacting excitons and photons in a semiconductor microcavity and in the non-hermitian tight-binding model.

  10. Analyze distillation columns with thermodynamics

    SciTech Connect

    Ognisty, T.P. )

    1995-02-01

    In a distillation column, heat supplies the work for separating the components of a feed stream into products. Distillation columns consume some 95% of the total energy used in separations. This amounts to roughly 3% of the energy consumed in the US. Since distillation is so energy intensive and requires significant capital outlays, an endless quest to improve the economics has continued since the beginning of the industry. By analyzing the thermodynamics of a distillation column, an engineer can quantify the thermodynamic efficiency of the process, identify the regions where energy can be better utilized, and define the minimum targets for energy consumption. This article reviews the principles of distillation column thermodynamics and outlines the analysis of lost work profiles and column heat profiles. It then illustrates these concepts through three examples.

  11. Statistical thermodynamics of clustered populations.

    PubMed

    Matsoukas, Themis

    2014-08-01

    We present a thermodynamic theory for a generic population of M individuals distributed into N groups (clusters). We construct the ensemble of all distributions with fixed M and N, introduce a selection functional that embodies the physics that governs the population, and obtain the distribution that emerges in the scaling limit as the most probable among all distributions consistent with the given physics. We develop the thermodynamics of the ensemble and establish a rigorous mapping to regular thermodynamics. We treat the emergence of a so-called giant component as a formal phase transition and show that the criteria for its emergence are entirely analogous to the equilibrium conditions in molecular systems. We demonstrate the theory by an analytic model and confirm the predictions by Monte Carlo simulation.

  12. Non-hermitian quantum thermodynamics.

    PubMed

    Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

    2016-01-01

    Thermodynamics is the phenomenological theory of heat and work. Here we analyze to what extent quantum thermodynamic relations are immune to the underlying mathematical formulation of quantum mechanics. As a main result, we show that the Jarzynski equality holds true for all non-hermitian quantum systems with real spectrum. This equality expresses the second law of thermodynamics for isothermal processes arbitrarily far from equilibrium. In the quasistatic limit however, the second law leads to the Carnot bound which is fulfilled even if some eigenenergies are complex provided they appear in conjugate pairs. Furthermore, we propose two setups to test our predictions, namely with strongly interacting excitons and photons in a semiconductor microcavity and in the non-hermitian tight-binding model. PMID:27003686

  13. Non-hermitian quantum thermodynamics

    PubMed Central

    Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

    2016-01-01

    Thermodynamics is the phenomenological theory of heat and work. Here we analyze to what extent quantum thermodynamic relations are immune to the underlying mathematical formulation of quantum mechanics. As a main result, we show that the Jarzynski equality holds true for all non-hermitian quantum systems with real spectrum. This equality expresses the second law of thermodynamics for isothermal processes arbitrarily far from equilibrium. In the quasistatic limit however, the second law leads to the Carnot bound which is fulfilled even if some eigenenergies are complex provided they appear in conjugate pairs. Furthermore, we propose two setups to test our predictions, namely with strongly interacting excitons and photons in a semiconductor microcavity and in the non-hermitian tight-binding model. PMID:27003686

  14. Non-hermitian quantum thermodynamics

    DOE PAGES

    Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

    2016-03-22

    Thermodynamics is the phenomenological theory of heat and work. Here we analyze to what extent quantum thermodynamic relations are immune to the underlying mathematical formulation of quantum mechanics. As a main result, we show that the Jarzynski equality holds true for all non-hermitian quantum systems with real spectrum. This equality expresses the second law of thermodynamics for isothermal processes arbitrarily far from equilibrium. In the quasistatic limit however, the second law leads to the Carnot bound which is fulfilled even if some eigenenergies are complex provided they appear in conjugate pairs. Lastly, we propose two setups to test our predictions,more » namely with strongly interacting excitons and photons in a semiconductor microcavity and in the non-hermitian tight-binding model.« less

  15. Nonequilibrium thermodynamics of an interface.

    PubMed

    Schweizer, Marco; Öttinger, Hans Christian; Savin, Thierry

    2016-05-01

    Interfacial thermodynamics has deep ramifications in understanding the boundary conditions of transport theories. We present a formulation of local equilibrium for interfaces that extends the thermodynamics of the "dividing surface," as introduced by Gibbs, to nonequilibrium settings such as evaporation or condensation. By identifying the precise position of the dividing surface in the interfacial region with a gauge degree of freedom, we exploit gauge-invariance requirements to consistently define the intensive variables for the interface. The model is verified under stringent conditions by employing high-precision nonequilibrium molecular-dynamics simulations of a coexisting vapor-liquid Lennard-Jones fluid. We conclude that the interfacial temperature is determined using the surface tension as a "thermometer," and it can be significantly different from the temperatures of the adjacent phases. Our findings lay foundations for nonequilibrium interfacial thermodynamics.

  16. Nonequilibrium thermodynamics of an interface.

    PubMed

    Schweizer, Marco; Öttinger, Hans Christian; Savin, Thierry

    2016-05-01

    Interfacial thermodynamics has deep ramifications in understanding the boundary conditions of transport theories. We present a formulation of local equilibrium for interfaces that extends the thermodynamics of the "dividing surface," as introduced by Gibbs, to nonequilibrium settings such as evaporation or condensation. By identifying the precise position of the dividing surface in the interfacial region with a gauge degree of freedom, we exploit gauge-invariance requirements to consistently define the intensive variables for the interface. The model is verified under stringent conditions by employing high-precision nonequilibrium molecular-dynamics simulations of a coexisting vapor-liquid Lennard-Jones fluid. We conclude that the interfacial temperature is determined using the surface tension as a "thermometer," and it can be significantly different from the temperatures of the adjacent phases. Our findings lay foundations for nonequilibrium interfacial thermodynamics. PMID:27300960

  17. Thermodynamics from a scaling Hamiltonian

    NASA Astrophysics Data System (ADS)

    Del Pino, L. A.; Troncoso, P.; Curilef, S.

    2007-11-01

    There are problems with defining the thermodynamic limit of systems with long-range interactions; as a result, the thermodynamic behavior of these types of systems is anomalous. In the present work, we review some concepts from both extensive and nonextensive thermodynamic perspectives. We use a model, whose Hamiltonian takes into account spins ferromagnetically coupled in a chain via a power law that decays at large interparticle distance r as 1/rα for α⩾0 . Here, we review old nonextensive scaling. In addition, we propose a Hamiltonian scaled by 2((N/2)1-α-1)/(1-α) that explicitly includes symmetry of the lattice and dependence on the size N of the system. The approach enabled us to improve upon previous results. A numerical test is conducted through Monte Carlo simulations. In the model, periodic boundary conditions are adopted to eliminate surface effects.

  18. Effect of pH on biological phosphorus uptake.

    PubMed

    Serralta, J; Ferrer, J; Borrás, L; Seco, A

    2006-12-01

    An anaerobic aerobic laboratory scale sequencing batch reactor (SBR) was operated to study the effect of pH on enhanced biological phosphorus removal. Seven steady states were achieved under different operating conditions. In all of them, a slight variation in the pH value was observed during anaerobic phase. However, pH rose significantly during aerobic phase. The increase observed was due to phosphorus uptake and carbon dioxide stripping. When pH was higher than 8.2-8.25 the phosphorus uptake rate clearly decreased. The capability of Activated Sludge Model No. 2d (ASM2d) and Biological Nutrient Removal Model No. 1 (BNRM1) to simulate experimental results was evaluated. Both models successfully characterized the enhanced biological phosphorus removal performance of the SBR. Furthermore, BNRM1 also reproduced the pH variations observed and the decrease in the phosphorus uptake rate. This model includes a switch function in the kinetic expressions to represent the pH inhibition in biological processes. The pH inhibition constants related to polyphosphate storage process were obtained by adjusting model predictions to measured phosphorus concentrations. On the other hand, pH inhibition should be included in ASM2d to accurately simulate experimental phosphorus evolution observed in an A/O SBR.

  19. A Thermodynamically-consistent FBA-based Approach to Biogeochemical Reaction Modeling

    NASA Astrophysics Data System (ADS)

    Shapiro, B.; Jin, Q.

    2015-12-01

    Microbial rates are critical to understanding biogeochemical processes in natural environments. Recently, flux balance analysis (FBA) has been applied to predict microbial rates in aquifers and other settings. FBA is a genome-scale constraint-based modeling approach that computes metabolic rates and other phenotypes of microorganisms. This approach requires a prior knowledge of substrate uptake rates, which is not available for most natural microbes. Here we propose to constrain substrate uptake rates on the basis of microbial kinetics. Specifically, we calculate rates of respiration (and fermentation) using a revised Monod equation; this equation accounts for both the kinetics and thermodynamics of microbial catabolism. Substrate uptake rates are then computed from the rates of respiration, and applied to FBA to predict rates of microbial growth. We implemented this method by linking two software tools, PHREEQC and COBRA Toolbox. We applied this method to acetotrophic methanogenesis by Methanosarcina barkeri, and compared the simulation results to previous laboratory observations. The new method constrains acetate uptake by accounting for the kinetics and thermodynamics of methanogenesis, and predicted well the observations of previous experiments. In comparison, traditional methods of dynamic-FBA constrain acetate uptake on the basis of enzyme kinetics, and failed to reproduce the experimental results. These results show that microbial rate laws may provide a better constraint than enzyme kinetics for applying FBA to biogeochemical reaction modeling.

  20. Thermodynamic Characterization of Mexico City Aerosol during MILAGRO 2006

    SciTech Connect

    Fountoukis, C.; Nenes, A.; Sullivan, A.; Weber, R.; VanReken, T.; Fischer, M.; Matias, E.; Moya, M.; Farmer, D.; Cohen, R.C.

    2008-12-05

    Fast measurements of aerosol and gas-phase constituents coupled with the ISORROPIA-II thermodynamic equilibrium model are used to study the partitioning of semivolatile inorganic species and phase state of Mexico City aerosol sampled at the T1 site during the MILAGRO 2006 campaign. Overall, predicted semivolatile partitioning agrees well with measurements. PM{sub 2.5} is insensitive to changes in ammonia but is to acidic semivolatile species. For particle sizes up to 1 {micro}m diameter, semi-volatile partitioning requires 30-60 min to equilibrate; longer time is typically required during the night and early morning hours. When the aerosol sulfate-to-nitrate molar ratio is less than unity, predictions improve substantially if the aerosol is assumed to follow the deliquescent phase diagram. Treating crustal species as 'equivalent sodium' (rather than explicitly) in the thermodynamic equilibrium calculations introduces important biases in predicted aerosol water uptake, nitrate and ammonium; neglecting crustals further increases errors dramatically. This suggests that explicitly considering crustals in the thermodynamic calculations is required to accurately predict the partitioning and phase state of aerosols.

  1. 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 ?.

  2. CRC handbook of applied thermodynamics

    SciTech Connect

    Palmer, D.A. . Research and Development Dept.)

    1987-01-01

    The emphasis of this book is on applied thermodynamics, featuring the stage of development of a process rather than the logical development of thermodynamic principles. It is organized according to the types of problems encountered in industry, such as probing research, process assessment, and process development. The applied principles presented can be used in most areas of industry including oil and gas production and processing, chemical processing, power generation, polymer production, food processing, synthetic fuels production, specialty chemicals and pharmaceuticals production, bioengineered processes, etc.

  3. 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.

  4. SLUDGE BATCH VARIABILITY STUDY WITH FRIT 418

    SciTech Connect

    Johnson, F.; Edwards, T.

    2010-11-29

    The Defense Waste Processing Facility (DWPF) initiated processing Sludge Batch 6 (SB6) in the summer of 2010. In support of processing, the Savannah River National Laboratory (SRNL) provided a recommendation to utilize Frit 418 to process SB6. This recommendation was based on assessments of the compositional projections for SB6 available at the time from the Liquid Waste Organization (LWO) and SRNL (using a model-based approach). To support qualification of SB6, SRNL executed a variability study to assess the applicability of the current durability models for SB6. The durability models were assessed over the expected Frit 418-SB6 composition range. Seventeen glasses were selected for the variability study based on the sludge projections used in the frit recommendation. Five of the glasses are based on the centroid of the compositional region, spanning a waste loading (WL) range of 32 to 40%. The remaining twelve glasses are extreme vertices (EVs) of the sludge region of interest for SB6 combined with Frit 418 and are all at 36% WL. These glasses were fabricated and characterized using chemical composition analysis, X-ray diffraction (XRD) and the Product Consistency Test (PCT). After initiating the SB6 variability study, the measured composition of the SB6 Tank 51 qualification glass produced at the SRNL Shielded Cells Facility indicated that thorium was present in the glass at an appreciable concentration (1.03 wt%), which made it a reportable element for SB6. This concentration of ThO{sub 2} resulted in a second phase of experimental studies. Five glasses were formulated that were based on the centroid of the new sludge compositional region combined with Frit 418, spanning a WL range of 32 to 40%. These glasses were fabricated and characterized using chemical composition analysis and the PCT. Based on the measured PCT response, all of the glasses (with and without thorium) were acceptable with respect to the Environmental Assessment (EA) reference glass

  5. SLUDGE BATCH 7B GLASS VARIABILITY STUDY

    SciTech Connect

    Johnson, F.; Edwards, T.

    2011-10-25

    The Defense Waste Processing Facility (DWPF) is preparing to initiate processing Sludge Batch 7b (SB7b). In support of the upcoming processing, the Savannah River National Laboratory (SRNL) provided a recommendation to utilize Frits 418 with a 6% Na{sub 2}O addition (26 wt% Na{sub 2}O in sludge) and 702 with a 4% Na{sub 2}O addition (24 wt% Na{sub 2}O in sludge) to process SB7b. This recommendation was based on assessments of the compositional projections for SB7b available at the time from the Savannah River Remediation (SRR). To support qualification of SB7b, SRNL executed a variability study to assess the applicability of the current durability models for SB7b. The durability models were assessed over the expected composition range of SB7b, including potential caustic additions, combined with Frits 702 and 418 over a 32-40% waste loading (WL) range. Thirty four glasses were selected based on Frits 418 and 702 coupled with the sludge projections with an additional 4-6% Na{sub 2}O to reflect the potential caustic addition. Six of these glasses, based on average nominal sludge compositions including the appropriate caustic addition, were developed for both Frit 418 and Frit 702 at 32, 36 and 40% WL to provide coverage in the center of the anticipated SB7b glass region. All glasses were fabricated and characterized using chemical composition analysis, X-ray diffraction (XRD) and the Product Consistency Test (PCT). To comply with the DWPF Glass Product Control Program, a total of thirty four glasses were fabricated to assess the applicability of the current DWPF PCCS durability models. Based on the measured PCT response, all of the glasses were acceptable with respect to the Environmental Assessment (EA) benchmark glass regardless of thermal history. The NL[B] values of the SB7b variability study glasses were less than 1.99 g/L as compared to 16.695 g/L for EA. A small number of the D-optimally selected 'outer layer' extreme vertices (EV) glasses were not predictable

  6. Production of savinase and population viability of Bacillus clausii during high-cell-density fed-batch cultivations.

    PubMed

    Christiansen, Torben; Michaelsen, Søren; Wümpelmann, Mogens; Nielsen, Jens

    2003-08-01

    The growth and product formation of a Savinase-producing Bacillus clausii were investigated in high-cell-density fed-batch cultivations with both linear and exponential feed profiles. The highest specific productivity of Savinase was observed shortly after the end of the initial batch phase for all feed profiles applied and, in addition, there was a time-dependent decrease in specific productivity. The specific glucose uptake rate increased with time for constant specific growth rate indicating that the maintenance requirements increased with time, possibly due to a decreasing K(+) concentration. The physiological state of the cells was monitored during the cultivations using a flow cytometry assay based on the permeability of the cell membrane to propidium iodide. In the latter parts of the fed-batch cultures with a linear feed profile, a large portion of the cell population was found to have a permeable membrane, indicating a large percentage of dead cells. By assuming that only cells with a nonpermeable membrane contributed to growth and product formation, the physiological properties of this subpopulation were calculated. PMID:12783490

  7. Effects of plant biomass on nitrogen transformation in subsurface-batch constructed wetlands: a stable isotope and mass balance assessment.

    PubMed

    Chen, Yi; Wen, Yue; Zhou, Qi; Vymazal, Jan

    2014-10-15

    Nitrate is commonly found in the influent of subsurface-batch constructed wetlands (SSB CWs) used for tertiary wastewater treatments. To understand the effects of plants and the litter on nitrate removal, as well as on nitrogen transformation in SSB CWs, six laboratory-scale SSB CW microcosms were set up in duplicate and were operated as batch systems with hydraulic residence time (HRT) of 5d. The presence of Typha latifolia enhanced nitrate removal in SSB CWs, and the N removed by plant uptake was mainly stored in aboveground biomass. Typha litter addition greatly improved nitrate removal in SSB CWs through continuous input of labile organic carbon, and calculated enrichment factors (ε) were between -12.1‰--13.9‰ from the nitrogen stable isotope analysis, suggesting that denitrification plays a dominant role in the N removal. Most significantly, simultaneous sulfur-based autotrophic and heterotrophic denitrification was observed in CWs. Finally, mass balance showed that denitrification, sedimentation burial and plant uptake respectively contributed 54%-94%, 1%-46% and 7.5%-14.3% to the N removal in CWs.

  8. Butanol production by immobilised Clostridium acetobutylicum in repeated batch, fed-batch, and continuous modes of fermentation.

    PubMed

    Dolejš, Igor; Krasňan, Vladimír; Stloukal, Radek; Rosenberg, Michal; Rebroš, Martin

    2014-10-01

    Clostridium acetobutylicum immobilised in polyvinylalcohol, lens-shaped hydrogel capsules (LentiKats(®)) was studied for production of butanol and other products of acetone-butanol-ethanol fermentation. After optimising the immobilisation protocol for anaerobic bacteria, continuous, repeated batch, and fed-batch fermentations in repeated batch mode were performed. Using glucose as a substrate, butanol productivity of 0.41 g/L/h and solvent productivity of 0.63 g/L/h were observed at a dilution rate of 0.05 h(-1) during continuous fermentation with a concentrated substrate (60 g/L). Through the process of repeated batch fermentation, the duration of fermentation was reduced from 27.8h (free-cell fermentation) to 3.3h (immobilised cells) with a solvent productivity of 0.77 g/L/h (butanol 0.57 g/L/h). The highest butanol and solvent productivities of 1.21 and 1.91 g/L/h were observed during fed-batch fermentation operated in repeated batch mode with yields of butanol (0.15 g/g) and solvents (0.24 g/g), respectively, produced per gram of glucose.

  9. Batch and Pulsed Fed-Batch Cultures of Aspergillus flavipes FP-500 Growing on Lemon Peel at Stirred Tank Reactor.

    PubMed

    Wolf-Márquez, V E; García-García, E; García-Rivero, M; Aguilar-Osorio, G; Martínez Trujillo, M A

    2015-11-01

    Aspergillus flavipes FP-500 grew up on submerged cultures using lemon peel as the only carbon source, developing several batch and pulsed fed-batch trials on a stirred tank reactor. The effect of carbon source concentration, reducing sugar presence and initial pH on exopectinase and endopectinase production, was analyzed on batch cultures. From this, we observed that the highest substrate concentration favored biomass (X max) but had not influence on the corresponding specific production (q p) of both pectinases; the most acid condition provoked higher endopectinase-specific productions but had not a significant effect on those corresponding to exopectinases; and reducing sugar concentrations higher than 1.5 g/L retarded pectinase production. On the other hand, by employing the pulsed fed-batch operation mode, we observed a prolonged growth phase, and an increase of about twofold on endopectinase production without a significant raise on biomass concentration. So, pulsed fed-batch seems to be a good alternative for obtaining higher endopectinase titers by using high lemon peel quantities without having mixing and repression problems to the system. The usefulness of unstructured kinetic models for explaining, under a theoretic level, the behavior of the fungus along the batch culture with regard to pectinase production was evident.

  10. Batch and Pulsed Fed-Batch Cultures of Aspergillus flavipes FP-500 Growing on Lemon Peel at Stirred Tank Reactor.

    PubMed

    Wolf-Márquez, V E; García-García, E; García-Rivero, M; Aguilar-Osorio, G; Martínez Trujillo, M A

    2015-11-01

    Aspergillus flavipes FP-500 grew up on submerged cultures using lemon peel as the only carbon source, developing several batch and pulsed fed-batch trials on a stirred tank reactor. The effect of carbon source concentration, reducing sugar presence and initial pH on exopectinase and endopectinase production, was analyzed on batch cultures. From this, we observed that the highest substrate concentration favored biomass (X max) but had not influence on the corresponding specific production (q p) of both pectinases; the most acid condition provoked higher endopectinase-specific productions but had not a significant effect on those corresponding to exopectinases; and reducing sugar concentrations higher than 1.5 g/L retarded pectinase production. On the other hand, by employing the pulsed fed-batch operation mode, we observed a prolonged growth phase, and an increase of about twofold on endopectinase production without a significant raise on biomass concentration. So, pulsed fed-batch seems to be a good alternative for obtaining higher endopectinase titers by using high lemon peel quantities without having mixing and repression problems to the system. The usefulness of unstructured kinetic models for explaining, under a theoretic level, the behavior of the fungus along the batch culture with regard to pectinase production was evident. PMID:26304128

  11. Selenium uptake by sulfur-accumulating bacteria

    NASA Astrophysics Data System (ADS)

    Nelson, Douglas C.; Casey, William H.; Sison, Jennette D.; Mack, E. Erin; Ahmad, Azeem; Pollack, Jeffrey S.

    1996-09-01

    Selenium is a trace metal in many rock-forming minerals but is a major environmental contaminant worldwide. Uptake of selenium by S-accumulating bacteria was examined in both pure cultures of Chromatium vinosum and in co-culture with Desulfovibrio desulfuricans. We used dual cultures including these bacteria to concentrate selenium into intracellular globules. The bacterium D. desulfuricans reduces sulfate [SO 42- (aq)] to sulfide [H 2S(aq)] and also reduces selenate [SeO 42- (aq)] to selenide [H 2Se (aq)]. Once reduced, sulfide is enzymatically oxidized and formed into intracellular globules by C. vinosum. We found that the selenium also forms an intercellular solid but the reaction is thermodynamically driven and proceeds by reducing S° (s) with H 2Se(aq). Relative to the initial molar ratio of selenate and sulfate in the medium, selenium is concentrated 4.5 to 32-fold in the globules. Because solid selenium is so much more stable than sulfur at growth conditions, other S-depositing bacteria, such as Beggiatoa and Chlorobium, should also concentrate selenium via this reaction, providing a strategy for eliminating contamination or for concentrating low natural levels into a usable form.

  12. Repeated-batch fermentative for bio-hydrogen production from.

    PubMed

    Sangyoka, Suksaman; Reungsang, Alissara; Moonamart, Samart

    2007-06-01

    Anaerobic hydrogen production from cassava wastewater by heat-treated UASB granules was conducted in a 10 L bioreactor with a working volume of 8 L at room temperature and pH 6.0 by batch and repeated-batch fermentations. Specific hydrogen production potential, hydrogen yield and the maximum hydrogen production rate of 39, 304.81 mL, 0.22 mL mg-COID(-1) and 851.84 mL h(-1), respectively, were obtained in a batch reactor. A repeated-batch was conducted when the glucose concentration in fermentative broth was depleted to 150-250 mg L(-1) which equivalent to 10-15% of initial glucose concentration. Repeated-batch reactor was operated at 3 different feed-in/feed-out rates i.e., 25, 50 and 75%. Results revealed that a suitable feed-in/feed out rate for production of hydrogen from cassava wastewater was at 75%. This was indicated by the highest hydrogen yield, the highest potential maximal amount of hydrogen produced, a relatively high maximum hydrogen production rate, a relatively high maximum specific hydrogen production rate and a relatively short lag time of 0.0094 mL mg-COD(-1), 12,532.80 mL, 540.46 mL h(-1), 3.5 mL g-VSS(-1) h and 5.31 h, respectively. Major soluble metabolites were acetic and butyric acids. Our results indicated that repeated batch fermentation was more effective in producing hydrogen from cassava wastewater than batch fermentation.

  13. Thermodynamics of electrochemical lithium storage.

    PubMed

    Maier, Joachim

    2013-05-01

    The thermodynamics of electrochemical lithium storage are examined by taking into account that it is the point defects that enable storage. While the Li defects are mobile, most of the other point defects have to be considered as frozen owing to the performance temperature being low compared to the melting point of the electrode materials. The defect chemistry needs to be considered to fully understand equilibrium charge/discharge curves. On this basis, single phase and multiphase storage mechanisms can be discussed in terms of theoretical storage capacity and theoretical voltage. Of paramount interest in the field of Li batteries are metastable materials, in particular nanocrystalline and amorphous materials. The thermodynamics of storage and voltage, also at interfaces, thus deserve a special treatment. The relationship between reversible cell voltage and lithium content is derived for the novel job-sharing mechanism. With respect to the classic storage modes, thermodynamic differences for cathodes and anodes are elaborated with a special attention being paid to the search for new materials. As this contribution concentrates on the equilibrium state, current-related phenomena (irreversible thermodynamics) are only briefly touched upon. PMID:23630067

  14. Simulating Metabolism with Statistical Thermodynamics

    PubMed Central

    Cannon, William R.

    2014-01-01

    New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed. PMID:25089525

  15. A Simple Statistical Thermodynamics Experiment

    ERIC Educational Resources Information Center

    LoPresto, Michael C.

    2010-01-01

    Comparing the predicted and actual rolls of combinations of both two and three dice can help to introduce many of the basic concepts of statistical thermodynamics, including multiplicity, probability, microstates, and macrostates, and demonstrate that entropy is indeed a measure of randomness, that disordered states (those of higher entropy) are…

  16. THERMODYNAMICS USED IN ENVIRONMENTAL ENGINEERING

    EPA Science Inventory

    Thermodynamics is a science in which energy transformations are studied as well as their relationships to the changes in the chemical properties of a system. It is the fundamental basis of many engineering fields. The profession of environmental engineering is no exception. In pa...

  17. Thermodynamics on the Molality Scale

    ERIC Educational Resources Information Center

    Canagaratna, Sebastian G.; Maheswaran, M.

    2013-01-01

    For physical measurements, the compositions of solutions, especially electrolyte solutions, are expressed in terms of molality rather than mole fractions. The development of the necessary thermodynamic equations directly in terms of molality is not common in textbooks, and the treatment in the literature is not very systematic. We develop a…

  18. Some Considerations about Thermodynamic Cycles

    ERIC Educational Resources Information Center

    da Silva, M. F. Ferreira

    2012-01-01

    After completing their introductory studies on thermodynamics at the university level, typically in a second-year university course, most students show a number of misconceptions. In this work, we identify some of those erroneous ideas and try to explain their origins. We also give a suggestion to attack the problem through a systematic and…

  19. Thermodynamics of electrochemical lithium storage.

    PubMed

    Maier, Joachim

    2013-05-01

    The thermodynamics of electrochemical lithium storage are examined by taking into account that it is the point defects that enable storage. While the Li defects are mobile, most of the other point defects have to be considered as frozen owing to the performance temperature being low compared to the melting point of the electrode materials. The defect chemistry needs to be considered to fully understand equilibrium charge/discharge curves. On this basis, single phase and multiphase storage mechanisms can be discussed in terms of theoretical storage capacity and theoretical voltage. Of paramount interest in the field of Li batteries are metastable materials, in particular nanocrystalline and amorphous materials. The thermodynamics of storage and voltage, also at interfaces, thus deserve a special treatment. The relationship between reversible cell voltage and lithium content is derived for the novel job-sharing mechanism. With respect to the classic storage modes, thermodynamic differences for cathodes and anodes are elaborated with a special attention being paid to the search for new materials. As this contribution concentrates on the equilibrium state, current-related phenomena (irreversible thermodynamics) are only briefly touched upon.

  20. Conservation laws and thermodynamic efficiencies.

    PubMed

    Benenti, Giuliano; Casati, Giulio; Wang, Jiao

    2013-02-15

    We show that generic systems with a single relevant conserved quantity reach the Carnot efficiency in the thermodynamic limit. Such a general result is illustrated by means of a diatomic chain of hard-point elastically colliding particles where the total momentum is the only relevant conserved quantity.

  1. Analogy between Thermodynamics and Mechanics.

    ERIC Educational Resources Information Center

    Peterson, Mark A.

    1979-01-01

    Establishes and illustrates a formal analogy between the motion of a particle and the "motion" of the equilibrium state of a homogeneous system in a quasistatic process. The purpose is to show that there is a much larger set of natural coordinate transformations in thermodynamics. (GA)

  2. Thermodynamics of Oligonucleotide Duplex Melting

    ERIC Educational Resources Information Center

    Schreiber-Gosche, Sherrie; Edwards, Robert A.

    2009-01-01

    Melting temperatures of oligonucleotides are useful for a number of molecular biology applications, such as the polymerase chain reaction (PCR). Although melting temperatures are often calculated with simplistic empirical equations, application of thermodynamics provides more accurate melting temperatures and an opportunity for students to apply…

  3. Modeling Transient Storage and Nitrate Uptake Kinetics in a Flume Containing a Natural Periphyton Community

    NASA Astrophysics Data System (ADS)

    Kim, B. K.; Jackman, A. P.; Triska, F. J.

    1990-03-01

    An existing transport model including storage zones was combined with a submodel describing biotic retention of nutrient based on Michaelis-Menten kinetics. This transport/retention model was used to simulate the results of an experiment in which the inflows to flumes containing nitrate-limited natural stream periphyton on artificial substrates were amended with chloride and nitrate. Hydrodynamic parameters were determined by fitting the model to the chloride data. The Michaelis-Menten maximum uptake rate parameter was determined by fitting the model to the nitrate data. The transport/retention model accurately simulated the responses of the flumes to the amendments. Independent batch experiments to determine Michaelis-Menten parameters were performed on periphyton from a control flume. The maximum uptake rate parameters from the two experiments are in good agreement. Both experiments indicate possible inadequacies of the Michaelis-Menten kinetic model for describing nutrient uptake in a complex field community.

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

    SciTech Connect

    Minelli, Matteo; Doghieri, Ferruccio

    2014-05-15

    Data for kinetics of mass uptake from vapor sorption experiments in thin glassy polymer samples are here interpreted in terms of relaxation times for volume dilation. To this result, both models from non-equilibrium thermodynamics and from mechanics of volume relaxation contribute. Different kind of sorption experiments have been considered in order to facilitate the direct comparison between kinetics of solute induced volume dilation and corresponding data from process driven by pressure or temperature jumps.

  5. Thermodynamics of statistical inference by cells.

    PubMed

    Lang, Alex H; Fisher, Charles K; Mora, Thierry; Mehta, Pankaj

    2014-10-01

    The deep connection between thermodynamics, computation, and information is now well established both theoretically and experimentally. Here, we extend these ideas to show that thermodynamics also places fundamental constraints on statistical estimation and learning. To do so, we investigate the constraints placed by (nonequilibrium) thermodynamics on the ability of biochemical signaling networks to estimate the concentration of an external signal. We show that accuracy is limited by energy consumption, suggesting that there are fundamental thermodynamic constraints on statistical inference.

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

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 2 2012-04-01 2012-04-01 false What is the requirement to establish a batch... System: Requirements for the Batch Production Record § 111.255 What is the requirement to establish a batch production record? (a) You must prepare a batch production record every time you manufacture...

  7. 40 CFR 205.57-7 - Acceptance and rejection of batch sequence.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 26 2013-07-01 2013-07-01 false Acceptance and rejection of batch....57-7 Acceptance and rejection of batch sequence. (a) The manufacturer will continue to inspect consecutive batches until the batch sequence is accepted or rejected based upon the number of rejected...

  8. 40 CFR 205.57-7 - Acceptance and rejection of batch sequence.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 26 2012-07-01 2011-07-01 true Acceptance and rejection of batch....57-7 Acceptance and rejection of batch sequence. (a) The manufacturer will continue to inspect consecutive batches until the batch sequence is accepted or rejected based upon the number of rejected...

  9. 40 CFR 63.1327 - Batch process vents-reporting requirements.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 12 2012-07-01 2011-07-01 true Batch process vents-reporting... Batch process vents—reporting requirements. (a) The owner or operator of a batch process vent or aggregate batch vent stream at an affected source shall submit the information specified in paragraphs...

  10. 40 CFR 204.57-6 - Acceptance and rejection of batches.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 25 2011-07-01 2011-07-01 false Acceptance and rejection of batches... Acceptance and rejection of batches. (a) A failing compressor is one whose measured sound level is in excess of the applicable noise emission standard. (b) The batch from which a batch sample is selected...

  11. 40 CFR 204.57-6 - Acceptance and rejection of batches.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Acceptance and rejection of batches... Acceptance and rejection of batches. (a) A failing compressor is one whose measured sound level is in excess of the applicable noise emission standard. (b) The batch from which a batch sample is selected...

  12. 40 CFR 63.492 - Batch front-end process vents-reporting requirements.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 10 2013-07-01 2013-07-01 false Batch front-end process vents... § 63.492 Batch front-end process vents—reporting requirements. (a) The owner or operator of a batch front-end process vent or aggregate batch vent stream at an affected source shall submit the...

  13. 40 CFR 204.57-6 - Acceptance and rejection of batches.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 26 2013-07-01 2013-07-01 false Acceptance and rejection of batches... Acceptance and rejection of batches. (a) A failing compressor is one whose measured sound level is in excess of the applicable noise emission standard. (b) The batch from which a batch sample is selected...

  14. 40 CFR 205.57-7 - Acceptance and rejection of batch sequence.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 25 2011-07-01 2011-07-01 false Acceptance and rejection of batch....57-7 Acceptance and rejection of batch sequence. (a) The manufacturer will continue to inspect consecutive batches until the batch sequence is accepted or rejected based upon the number of rejected...

  15. 40 CFR 63.492 - Batch front-end process vents-reporting requirements.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 10 2012-07-01 2012-07-01 false Batch front-end process vents... § 63.492 Batch front-end process vents—reporting requirements. (a) The owner or operator of a batch front-end process vent or aggregate batch vent stream at an affected source shall submit the...

  16. 40 CFR 1065.341 - CVS and batch sampler verification (propane check).

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 34 2013-07-01 2013-07-01 false CVS and batch sampler verification... Measurements § 1065.341 CVS and batch sampler verification (propane check). (a) A propane check serves as a CVS... also serves as a batch-sampler verification to determine if there is a discrepancy in a batch...

  17. 21 CFR 111.255 - What is the requirement to establish a batch production record?

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 2 2014-04-01 2014-04-01 false What is the requirement to establish a batch... System: Requirements for the Batch Production Record § 111.255 What is the requirement to establish a batch production record? (a) You must prepare a batch production record every time you manufacture...

  18. 40 CFR 63.486 - Batch front-end process vent provisions.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 10 2012-07-01 2012-07-01 false Batch front-end process vent... Batch front-end process vent provisions. (a) Batch front-end process vents. Except as specified in paragraph (b) of this section, owners and operators of new and existing affected sources with batch...

  19. 40 CFR 63.492 - Batch front-end process vents-reporting requirements.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 9 2011-07-01 2011-07-01 false Batch front-end process vents-reporting... Batch front-end process vents—reporting requirements. (a) The owner or operator of a batch front-end process vent or aggregate batch vent stream at an affected source shall submit the information...

  20. 40 CFR 63.1327 - Batch process vents-reporting requirements.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 11 2011-07-01 2011-07-01 false Batch process vents-reporting... Batch process vents—reporting requirements. (a) The owner or operator of a batch process vent or aggregate batch vent stream at an affected source shall submit the information specified in paragraphs...

  1. 40 CFR 63.1327 - Batch process vents-reporting requirements.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 12 2014-07-01 2014-07-01 false Batch process vents-reporting... § 63.1327 Batch process vents—reporting requirements. (a) The owner or operator of a batch process vent or aggregate batch vent stream at an affected source shall submit the information specified...

  2. 40 CFR 63.486 - Batch front-end process vent provisions.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 9 2010-07-01 2010-07-01 false Batch front-end process vent provisions... Batch front-end process vent provisions. (a) Batch front-end process vents. Except as specified in paragraph (b) of this section, owners and operators of new and existing affected sources with batch...

  3. 40 CFR 205.57-7 - Acceptance and rejection of batch sequence.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 25 2014-07-01 2014-07-01 false Acceptance and rejection of batch....57-7 Acceptance and rejection of batch sequence. (a) The manufacturer will continue to inspect consecutive batches until the batch sequence is accepted or rejected based upon the number of rejected...

  4. 40 CFR 204.57-6 - Acceptance and rejection of batches.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 26 2012-07-01 2011-07-01 true Acceptance and rejection of batches... Acceptance and rejection of batches. (a) A failing compressor is one whose measured sound level is in excess of the applicable noise emission standard. (b) The batch from which a batch sample is selected...

  5. 40 CFR 204.57-6 - Acceptance and rejection of batches.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 25 2014-07-01 2014-07-01 false Acceptance and rejection of batches... Acceptance and rejection of batches. (a) A failing compressor is one whose measured sound level is in excess of the applicable noise emission standard. (b) The batch from which a batch sample is selected...

  6. 40 CFR 63.486 - Batch front-end process vent provisions.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 10 2014-07-01 2014-07-01 false Batch front-end process vent... Batch front-end process vent provisions. (a) Batch front-end process vents. Except as specified in paragraph (b) of this section, owners and operators of new and existing affected sources with batch...

  7. 40 CFR 63.486 - Batch front-end process vent provisions.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 9 2011-07-01 2011-07-01 false Batch front-end process vent provisions... Batch front-end process vent provisions. (a) Batch front-end process vents. Except as specified in paragraph (b) of this section, owners and operators of new and existing affected sources with batch...

  8. 40 CFR 63.486 - Batch front-end process vent provisions.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 10 2013-07-01 2013-07-01 false Batch front-end process vent... Batch front-end process vent provisions. (a) Batch front-end process vents. Except as specified in paragraph (b) of this section, owners and operators of new and existing affected sources with batch...

  9. 21 CFR 111.255 - What is the requirement to establish a batch production record?

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 2 2010-04-01 2010-04-01 false What is the requirement to establish a batch... System: Requirements for the Batch Production Record § 111.255 What is the requirement to establish a batch production record? (a) You must prepare a batch production record every time you manufacture...

  10. 40 CFR 63.1327 - Batch process vents-reporting requirements.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 11 2010-07-01 2010-07-01 true Batch process vents-reporting... Batch process vents—reporting requirements. (a) The owner or operator of a batch process vent or aggregate batch vent stream at an affected source shall submit the information specified in paragraphs...

  11. Towards Batched Linear Solvers on Accelerated Hardware Platforms

    SciTech Connect

    Haidar, Azzam; Dong, Tingzing Tim; Tomov, Stanimire; Dongarra, Jack J

    2015-01-01

    As hardware evolves, an increasingly effective approach to develop energy efficient, high-performance solvers, is to design them to work on many small and independent problems. Indeed, many applications already need this functionality, especially for GPUs, which are known to be currently about four to five times more energy efficient than multicore CPUs for every floating-point operation. In this paper, we describe the development of the main one-sided factorizations: LU, QR, and Cholesky; that are needed for a set of small dense matrices to work in parallel. We refer to such algorithms as batched factorizations. Our approach is based on representing the algorithms as a sequence of batched BLAS routines for GPU-contained execution. Note that this is similar in functionality to the LAPACK and the hybrid MAGMA algorithms for large-matrix factorizations. But it is different from a straightforward approach, whereby each of GPU's symmetric multiprocessors factorizes a single problem at a time. We illustrate how our performance analysis together with the profiling and tracing tools guided the development of batched factorizations to achieve up to 2-fold speedup and 3-fold better energy efficiency compared to our highly optimized batched CPU implementations based on the MKL library on a two-sockets, Intel Sandy Bridge server. Compared to a batched LU factorization featured in the NVIDIA's CUBLAS library for GPUs, we achieves up to 2.5-fold speedup on the K40 GPU.

  12. A graphical technique for wastewater minimisation in batch processes.

    PubMed

    Majozi, Thokozani; Brouckaert, C J; Buckley, C A

    2006-03-01

    Presented in this paper is a graphical technique for freshwater and wastewater minimisation in completely batch operations. Water minimisation is achieved through the exploitation of inter- and intra-process water reuse and recycle opportunities. In the context of this paper, a completely batch operation is one in which water reuse or recycle can only be effected either at the start or the end of the process. During the course of the operation, water reuse and recycle opportunities are completely nullified. The intrinsic two-dimensionally constrained nature of batch processes is taken into consideration. In the first instance, time dimension is taken as a primary constraint and concentration a secondary constraint. Subsequently, the priority of constraints is reversed so as to demonstrate the effect of the targeting procedure on the final design. Attention is brought to the fact that first and cyclic-state targeting are essential in completely batch operations. Moreover, the exploration and use of inherent storage in batch processes is demonstrated using a real-life case study. Like most graphical techniques, the presented methodology is limited to single contaminants.

  13. Confocal microscopy study of uptake kinetics of alpha-lactalbumin and beta-lactoglobulin onto the cation-exchanger SP Sepharose FF.

    PubMed

    El-Sayed, Mayyada M H; Chase, Howard A

    2009-09-01

    Confocal laser scanning microscopy (CLSM) was used to study single- and two-component protein uptake for alpha-lactalbumin (ALA) and beta-lactoglobulin (BLG), as models for whey proteins, to SP Sepharose FF at pH 3.7 during batch experiments in a finite bath. By coupling a fluorescent dye with the protein molecule, the penetration into individual adsorbent particles at different times during batch uptake was visualised. In a single-component system, BLG penetrated fast into the adsorbent beads and gradually filled them in a shell-wise fashion, while adsorption of ALA was mostly confined to the outer shells of the adsorbent. For the two-component studies, the results showed that ALA was able to displace BLG despite its lower affinity to the adsorbent under the employed conditions. CLSM results were then compared both qualitatively and quantitatively to their counterparts obtained in traditional experiments by indirect measurements of the protein concentration in the fluid phase. A novel quantitative approach was undertaken by modifying the simple kinetic rate model traditionally used to determine the kinetic rate constant, k(1), for batch uptake experiments, in order to describe batch uptake kinetics based on CLSM data. Although BLG results were in good agreement, there was a discrepancy in ALA results.

  14. Arsenic Uptake by Hydroxyapatite in the Presence of Fe(II)

    NASA Astrophysics Data System (ADS)

    Sahai, N.; Lee, Y. J.; Xu, H.; Ciardelli, M.

    2005-12-01

    We have examined As(III) and As(V) uptake by hydroxyapatite (HAP) in the absence and presence of the commonly occurring geochemical species, Fe(II), in a system open to the atmosphere and at near-neutral pH. The immediate goal of our project is to develop an inexpensive, efficient remediation method for the acute As contamination problem in well-waters of Bangladesh and Eastern India. Our study also provide a conceptual model system for understanding cation, neutral species and anion uptake by a class of minerals (apatites) capable of multiple substitutions, the effect of co-ions on metal(loid) uptake and the geochemically ubiquitous, but relatively poorly-understood, process of coprecipitation. Batch experiments on HAP suspensions, equilibrated for 24 hours, indicate that As(III) and As(V) uptake is slightly greater in the presence of HAP compared to the control experiment. The addition of Fe(II) significantly improves As(III) and As(V) uptake from solutions, both, without and with HAP suspensions. Analyses of equilibrated solutions and High Resolution Transmission Electron Microscopy of solids formed suggest that precipitation of amorphous FePO4.nH2O nanoparticles (10-20 nm) is mainly responsible for As removal with additional uptake by HAP. The efficiency of the process suggests the potential for an effective remediation strategy of As-contaminated drinking water after it has been withdrawn from the affected well.

  15. Thermodynamic aspects of heat pipe operation

    NASA Technical Reports Server (NTRS)

    Richter, Robert; Gottschlich, Joseph

    1990-01-01

    An expanded heat pipe operating model is described which includes thermodynamic and heat transfer considerations to reconcile disparities between actual and theoretical heat pipe performances. The analysis shows that thermodynamic considerations can explain the observed heat pipe performance limitations. A full understanding of thermodynamic processes could lead to advanced concepts for thermal transport devices.

  16. Post-uptake metabolism affects quantification of amino acid uptake.

    PubMed

    Warren, Charles R

    2012-01-01

    • The quantitative significance of amino acids to plant nutrition remains controversial. This experiment determined whether post-uptake metabolism and root to shoot export differ between glycine and glutamine, and examined implications for estimation of amino acid uptake. • Field soil containing a Eucalyptus pauciflora seedling was injected with uniformly (13)C- and (15)N-labelled glycine or glutamine. I quantified (15)N and (13)C excess in leaves and roots and intact labelled amino acids in leaves, roots and stem xylem sap. A tunable diode laser quantified fluxes of (12)CO(2) and (13)CO(2) from leaves and soil. • 60-360 min after addition of amino acid, intact molecules of U-(13)C,(15)N glutamine were < 5% of (15)N excess in roots, whereas U-(13)C,(15)N glycine was 30-100% of (15)N excess in roots. Intact molecules of glutamine, but not glycine, were exported from roots to shoots. • Post-uptake metabolism and transport complicate interpretation of isotope labelling such that root and shoot contents of intact amino acid, (13)C and (15)N may not reflect rates of uptake. Future experiments should focus on reconciling discrepancies between intact amino acid, (13)C and (15)N by determining the turnover of amino acids within roots. Alternatively, post-uptake metabolism and transport could be minimized by harvesting plants within minutes of isotope addition.

  17. Agro-industrial waste: a low cost adsorbent for effective removal of 4-chloro-2-methylphenoxyacetic acid herbicide in batch and packed bed modes.

    PubMed

    Deokar, Sunil K; Mandavgane, Sachin A; Kulkarni, Bhaskar D

    2016-08-01

    The present work describes the aqueous phase removal of 4-chloro-2-methylphenoxyacetic acid herbicide by rice husk ash (RHA) using batch and packed bed adsorption techniques. The effects of dosage, initial concentration, time, pH, temperature, and particle size of adsorbent in batch compared with effects of influent concentration, flow rate, and bed height in packed bed were studied. The particle size effect reveals that the removal is dependent on chemical composition (silica and carbon content) together with BET surface area of RHA. The aptness of Langmuir isotherm to batch data indicates the favorable adsorption whereas that of Temkin isotherm informs the heterogeneous nature of RHA. The kinetics of adsorption follows the pseudo-second order and Elovich models while thermodynamics of process indicates the exothermic adsorption. Among the models applied in packed bed study, the deactivation kinetic, Yoon-Nelson and bed depth service time (BDST) models are suitable to explain the packed bed adsorption. The adsorption capacity of RHA in packed bed study is found greater than that in batch. The adsorption capacity of RHA determined by the BDST model is 3019 mg/L for 90 % saturation of bed. The adsorption capacity of RHA based on weight is ∼2.3 times and that based on surface area is ∼55.55 times greater than that of granular activated carbon.

  18. Agro-industrial waste: a low cost adsorbent for effective removal of 4-chloro-2-methylphenoxyacetic acid herbicide in batch and packed bed modes.

    PubMed

    Deokar, Sunil K; Mandavgane, Sachin A; Kulkarni, Bhaskar D

    2016-08-01

    The present work describes the aqueous phase removal of 4-chloro-2-methylphenoxyacetic acid herbicide by rice husk ash (RHA) using batch and packed bed adsorption techniques. The effects of dosage, initial concentration, time, pH, temperature, and particle size of adsorbent in batch compared with effects of influent concentration, flow rate, and bed height in packed bed were studied. The particle size effect reveals that the removal is dependent on chemical composition (silica and carbon content) together with BET surface area of RHA. The aptness of Langmuir isotherm to batch data indicates the favorable adsorption whereas that of Temkin isotherm informs the heterogeneous nature of RHA. The kinetics of adsorption follows the pseudo-second order and Elovich models while thermodynamics of process indicates the exothermic adsorption. Among the models applied in packed bed study, the deactivation kinetic, Yoon-Nelson and bed depth service time (BDST) models are suitable to explain the packed bed adsorption. The adsorption capacity of RHA in packed bed study is found greater than that in batch. The adsorption capacity of RHA determined by the BDST model is 3019 mg/L for 90 % saturation of bed. The adsorption capacity of RHA based on weight is ∼2.3 times and that based on surface area is ∼55.55 times greater than that of granular activated carbon. PMID:27151241

  19. Nitrogen Uptake in Spinach

    NASA Astrophysics Data System (ADS)

    Ramirez, J.; VanBenthem, P.

    2013-12-01

    A plant's absorption of nitrogen can be encouraged by a variety of environmental factors, especially the application of fertilizers. As a common limiting factor in plant growth, not up taking enough nitrogen can be a result of an unhealthy plant. Moreover, as farmers seek out methods to increase growth of plants, fertilizers are used as a solution to the issue of nitrogen deficiency to incorporate additional nitrogen from chemical or organic sources, by not using the right fertilizer can greatly affect the plats. The point of this research project is to determine the effect of various fertilizers on the plant growth, and to correlate the measured nitrogen, water and chlorophyll content in spinach leaves. Spinach leaves were used because they are known to quickly uptake chemicals in the environment. The spinach plants were exposed to four different growing parameters, which are referred to as control, ammonium nitrate, MiracleGro , and organic. The spinach was originally placed in nitrogen deficient soil with only 2.2x10 4 weight percent (wt. %) nitrogen. The leaves in the control group were grown in this nitrogen deficient soil without any fertilizer added. Ammomium nitrate and MiracleGro were added to the spinach in the A and MG groups, respectively, and organic chicken stool was used for the O group. By using a spectral imaging system and flame combustion techniques, the chlorophyll content can be related to the nitrogen content in the spinach leaves. In these spinach leaves, nitrogen and chlorophyll content were measured, chlorophyll is a green pigment that plays a crucial role in producing nutrients for green plants. The lack of chlorophyll will allow the plant to become susceptible to diseases, so it is extremely important that the plants have a high content of chlorophyll. The role of nitrogen in chlorophyll is very important and helps in the creation of chlorophyll; therefore it is necessary that an appropriate amount of nitrogen is added for optimal growth

  20. Mechanisms of Ocean Heat Uptake

    NASA Astrophysics Data System (ADS)

    Garuba, Oluwayemi

    An important parameter for the climate response to increased greenhouse gases or other radiative forcing is the speed at which heat anomalies propagate downward in the ocean. Ocean heat uptake occurs through passive advection/diffusion of surface heat anomalies and through the redistribution of existing temperature gradients due to circulation changes. Atlantic meridional overturning circulation (AMOC) weakens in a warming climate and this should slow the downward heat advection (compared to a case in which the circulation is unchanged). However, weakening AMOC also causes a deep warming through the redistributive effect, thus increasing the downward rate of heat propagation compared to unchanging circulation. Total heat uptake depends on the combined effect of these two mechanisms. Passive tracers in a perturbed CO2 quadrupling experiments are used to investigate the effect of passive advection and redistribution of temperature anomalies. A new passive tracer formulation is used to separate ocean heat uptake into contributions due to redistribution and passive advection-diffusion of surface heating during an ocean model experiment with abrupt increase in surface temperature. The spatial pattern and mechanisms of each component are examined. With further experiments, the effects of surface wind, salinity and temperature changes in changing circulation and the resulting effect on redistribution in the individual basins are isolated. Analysis of the passive advection and propagation path of the tracer show that the Southern ocean dominates heat uptake, largely through vertical and horizontal diffusion. Vertical diffusion transports the tracer across isopycnals down to about 1000m in 100 years in the Southern ocean. Advection is more important in the subtropical cells and in the Atlantic high latitudes, both with a short time scale of about 20 years. The shallow subtropical cells transport the tracer down to about 500m along isopycnal surfaces, below this vertical

  1. Thermodynamics and statistical mechanics. [thermodynamic properties of gases

    NASA Technical Reports Server (NTRS)

    1976-01-01

    The basic thermodynamic properties of gases are reviewed and the relations between them are derived from the first and second laws. The elements of statistical mechanics are then formulated and the partition function is derived. The classical form of the partition function is used to obtain the Maxwell-Boltzmann distribution of kinetic energies in the gas phase and the equipartition of energy theorem is given in its most general form. The thermodynamic properties are all derived as functions of the partition function. Quantum statistics are reviewed briefly and the differences between the Boltzmann distribution function for classical particles and the Fermi-Dirac and Bose-Einstein distributions for quantum particles are discussed.

  2. Batch Statistical Process Monitoring Approach to a Cocrystallization Process.

    PubMed

    Sarraguça, Mafalda C; Ribeiro, Paulo R S; Santos, Adenilson O Dos; Lopes, João A

    2015-12-01

    Cocrystals are defined as crystalline structures composed of two or more compounds that are solid at room temperature held together by noncovalent bonds. Their main advantages are the increase of solubility, bioavailability, permeability, stability, and at the same time retaining active pharmaceutical ingredient bioactivity. The cocrystallization between furosemide and nicotinamide by solvent evaporation was monitored on-line using near-infrared spectroscopy (NIRS) as a process analytical technology tool. The near-infrared spectra were analyzed using principal component analysis. Batch statistical process monitoring was used to create control charts to perceive the process trajectory and define control limits. Normal and non-normal operating condition batches were performed and monitored with NIRS. The use of NIRS associated with batch statistical process models allowed the detection of abnormal variations in critical process parameters, like the amount of solvent or amount of initial components present in the cocrystallization.

  3. Optimization for a recombinant E. coli fed-batch fermentation.

    PubMed

    Chen, Q; Bentley, W E; Weigand, W A

    1995-01-01

    The operating strategy that produces the maximum foreign protein expression for a fed-batch process is desired. This is achieved by using a feasible quadratic programming (FSQP) algorithm with a structured model that describes cell growth and product formation for recombinant E. coli. Optimization calculations for a fed-batch culture have not been performed with a model of this complexity up to this point. A constraint on the maximum cell concentration was included. For a fixed value of batch time, the results show that the optimal time profile of feed flow rate can increase the yield of foreign protein by 12-29% over a constant feed rate policy. Also, it was found that the computation time for the FSQP algorithm can be reduced significantly by considering suboptimal profiles of the feed rate, with a minor effect on calculated protein yield.

  4. 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. The environment can also be used 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 equivalent to those used in high-fidelity piloted simulation. Databases representative of a modern high-performance aircraft with and without thrust-vectoring capability are included. To simplify the task of developing and implementing maneuvering logics in the TMS, an outer-loop control system known as the Tactical Autopilot (TA) is implemented in the aircraft simulation model. The TA converts 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. This report describes the capabilities and operation of the TMS.

  5. Thermodynamic properties of modified gravity theories

    NASA Astrophysics Data System (ADS)

    Bamba, Kazuharu

    2016-06-01

    We review thermodynamic properties of modified gravity theories, such as F(R) gravity and f(T) gravity, where R is the scalar curvature and T is the torsion scalar in teleparallelism. In particular, we explore the equivalence between the equations of motion for modified gravity theories and the Clausius relation in thermodynamics. In addition, thermodynamics of the cosmological apparent horizon is investigated in f(T) gravity. We show both equilibrium and nonequilibrium descriptions of thermodynamics. It is demonstrated that the second law of thermodynamics in the universe can be met, when the temperature of the outside of the apparent horizon is equivalent to that of the inside of it.

  6. Thermodynamic model of nonequilibrium phase transitions.

    PubMed

    Martyushev, L M; Konovalov, M S

    2011-07-01

    Within the scope of a thermodynamic description using the maximum entropy production principle, transitions from one nonequilibrium (kinetic) regime to another are considered. It is shown that in the case when power-law dependencies of thermodynamic flux on force are similar for two regimes, only a transition accompanied by a positive jump of thermodynamic flux is possible between them. It is found that the difference in powers of the dependencies of thermodynamic fluxes on forces results in a number of interesting nonequilibrium transitions between kinetic regimes, including the reentrant one with a negative jump of thermodynamic flux. PMID:21867119

  7. Presenilin Promotes Dietary Copper Uptake

    PubMed Central

    Southon, Adam; Greenough, Mark A.; Ganio, George; Bush, Ashley I.; Burke, Richard; Camakaris, James

    2013-01-01

    Dietary copper is essential for multicellular organisms. Copper is redox active and required as a cofactor for enzymes such as the antioxidant Superoxide Dismutase 1 (SOD1). Copper dyshomeostasis has been implicated in Alzheimer’s disease. Mutations in the presenilin genes encoding PS1 and PS2 are major causes of early-onset familial Alzheimer’s disease. PS1 and PS2 are required for efficient copper uptake in mammalian systems. Here we demonstrate a conserved role for presenilin in dietary copper uptake in the fly Drosophila melanogaster. Ubiquitous RNA interference-mediated knockdown of the single Drosophila presenilin (PSN) gene is lethal. However, PSN knockdown in the midgut produces viable flies. These flies have reduced copper levels and are more tolerant to excess dietary copper. Expression of a copper-responsive EYFP construct was also lower in the midgut of these larvae, indicative of reduced dietary copper uptake. SOD activity was reduced by midgut PSN knockdown, and these flies were sensitive to the superoxide-inducing chemical paraquat. These data support presenilin being needed for dietary copper uptake in the gut and so impacting on SOD activity and tolerance to oxidative stress. These results are consistent with previous studies of mammalian presenilins, supporting a conserved role for these proteins in mediating copper uptake. PMID:23667524

  8. l-Methionine Placental Uptake

    PubMed Central

    Araújo, João R.; Correia-Branco, Ana; Ramalho, Carla; Gonçalves, Pedro; Pinho, Maria J.; Keating, Elisa

    2013-01-01

    Our aim was to investigate the influence of gestational diabetes mellitus (GDM) and GDM-associated conditions upon the placental uptake of 14C-l-methionine (14C-l-Met). The 14C-l-Met uptake by human trophoblasts (TBs) obtained from normal pregnancies (normal trophoblast [NTB] cells) is mainly system l-type amino acid transporter 1 (LAT1 [L])-mediated, although a small contribution of system y+LAT2 is also present. Comparison of 14C-l-Met uptake by NTB and by human TBs obtained from GDM pregnancies (diabetic trophoblast [DTB] cells) reveals similar kinetics, but a contribution of systems A, LAT2, and b0+ and a greater contribution of system y+LAT1 appears to exist in DTB cells. Short-term exposure to insulin and long-term exposure to high glucose, tumor necrosis factor-α, and leptin decrease 14C-l-Met uptake in a human TB (Bewo) cell line. The effect of leptin was dependent upon phosphoinositide 3-kinase, extracellular-signal-regulated kinase 1/2 (ERK/MEK 1/2), and p38 mitogen-activated protein kinase. In conclusion, GDM does not quantitatively alter 14C-l-Met placental uptake, although it changes the nature of transporters involved in that process. PMID:23653387

  9. Stochastic growth logistic model with aftereffect for batch fermentation process

    SciTech Connect

    Rosli, Norhayati; Ayoubi, Tawfiqullah; Bahar, Arifah; Rahman, Haliza Abdul; Salleh, Madihah Md

    2014-06-19

    In this paper, the stochastic growth logistic model with aftereffect for the cell growth of C. acetobutylicum P262 and Luedeking-Piret equations for solvent production in batch fermentation system is introduced. The parameters values of the mathematical models are estimated via Levenberg-Marquardt optimization method of non-linear least squares. We apply Milstein scheme for solving the stochastic models numerically. The effciency of mathematical models is measured by comparing the simulated result and the experimental data of the microbial growth and solvent production in batch system. Low values of Root Mean-Square Error (RMSE) of stochastic models with aftereffect indicate good fits.

  10. Stochastic growth logistic model with aftereffect for batch fermentation process

    NASA Astrophysics Data System (ADS)

    Rosli, Norhayati; Ayoubi, Tawfiqullah; Bahar, Arifah; Rahman, Haliza Abdul; Salleh, Madihah Md

    2014-06-01

    In this paper, the stochastic growth logistic model with aftereffect for the cell growth of C. acetobutylicum P262 and Luedeking-Piret equations for solvent production in batch fermentation system is introduced. The parameters values of the mathematical models are estimated via Levenberg-Marquardt optimization method of non-linear least squares. We apply Milstein scheme for solving the stochastic models numerically. The effciency of mathematical models is measured by comparing the simulated result and the experimental data of the microbial growth and solvent production in batch system. Low values of Root Mean-Square Error (RMSE) of stochastic models with aftereffect indicate good fits.

  11. Dissolution retardation of solid silica during glass batch-melting

    SciTech Connect

    Hrma, Pavel R.; Marcial, Jose

    2011-07-15

    During glass-batch melting, solid silica (quartz) usually dissolves last. A retardation function was defined as a measure of the progressive inhibition of silica dissolution that occurs during batch melting. This function is based on the comparison of the measured rate of dissolution of silica particles with the hypothetical diffusion-controlled volume flux from regularly distributed particles with uniform concentration layers around them. The severe inhibition of silica dissolution has been attributed to the irregular spatial distribution of silica particles that is associated with the formation of nearly saturated melt at a portion of their surfaces. Irregular shapes and unequal sizes of particles also contribute to their extended lifetime.

  12. [Hydroxycinnamic acid levels of various batches from mugwort flowering tops].

    PubMed

    Fraisse, D; Carnat, A; Carnat, A-P; Guédon, D; Lamaison, J-L

    2003-07-01

    Dried flowering tops of 24 harvested batches (Artemisia vulgaris: 13; Artemisia verlotiorum: 11) and 12 batches of mugwort from commercial origin were examined. The levels of principal compounds averaged respectively: total hydroxycinnamic acids 6.09; 10.29 and 9.13%, chlorogenic acid 0.79; 2.05 and 1.35%, 1,5-dicaffeoylquinic acid 0.51; 4.01 and 1.25%, 3,5-dicaffeoylquinic acid 2.21; 1.25 and 2.60%. Specifications were discussed for an European Pharmacopoeial monography.

  13. [Hydroxycinnamic acid levels of various batches from mugwort flowering tops].

    PubMed

    Fraisse, D; Carnat, A; Carnat, A-P; Guédon, D; Lamaison, J-L

    2003-07-01

    Dried flowering tops of 24 harvested batches (Artemisia vulgaris: 13; Artemisia verlotiorum: 11) and 12 batches of mugwort from commercial origin were examined. The levels of principal compounds averaged respectively: total hydroxycinnamic acids 6.09; 10.29 and 9.13%, chlorogenic acid 0.79; 2.05 and 1.35%, 1,5-dicaffeoylquinic acid 0.51; 4.01 and 1.25%, 3,5-dicaffeoylquinic acid 2.21; 1.25 and 2.60%. Specifications were discussed for an European Pharmacopoeial monography. PMID:12843960

  14. Kinetic, isotherm and thermodynamic studies of amaranth dye biosorption from aqueous solution onto water hyacinth leaves.

    PubMed

    Guerrero-Coronilla, Imelda; Morales-Barrera, Liliana; Cristiani-Urbina, Eliseo

    2015-04-01

    The present study explored the kinetics, equilibrium and thermodynamics of amaranth (acid red 27) anionic dye (AD) biosorption to water hyacinth leaves (LEC). The effect of LEC particle size, contact time, solution pH, initial AD concentration and temperature on AD biosorption was studied in batch experiments. AD biosorption increased with rising contact time and initial AD concentration, and with decreasing LEC particle size and solution pH. Pseudo-second-order chemical reaction kinetics provided the best correlation for the experimental data. Isotherm studies showed that the biosorption of AD onto LEC closely follows the Langmuir isotherm, with a maximum biosorption capacity of about 70 mg g(-1). The thermodynamic parameters confirm that AD biosorption by LEC is non-spontaneous and endothermic in nature. Results indicate that LEC is a strong biosorbent capable of effective detoxification of AD-laden wastewaters.

  15. Thermodynamics of combined cycle plant

    NASA Astrophysics Data System (ADS)

    Crane, R. I.

    The fundamental thermodynamics of power plants including definitions of performance criteria and an introduction to exergy are reviewed, and treatments of simplified performance calculations for the components which form the major building blocks and a gas/steam combined cycle plant are given: the gas turbine, the heat recovery steam generator, and the remainder of the steam plant. Efficiency relationships and energy and exergy analyses of combined cycle plant are presented, with examples. Among the aspects considered are gas turbine performance characteristics and fuels, temperature differences for heat recovery, multiple steam pressures and reheat, supplementary firing and feed water heating. Attention is drawn to points of thermodynamic interest arising from applications of combined cycle plant to repowering of existing steam plant and to combined heat and power (cogeneration); some advances, including coal firing, are also introduced.

  16. The 4th Thermodynamic Principle?

    SciTech Connect

    Montero Garcia, Jose de la Luz; Novoa Blanco, Jesus Francisco

    2007-04-28

    It should be emphasized that the 4th Principle above formulated is a thermodynamic principle and, at the same time, is mechanical-quantum and relativist, as it should inevitably be and its absence has been one of main the theoretical limitations of the physical theory until today.We show that the theoretical discovery of Dimensional Primitive Octet of Matter, the 4th Thermodynamic Principle, the Quantum Hexet of Matter, the Global Hexagonal Subsystem of Fundamental Constants of Energy and the Measurement or Connected Global Scale or Universal Existential Interval of the Matter is that it is possible to be arrived at a global formulation of the four 'forces' or fundamental interactions of nature. The Einstein's golden dream is possible.

  17. Thermodynamic constraints on fluctuation phenomena

    NASA Astrophysics Data System (ADS)

    Maroney, O. J. E.

    2009-12-01

    The relationships among reversible Carnot cycles, the absence of perpetual motion machines, and the existence of a nondecreasing globally unique entropy function form the starting point of many textbook presentations of the foundations of thermodynamics. However, the thermal fluctuation phenomena associated with statistical mechanics has been argued to restrict the domain of validity of this basis of the second law of thermodynamics. Here we demonstrate that fluctuation phenomena can be incorporated into the traditional presentation, extending rather than restricting the domain of validity of the phenomenologically motivated second law. Consistency conditions lead to constraints upon the possible spectrum of thermal fluctuations. In a special case this uniquely selects the Gibbs canonical distribution and more generally incorporates the Tsallis distributions. No particular model of microscopic dynamics need be assumed.

  18. Thermodynamic effects on developed cavitation

    NASA Technical Reports Server (NTRS)

    Holl, J. W.; Billet, M. L.; Weir, D. S.

    1975-01-01

    The results of an investigation of thermodynamic effects are presented. Distributions of temperature and pressure in a developed cavity were measured for zero- and quarter-caliber ogives. A semiempirical entrainment theory was developed to correlate the measured temperature depression in the cavity. This theory correlates the maximum temperature depression expressed in dimensionless form as the Jakob number in terms of the dimensionless numbers of Nusselt, Reynolds, Froude, and Peclet, and dimensionless cavity length, L/D. The results show that in general, the temperature depression increases with L/D and temperature and the cavitation number based on measured cavity pressure is a function of L/D for a given model contour, independent of the thermodynamic effect.

  19. Thermodynamics of stochastic Turing machines.

    PubMed

    Strasberg, Philipp; Cerrillo, Javier; Schaller, Gernot; Brandes, Tobias

    2015-10-01

    In analogy to Brownian computers we explicitly show how to construct stochastic models which mimic the behavior of a general-purpose computer (a Turing machine). Our models are discrete state systems obeying a Markovian master equation, which are logically reversible and have a well-defined and consistent thermodynamic interpretation. The resulting master equation, which describes a simple one-step process on an enormously large state space, allows us to thoroughly investigate the thermodynamics of computation for this situation. Especially in the stationary regime we can well approximate the master equation by a simple Fokker-Planck equation in one dimension. We then show that the entropy production rate at steady state can be made arbitrarily small, but the total (integrated) entropy production is finite and grows logarithmically with the number of computational steps. PMID:26565165

  20. Dissipation Bound for Thermodynamic Control.

    PubMed

    Machta, Benjamin B

    2015-12-31

    Biological and engineered systems operate by coupling function to the transfer of heat and/or particles down a thermal or chemical gradient. In idealized deterministically driven systems, thermodynamic control can be exerted reversibly, with no entropy production, as long as the rate of the protocol is made slow compared to the equilibration time of the system. Here we consider fully realizable, entropically driven systems where the control parameters themselves obey rules that are reversible and that acquire directionality in time solely through dissipation. We show that when such a system moves in a directed way through thermodynamic space, it must produce entropy that is on average larger than its generalized displacement as measured by the Fisher information metric. This distance measure is subextensive but cannot be made small by slowing the rate of the protocol. PMID:26764981

  1. Dissipation Bound for Thermodynamic Control

    NASA Astrophysics Data System (ADS)

    Machta, Benjamin B.

    2015-12-01

    Biological and engineered systems operate by coupling function to the transfer of heat and/or particles down a thermal or chemical gradient. In idealized deterministically driven systems, thermodynamic control can be exerted reversibly, with no entropy production, as long as the rate of the protocol is made slow compared to the equilibration time of the system. Here we consider fully realizable, entropically driven systems where the control parameters themselves obey rules that are reversible and that acquire directionality in time solely through dissipation. We show that when such a system moves in a directed way through thermodynamic space, it must produce entropy that is on average larger than its generalized displacement as measured by the Fisher information metric. This distance measure is subextensive but cannot be made small by slowing the rate of the protocol.

  2. Thermodynamic Model of Spatial Memory

    NASA Astrophysics Data System (ADS)

    Kaufman, Miron; Allen, P.

    1998-03-01

    We develop and test a thermodynamic model of spatial memory. Our model is an application of statistical thermodynamics to cognitive science. It is related to applications of the statistical mechanics framework in parallel distributed processes research. Our macroscopic model allows us to evaluate an entropy associated with spatial memory tasks. We find that older adults exhibit higher levels of entropy than younger adults. Thurstone's Law of Categorical Judgment, according to which the discriminal processes along the psychological continuum produced by presentations of a single stimulus are normally distributed, is explained by using a Hooke spring model of spatial memory. We have also analyzed a nonlinear modification of the ideal spring model of spatial memory. This work is supported by NIH/NIA grant AG09282-06.

  3. Thermodynamic constraints on fluctuation phenomena.

    PubMed

    Maroney, O J E

    2009-12-01

    The relationships among reversible Carnot cycles, the absence of perpetual motion machines, and the existence of a nondecreasing globally unique entropy function form the starting point of many textbook presentations of the foundations of thermodynamics. However, the thermal fluctuation phenomena associated with statistical mechanics has been argued to restrict the domain of validity of this basis of the second law of thermodynamics. Here we demonstrate that fluctuation phenomena can be incorporated into the traditional presentation, extending rather than restricting the domain of validity of the phenomenologically motivated second law. Consistency conditions lead to constraints upon the possible spectrum of thermal fluctuations. In a special case this uniquely selects the Gibbs canonical distribution and more generally incorporates the Tsallis distributions. No particular model of microscopic dynamics need be assumed.

  4. A thermodynamically stable nanophase material.

    PubMed

    Lin, Zhang; Gilbert, Benjamin; Liu, Quanlin; Ren, Guoqiang; Huang, Feng

    2006-05-10

    Nanoparticles are metastable relative to the equivalent bulk material due to the positive excess interfacial free energy (IFE). Previous studies have shown that, with increasing surface interaction strength, the IFE diminishes but remains positive. We describe an experimental multicomponent system in which a nanoscale ZnS material is thermodynamically favored and can be formed at the expense of bulk ZnS. In 17 M sodium hydroxide solution, at 230 degrees C, both 3 nm ZnS nanoparticles and bulk ZnS are transformed into sheetlike nanocrystals with a ZnS polytype structure. Our results are theoretically compatible with the concept of a negative IFE, although not with the assumption of constant interface composition. We clarify the meaning of an effective negative IFE and present the necessary conditions for strong chemical surface interactions to stabilize nanoscale inorganic materials relative to bulk matter. Our results show that synthesis methods employing thermodynamic controls can produce nanomaterials with novel morphology.

  5. Nonequilibrium thermodynamics of pressure solution

    NASA Astrophysics Data System (ADS)

    Lehner, F. K.; Bataille, J.

    1984-01-01

    This paper is concerned with the thermodynamic theory of solution and precipitation processes in wet crustal rocks and with the mechanism of steady pressure-solution slip in ‘contact zones,’ such as grain-to-grain contacts, fracture surfaces, and permeable gouge layers, that are infiltrated by a mobile aqueous solution phase. A local dissipation jump condition at the phase boundary is fundamental to identifying the thermodynamic force driving the solution and precipitation process and is used here in setting up linear phenomenological relations to model near-equilibrium phase transformation kinetics. The local thermodynamic equilibrium of a stressed pure solid in contact with its melt or solution phase is governed by Gibbs's relation, which is rederived here, in a manner emphasizing its independence of constitutive assumptions for the solid while neglecting surface tension and diffusion in the solid. Fluid-infiltrated contact zones, such as those formed by rough surfaces, cannot generally be in thermodynamic equilibrium, especially during an ongoing process of pressure-solution slip, and the existing equilibrium formulations are incorrect in overlooking dissipative processes tending to eliminate fluctuations in superficial free energies due to stress concentrations near asperities, defects, or impurities. Steady pressure-solution slip is likely to exhibit a nonlinear dependence of slip rate on shear stress and effective normal stress, due to a dependence of the contact-zone state on the latter. Given that this dependence is negligible within some range, linear relations for pressure-solution slip can be derived for the limiting cases of diffusion-controlled and interface-reaction-controlled rates. A criterion for rate control by one of these mechanisms is set by the magnitude of the dimensionless quantity kδ/2C pD, where k is the interfacial transfer coefficient, δ is the mean diffusion path length, C p is the solubility at pressure p, and D is the mass

  6. Gluon Thermodynamics at Intermediate Coupling

    SciTech Connect

    Andersen, Jens O.; Strickland, Michael; Su Nan

    2010-03-26

    We calculate the thermodynamic functions of Yang-Mills theory to three-loop order using the hard-thermal-loop perturbation theory reorganization of finite temperature quantum field theory. We show that at three-loop order hard-thermal-loop perturbation theory is compatible with lattice results for the pressure, energy density, and entropy down to temperatures T{approx}2-3T{sub c}.

  7. Evaluation of Sludge Batch 5 Qualification with ISDP Salt Batch 1 Compliance to DWPF Waste Acceptance Criteria

    SciTech Connect

    Shafer, A.

    2010-05-05

    The purpose of this report is to document the acceptability of Sludge Batch 5 with the initial macrobatch operation of the Interim Salt Disposition Project (ISDP) waste to the Defense Waste Processing Facility (DWPF). This report was prepared to comply with the requirements listed in the Waste Acceptance Criteria for Sludge, Actinide Removal Process (ARP), and Modular Caustic Side Solvent Extraction Unit (MCU) Process Transfers to 512-S and DWPF. The requirements for transfers to 512-S were evaluated during ISDP Salt Batch 1 qualification. The calculations of sludge concentrations are based entirely on the Tank 51 sample processed at SRNL. This is conservative because Tank 51 is blended with the dilute feed in the DWPF Feed Tank (Tank 40). This report documents the acceptability of sludge only as well as Sludge Batch 5 sludge slurry combined with ARP/MCU products for feed to DWPF. All criteria were met for unblended Tank 51 material.

  8. Thermodynamic equilibrium at heterogeneous pressure

    NASA Astrophysics Data System (ADS)

    Vrijmoed, J. C.; Podladchikov, Y. Y.

    2015-07-01

    Recent advances in metamorphic petrology point out the importance of grain-scale pressure variations in high-temperature metamorphic rocks. Pressure derived from chemical zonation using unconventional geobarometry based on equal chemical potentials fits mechanically feasible pressure variations. Here, a thermodynamic equilibrium method is presented that predicts chemical zoning as a result of pressure variations by Gibbs energy minimization. Equilibrium thermodynamic prediction of the chemical zoning in the case of pressure heterogeneity is done by constrained Gibbs minimization using linear programming techniques. In addition to constraining the system composition, a certain proportion of the system is constrained at a specified pressure. Input pressure variations need to be discretized, and each discrete pressure defines an additional constraint for the minimization. The Gibbs minimization method provides identical results to a geobarometry approach based on chemical potentials, thus validating the inferred pressure gradient. The thermodynamic consistency of the calculation is supported by the similar result obtained from two different approaches. In addition, the method can be used for multi-component, multi-phase systems of which several applications are given. A good fit to natural observations in multi-phase, multi-component systems demonstrates the possibility to explain phase assemblages and zoning by spatial pressure variations at equilibrium as an alternative to pressure variation in time due to disequilibrium.

  9. Thermodynamical Structure of Protoplanetary Disks

    NASA Astrophysics Data System (ADS)

    Hirose, S.; Turner, N.

    2009-12-01

    The thermodynamics of protoplanetary disks determines chemical and physical evolution of dust and gas in the disks, and thus is relevant for understanding the origin and formation of planetary systems. In this paper, the thermodynamical structure of protoplanetary disks around low-mass stars is studied using three-dimensional radiation magnetohydrodynamic (MHD) simulations. Local patches of the disk are modeled using the shearing box approximation with vertical gravity. For simplicity, the dust and gas are well mixed and have the same temperature, and ideal MHD is assumed. The frequency-integrated radiation field is evolved using the flux-limited diffusion approximation, adopting thermally averaged opacities. The heating arises from the dissipation of MHD turbulence driven by magnetorotational instability due to differential rotation of the disk, and the cooling comes from infrared radiation losses. Irradiation by the central star is treated by injecting appropriate amount of thermal energy near the disk photosphere for visible lights. The results indicate the heating is more concentrated in the disk atmosphere than in the classical model. The single-point heating rate in the atmosphere fluctuates by orders of magnitude over time intervals comparable to the orbital period due to magnetic reconnection and shocks, while the patch of disk overall sustains dynamical and thermodynamical equilibrium over many cooling times. We will discuss implications of our numerical results for line and continuum emission from protoplanetary disks.

  10. Thermodynamics of Oligonucleotide Duplex Melting

    NASA Astrophysics Data System (ADS)

    Schreiber-Gosche, Sherrie; Edwards, Robert A.

    2009-05-01

    Melting temperatures of oligonucleotides are useful for a number of molecular biology applications, such as the polymerase chain reaction (PCR). Although melting temperatures are often calculated with simplistic empirical equations, application of thermodynamics provides more accurate melting temperatures and an opportunity for students to apply rigorous thermodynamic analysis to an important biochemical problem. Because the stacking of base pairs on top of one another is a significant factor in the energetics of oligonucleotide melting, several investigators have applied van't Hoff analysis to melting temperature data using a nearest-neighbor model and have obtained entropies and enthalpies for the stacking of bases. The present article explains how the equilibrium constant for the dissociation of strands from double-stranded oligonucleotides can be expressed in terms of the total strand concentration and thus how the total strand concentration influences the melting temperature. It also presents a simplified analysis based on the entropies and enthalpies of stacking that is manually tractable so that students can work examples to help them understand the thermodynamics of oligonucleotide melting.

  11. Thermodynamic States in Explosion Fields

    SciTech Connect

    Kuhl, A L

    2010-03-12

    We investigate the thermodynamic states occurring in explosion fields from condensed explosive charges. These states are often modeled with a Jones-Wilkins-Lee (JWL) function. However, the JWL function is not a Fundamental Equation of Thermodynamics, and therefore cannot give a complete specification of such states. We use the Cheetah code of Fried to study the loci of states of the expanded detonation products gases from C-4 charges, and their combustion products air. In the Le Chatelier Plane of specific-internal-energy versus temperature, these loci are fit with a Quadratic Model function u(T), which has been shown to be valid for T < 3,000 K and p < 1k-bar. This model is used to derive a Fundamental Equation u(v,s) for C-4. Given u(v,s), one can use Maxwell's Relations to derive all other thermodynamic functions, such as temperature: T(v,s), pressure: p(v,s), enthalpy: h(v,s), Gibbs free energy: g(v,s) and Helmholz free energy: f(v,s); these loci are displayed in figures for C-4. Such complete equations of state are needed for numerical simulations of blast waves from explosive charges, and their reflections from surfaces.

  12. Thermodynamical journey in plant biology

    PubMed Central

    Barbacci, Adelin; Magnenet, Vincent; Lahaye, Marc

    2015-01-01

    Nonequilibrium irreversible thermodynamics constitute a meaningful point of view suitable to explore life with a rich paradigm. This analytical framework can be used to span the gap from molecular processes to plant function and shows great promise to create a holistic description of life. Since living organisms dissipate energy, exchange entropy and matter with their environment, they can be assimilated to dissipative structures. This concept inherited from nonequilibrium thermodynamics has four properties which defines a scale independent framework suitable to provide a simpler and more comprehensive view of the highly complex plant biology. According to this approach, a biological function is modeled as a cascade of dissipative structures. Each dissipative structure, corresponds to a biological process, which is initiated by the amplification of a fluctuation. Evolution of the process leads to the breakage of the system symmetry and to the export of entropy. Exporting entropy to the surrounding environment corresponds to collecting information about it. Biological actors which break the symmetry of the system and which store information are by consequence, key actors on which experiments and data analysis focus most. This paper aims at illustrating properties of dissipative structure through familiar examples and thus initiating the dialogue between nonequilibrium thermodynamics and plant biology. PMID:26175747

  13. Thermodynamic curvature and ensemble nonequivalence

    NASA Astrophysics Data System (ADS)

    Bravetti, Alessandro; Nettel, Francisco

    2014-08-01

    In this work we consider thermodynamic geometries defined as Hessians of different potentials and derive some useful formulas that show their complementary role in the description of thermodynamic systems with 2 degrees of freedom that show ensemble nonequivalence. From the expressions derived for the metrics, we can obtain the curvature scalars in a very simple and compact form. We explain here the reason why each curvature scalar diverges over the line of divergence of one of the specific heats. This application is of special interest in the study of changes of stability in black holes as defined by Davies. From these results we are able to prove on a general footing a conjecture first formulated by Liu, Lü, Luo, and Shao stating that different Hessian metrics can correspond to different behaviors in the various ensembles. We study the case of two thermodynamic dimensions. Moreover, comparing our result with the more standard turning point method developed by Poincaré, we obtain that the divergence of the scalar curvature of the Hessian metric of one potential exactly matches the change of stability in the corresponding ensemble.

  14. Batch culture and repeated-batch culture of Cunninghamella bainieri 2A1 for lipid production as a comparative study.

    PubMed

    Dashti, Marjan Ganjali; Abdeshahian, Peyman

    2016-03-01

    This research was performed based on a comparative study on fungal lipid production by a locally isolated strain Cunninghamella bainieri 2A1 in batch culture and repeated-batch culture using a nitrogen-limited medium. Lipid production in the batch culture was conducted to study the effect of different agitation rates on the simultaneous consumption of ammonium tartrate and glucose sources. Lipid production in the repeated-batch culture was studied by considering the effect of harvesting time and harvesting volume of the culture broth on the lipid accumulation. The batch cultivation was carried out in a 500 ml Erlenmeyer flask containing 200 ml of the fresh nitrogen-limited medium. Microbial culture was incubated at 30 °C under different agitation rates of 120, 180 and 250 rpm for 120 h. The repeated-batch culture was performed at three harvesting times of 12, 24 and 48 h using four harvesting cultures of 60%, 70%, 80% and 90%. Experimental results revealed that nitrogen source (ammonium tartrate) was fully utilized by C. bainieri 2A1 within 24 h in all agitation rates tested. It was also observed that a high amount of glucose in culture medium was consumed by C. bainieri 2A1 at 250 rpm agitation speed during the batch fermentation. Similar results showed that the highest lipid concentration of 2.96 g/L was obtained at an agitation rate of 250 rpm at 120 h cultivation time with the maximum lipid productivity of 7.0 × 10(-2) mg/ml/h. On the other hand, experimental results showed that the highest lipid concentration produced in the repeated-batch culture was 3.30 g/L at the first cycle of 48 h harvesting time using 70% harvesting volume, while 0.23 g/L gamma-linolenic acid (GLA) was produced at the last cycle of 48 h harvesting time using 80% harvesting volume.

  15. Batch culture and repeated-batch culture of Cunninghamella bainieri 2A1 for lipid production as a comparative study

    PubMed Central

    Dashti, Marjan Ganjali; Abdeshahian, Peyman

    2015-01-01

    This research was performed based on a comparative study on fungal lipid production by a locally isolated strain Cunninghamella bainieri 2A1 in batch culture and repeated-batch culture using a nitrogen-limited medium. Lipid production in the batch culture was conducted to study the effect of different agitation rates on the simultaneous consumption of ammonium tartrate and glucose sources. Lipid production in the repeated-batch culture was studied by considering the effect of harvesting time and harvesting volume of the culture broth on the lipid accumulation. The batch cultivation was carried out in a 500 ml Erlenmeyer flask containing 200 ml of the fresh nitrogen-limited medium. Microbial culture was incubated at 30 °C under different agitation rates of 120, 180 and 250 rpm for 120 h. The repeated-batch culture was performed at three harvesting times of 12, 24 and 48 h using four harvesting cultures of 60%, 70%, 80% and 90%. Experimental results revealed that nitrogen source (ammonium tartrate) was fully utilized by C. bainieri 2A1 within 24 h in all agitation rates tested. It was also observed that a high amount of glucose in culture medium was consumed by C. bainieri 2A1 at 250 rpm agitation speed during the batch fermentation. Similar results showed that the highest lipid concentration of 2.96 g/L was obtained at an agitation rate of 250 rpm at 120 h cultivation time with the maximum lipid productivity of 7.0 × 10−2 mg/ml/h. On the other hand, experimental results showed that the highest lipid concentration produced in the repeated-batch culture was 3.30 g/L at the first cycle of 48 h harvesting time using 70% harvesting volume, while 0.23 g/L gamma-linolenic acid (GLA) was produced at the last cycle of 48 h harvesting time using 80% harvesting volume. PMID:26980997

  16. Short Contact Time Direct Coal Liquefactionn Using a Novel Batch Reactor. Quarterly Report. May 16 - August 15, 1996

    SciTech Connect

    He Huang; Michael T. Klein; William H. Calkins

    1996-08-30

    The objective of this research is to optimize the design and operation of the bench scale batch reactor (SCTBR) for studying direct coal liquefaction at short contact times (.01 to 10 minutes or longer). Additional objectives are to study the kinetics of direct coal liquefaction particularly at short reaction times and to investigate the role of organic oxygen components of coal and their reaction pathways during coal liquefaction. Many of those objectives have already been achieved. This quarterly report discusses further kinetic studies of the liquefaction of Illinois #6 bituminous coal, Wyodak-Anderson subbituminous coal, and Pittsburgh #8 bituminous coal. The thermodynamic characteristics of the extraction stage at the start of the liquefaction process in the liquefaction of Illinois #6 coal is also discussed. Further work has also been done to attempt to clarify the role of the liquefaction solvent in the direct liquefaction process.

  17. Adaptation to high throughput batch chromatography enhances multivariate screening.

    PubMed

    Barker, Gregory A; Calzada, Joseph; Herzer, Sibylle; Rieble, Siegfried

    2015-09-01

    High throughput process development offers unique approaches to explore complex process design spaces with relatively low material consumption. Batch chromatography is one technique that can be used to screen chromatographic conditions in a 96-well plate. Typical batch chromatography workflows examine variations in buffer conditions or comparison of multiple resins in a given process, as opposed to the assessment of protein loading conditions in combination with other factors. A modification to the batch chromatography paradigm is described here where experimental planning, programming, and a staggered loading approach increase the multivariate space that can be explored with a liquid handling system. The iterative batch chromatography (IBC) approach is described, which treats every well in a 96-well plate as an individual experiment, wherein protein loading conditions can be varied alongside other factors such as wash and elution buffer conditions. As all of these factors are explored in the same experiment, the interactions between them are characterized and the number of follow-up confirmatory experiments is reduced. This in turn improves statistical power and throughput. Two examples of the IBC method are shown and the impact of the load conditions are assessed in combination with the other factors explored.

  18. Batch Studies of Sodium Tetraphenylborate Decomposition on Reduced Palladium Catalyst

    SciTech Connect

    Barnes, M.J.

    2001-02-13

    In these batch experiments we obtained preliminary information on palladium based catalytic decomposition of sodium tetraphenylborate (NaTPB). These preliminary data provide necessary data to design subsequent catalytic decomposition experiments for NaTPB using a continuous stirred tank reactor (CSTR).

  19. Tier 3 batch system data locality via managed caches

    NASA Astrophysics Data System (ADS)

    Fischer, Max; Giffels, Manuel; Jung, Christopher; Kühn, Eileen; Quast, Günter

    2015-05-01

    Modern data processing increasingly relies on data locality for performance and scalability, whereas the common HEP approaches aim for uniform resource pools with minimal locality, recently even across site boundaries. To combine advantages of both, the High- Performance Data Analysis (HPDA) Tier 3 concept opportunistically establishes data locality via coordinated caches. In accordance with HEP Tier 3 activities, the design incorporates two major assumptions: First, only a fraction of data is accessed regularly and thus the deciding factor for overall throughput. Second, data access may fallback to non-local, making permanent local data availability an inefficient resource usage strategy. Based on this, the HPDA design generically extends available storage hierarchies into the batch system. Using the batch system itself for scheduling file locality, an array of independent caches on the worker nodes is dynamically populated with high-profile data. Cache state information is exposed to the batch system both for managing caches and scheduling jobs. As a result, users directly work with a regular, adequately sized storage system. However, their automated batch processes are presented with local replications of data whenever possible.

  20. Comparison of neptunium sorption results using batch and column techniques

    SciTech Connect

    Triay, I.R.; Furlano, A.C.; Weaver, S.C.; Chipera, S.J.; Bish, D.L.

    1996-08-01

    We used crushed-rock columns to study the sorption retardation of neptunium by zeolitic, devitrified, and vitric tuffs typical of those at the site of the potential high-level nuclear waste repository at Yucca Mountain, Nevada. We used two sodium bicarbonate waters (groundwater from Well J-13 at the site and water prepared to simulate groundwater from Well UE-25p No. 1) under oxidizing conditions. It was found that values of the sorption distribution coefficient, Kd, obtained from these column experiments under flowing conditions, regardless of the water or the water velocity used, agreed well with those obtained earlier from batch sorption experiments under static conditions. The batch sorption distribution coefficient can be used to predict the arrival time for neptunium eluted through the columns. On the other hand, the elution curves showed dispersivity, which implies that neptunium sorption in these tuffs may be nonlinear, irreversible, or noninstantaneous. As a result, use of a batch sorption distribution coefficient to calculate neptunium transport through Yucca Mountain tuffs would yield conservative values for neptunium release from the site. We also noted that neptunium (present as the anionic neptunyl carbonate complex) never eluted prior to tritiated water, which implies that charge exclusion does not appear to exclude neptunium from the tuff pores. The column experiments corroborated the trends observed in batch sorption experiments: neptunium sorption onto devitrified and vitric tuffs is minimal and sorption onto zeolitic tuffs decreases as the amount of sodium and bicarbonate/carbonate in the water increases.

  1. 21 CFR 80.38 - Treatment of batch after certification.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 1 2012-04-01 2012-04-01 false Treatment of batch after certification. 80.38 Section 80.38 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL... requesting certification shall maintain storage in such manner as to prevent change in composition until...

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

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 1 2014-04-01 2014-04-01 false Treatment of batch after certification. 80.38 Section 80.38 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL... requesting certification shall maintain storage in such manner as to prevent change in composition until...

  3. 21 CFR 80.38 - Treatment of batch after certification.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 1 2013-04-01 2013-04-01 false Treatment of batch after certification. 80.38 Section 80.38 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL... requesting certification shall maintain storage in such manner as to prevent change in composition until...

  4. Performance comparison of suspended bed and batch contactor chromatography.

    PubMed

    Quiñones-García, I; Rayner, I; Levison, P R; Dickson, N; Purdom, G

    2001-01-26

    In some applications, the purification and recovery of biomolecules is performed via a cascade of batch adsorption and desorption stages using agitated contactors and related filtration devices. Suspended bed chromatography is a recent process-scale innovation that is applicable to these separations. This hybrid technique exploits the benefits of combining batch adsorption in an agitated contactor with elution in an enclosed column system. To some extent, the process is similar to batch contactor chromatography but can be fully contained and significantly quicker. The process has two steps; first the fluid containing the sample is mixed with the adsorbent in a stirred tank. Second, the slurry suspension is transferred directly into a specialized column, such as an IsoPak column. The media with the adsorbed product is formed as a packed bed, whilst the suspension liquid is passed out of the column. The product is then eluted from the packed bed utilizing standard column-chromatography techniques. The performance of the suspended bed and the agitated contactor operations are demonstrated both by full-scale experimental results and process simulations. The purification of ovalbumin from a hen-egg white feedstock by anion-exchange chromatography was used as a case study in order to prove the concept. With the availability of both pump-packed systems and shear-resistant media, suspended bed chromatography is a better alternative for a range of applications than the traditional batch separations using agitated contactors. PMID:11218119

  5. Biosorption of uranium by melanin: kinetic, equilibrium and thermodynamic studies.

    PubMed

    Saini, Amardeep Singh; Melo, Jose Savio

    2013-12-01

    Limitation of conventional techniques for the removal of heavy metals present at low concentrations, has led to the need for developing alternate technologies like biosorption. In the present study we describe the use of melanin pigment synthesized through green technology, for sorption of uranium from aqueous system. Biosynthesized melanin showed good uptake over a broad pH range. Removal of uranium was rapid and equilibrium was reached within 2h of contact. It was observed that the kinetic data fits well into Lagergren's pseudo-second order equation. A maximum loading capacity of 588.24 mg g(-1) was calculated from Langmuir plot. Thermodynamic studies performed revealed that sorption process was favorable. Binding of uranium on the surface of melanin was confirmed by FT-IR and energy dispersive spectroscopy (EDS). Thus, biosynthesized melanin can be efficiently used as a sorbent for removal of uranium from aqueous solution. PMID:24099972

  6. Thermodynamics and Kinetics of Phase Transformations in Hydrogen Storage Materials

    SciTech Connect

    Ceder, Gerbrand; Marzari, Nicola

    2011-08-31

    The aim of this project is to develop and apply computational materials science tools to determine and predict critical properties of hydrogen storage materials. By better understanding the absorption/desorption mechanisms and characterizing their physical properties it is possible to explore and evaluate new directions for hydrogen storage materials. Particular emphasis is on the determination of the structure and thermodynamics of hydrogen storage materials, the investigation of microscopic mechanisms of hydrogen uptake and release in various materials and the role of catalysts in this process. As a team we have decided to focus on a single material, NaAlH{sub 4}, in order to fully be able to study the many aspects of hydrogen storage. We have focused on phase stability, mass transport and size-dependent reaction mechanisms in this material.

  7. Dynamic simulation and nonlinear control of a rigorous batch reactive distillation.

    PubMed

    Kathel, Prateek; Jana, Amiya K

    2010-01-01

    This work deals with the dynamics and control of a high-purity batch distillation column with chemical reaction. A heterogeneous esterification reaction between the acetic acid and butanol takes place to produce butyl acetate. The process model is formulated considering variable liquid holdup, UNIQUAC model for thermodynamic property predictions, nonlinear Francis weir formula for tray hydraulics, pseudohomogeneous model to represent the reaction kinetics and rigorous energy balance. A structured and simple iterative approach is devised to compute the vapor flows with the fast convergence, under the rigorous energy balance. The representative column is treated with a distillate policy based on which, the lightest product, water is removed as distillate at the starting of production phase. As a consequence, the column gets progressively richer with the main product, butyl acetate. In addition, almost complete conversion of the limiting reactant is achieved. In order to maintain the product purity at the top, a nonlinear generic model controller (GMC) in two different forms has been proposed. Finally, a comparative closed-loop performance is addressed. It is shown that the control scheme, along with the effective distillate strategy, leads to almost complete conversion of ingredients and high-purity products. PMID:19815199

  8. Dynamic simulation and nonlinear control of a rigorous batch reactive distillation.

    PubMed

    Kathel, Prateek; Jana, Amiya K

    2010-01-01

    This work deals with the dynamics and control of a high-purity batch distillation column with chemical reaction. A heterogeneous esterification reaction between the acetic acid and butanol takes place to produce butyl acetate. The process model is formulated considering variable liquid holdup, UNIQUAC model for thermodynamic property predictions, nonlinear Francis weir formula for tray hydraulics, pseudohomogeneous model to represent the reaction kinetics and rigorous energy balance. A structured and simple iterative approach is devised to compute the vapor flows with the fast convergence, under the rigorous energy balance. The representative column is treated with a distillate policy based on which, the lightest product, water is removed as distillate at the starting of production phase. As a consequence, the column gets progressively richer with the main product, butyl acetate. In addition, almost complete conversion of the limiting reactant is achieved. In order to maintain the product purity at the top, a nonlinear generic model controller (GMC) in two different forms has been proposed. Finally, a comparative closed-loop performance is addressed. It is shown that the control scheme, along with the effective distillate strategy, leads to almost complete conversion of ingredients and high-purity products.

  9. Biosorption of lead from aqueous solution by Ficus religiosa leaves: batch and column study.

    PubMed

    Qaiser, Suleman; Saleemi, Anwar Rasheed; Umar, Muhammad

    2009-07-30

    The biosorption of lead by Ficus religiosa leaves (FRLs) in powder and immobilized form was investigated. Batch experiments were conducted to determine the biosorption capacity, equilibrium time, optimal pH and temperature. The maximum biosorption capacity of lead was 37.45 mg g(-1) at optimal pH of 4. The temperature change in the range of 20-40 degrees C affected the biosorption capacity and the maximum removal was observed at 25 degrees C. The thermodynamics parameters were determined from experimental data. The Langmuir and Freundlich models were used to explain the equilibrium data. The Langmuir model showed better fit of data with correlation coefficient of 0.97. The kinetics of biosorption followed pseudo second order model. For continuous biosorption experiments, FRLs biomass was immobilized in polysulfone matrix. Breakthrough curves were analyzed at different flow rates, pH and bed depth. Bed depth service time (BDST) and the Thomas models were used to describe the experimental data. A solution of 0.05 M HNO(3) did well to elute lead from biomass. The release of Ca, Mg and Na ions during lead biosorption revealed that ion exchange was the major removal mechanism. PMID:19147289

  10. Thermodynamic Studies for Drug Design and Screening

    PubMed Central

    Garbett, Nichola C.; Chaires, Jonathan B.

    2012-01-01

    Introduction A key part of drug design and development is the optimization of molecular interactions between an engineered drug candidate and its binding target. Thermodynamic characterization provides information about the balance of energetic forces driving binding interactions and is essential for understanding and optimizing molecular interactions. Areas covered This review discusses the information that can be obtained from thermodynamic measurements and how this can be applied to the drug development process. Current approaches for the measurement and optimization of thermodynamic parameters are presented, specifically higher throughput and calorimetric methods. Relevant literature for this review was identified in part by bibliographic searches for the period 2004 – 2011 using the Science Citation Index and PUBMED and the keywords listed below. Expert opinion The most effective drug design and development platform comes from an integrated process utilizing all available information from structural, thermodynamic and biological studies. Continuing evolution in our understanding of the energetic basis of molecular interactions and advances in thermodynamic methods for widespread application are essential to realize the goal of thermodynamically-driven drug design. Comprehensive thermodynamic evaluation is vital early in the drug development process to speed drug development towards an optimal energetic interaction profile while retaining good pharmacological properties. Practical thermodynamic approaches, such as enthalpic optimization, thermodynamic optimization plots and the enthalpic efficiency index, have now matured to provide proven utility in design process. Improved throughput in calorimetric methods remains essential for even greater integration of thermodynamics into drug design. PMID:22458502

  11. Looking for Waldo: A Potential Thermodynamic Signature to DNA Damage

    PubMed Central

    2015-01-01

    Conspectus DNA in its simplest form is an ensemble of nucleic acids, water, and ions, and the conformation of DNA is dependent on the relative proportions of all three components. When DNA is covalently damaged by endogenous or exogenous reactive species, including those produced by some anticancer drugs, the ensemble undergoes localized changes that affect nucleic acid structure, thermodynamic stability, and the qualitative and quantative arrangement of associated cations and water molecules. Fortunately, the biological effects of low levels of DNA damage are successfully mitigated by a large number of proteins that efficiently recognize and repair DNA damage in the midst of a vast excess of canonical DNA. In this Account, we explore the impact of DNA modifications on the high resolution and dynamic structure of DNA, DNA stability, and the uptake of ions and water and explore how these changes may be sensed by proteins whose function is to initially locate DNA lesions. We discuss modifications on the nucleobases that are located in the major and minor grooves of DNA and include lesions that are observed in vivo, including oxidized bases, as well as some synthetic nucleobases that allow us to probe how the location and nature of different substituents affect the thermodynamics and structure of the DNA ensemble. It is demonstrated that disruption of a cation binding site in the major groove by modification of the N7-position on the purines, which is the major site for DNA alkylation, is enthalpically destabilizing. Accordingly, tethering a cationic charge in the major groove is enthalpically stabilizing. The combined structural and thermodynamic studies provide a detailed picture of how different DNA lesions affect the dynamics of DNA and how modified bases interact with their environment. Our work supports the hypothesis that there is a “thermodynamic signature” to DNA lesions that can be exploited in the initial search that requires differentiation between

  12. Batch and continuous (fixed-bed column) biosorption of crystal violet by Artocarpus heterophyllus (jackfruit) leaf powder.

    PubMed

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

    2012-04-01

    In this study, batch and fixed-bed column experiments were performed to investigate the biosorption potential of Artocarpus heterophyllus (jackfruit) leaf powder (JLP) to remove crystal violet (CV) from aqueous solutions. Batch biosorption studies were carried out as a function of solution pH, contact time, initial dye concentration and temperature. The biosorption equilibrium data showed excellent fit to the Langmuir isotherm model with maximum monolayer biosorption capacity of 43.39 mg g(-1) at pH 7.0, initial dye concentration=50 mg L(-1), temperature=293 K and contact time=120 min. According to Dubinin-Radushkevich (D-R) isotherm model, biosorption of CV by JLP was chemisorption. The biosorption kinetics followed the pseudo-second-order kinetic model. Thermodynamic analysis revealed that biosorption of CV from aqueous solution by JLP was a spontaneous and exothermic process. In order to ascertain the practical applicability of the biosorbent, fixed-bed column studies were also performed. The breakthrough time increased with increasing bed height and decreased with increasing flow rate. The Thomas model as well as the BDST model showed good agreement with the experimental results at all the process parameters studied. It can be concluded that JLP is a promising biosorbent for removal of CV from aqueous solutions.

  13. Glucoamylase production in batch, chemostat and fed-batch cultivations by an industrial strain of Aspergillus niger.

    PubMed

    Pedersen, H; Beyer, M; Nielsen, J

    2000-03-01

    The Aspergillus niger strain BO-1 was grown in batch, continuous (chemostat) and fed-batch cultivations in order to study the production of the extracellular enzyme glucoamylase under different growth conditions. In the pH range 2.5-6.0, the specific glucoamylase productivity and the specific growth rate of the fungus were independent of pH when grown in batch cultivations. The specific glucoamylase productivity increased linearly with the specific growth rate in the range 0-0.1 h(-1) and was constant in the range 0.1-0.2 h(-1). Maltose and maltodextrin were non-inducing carbon sources compared to glucose, and the maximum specific growth rate was 0.19 +/- 0.02 h(-1) irrespective of whether glucose or maltose was the carbon source. In fed-batch cultivations, glucoamylase titres of up to 6.5 g l(-1) were obtained even though the strain contained only one copy of the glaA gene.

  14. Pulmonary uptake of morphine (M)

    SciTech Connect

    Roerig, D.L.; Bunke, S.S.; Kotrly, K.J.; Dawson, C.A.; Kampine, J.P.

    1986-03-01

    Previously the authors reported less than 5% of M was taken up during the first pass through the human lung. The low uptake of this basic lipophilic amine was further investigated in a single pass isolated perfused rat lung (IPL) in comparison to uptake of radiolabelled H/sub 2/O, antipyrine (A), aminopyrine (AM), nicotine (N) and phenylethylamine (P). The IPL was perfused for 5 min with each drug (5nmol/ml) and effluent collected in 10 sec fractions. Pulmonary extraction was calculated using indocyanine green dye as a non-extractable reference indicator. Accumulation of all compounds in the IPL reached an apparent equilibrium within 4 min. At equilibrium lung/perfusate conc. ratios for H/sub 2/O, A, AM, N, P and M were 1.04, 0.84, 0.85, 1.44, 2.57 and 1.13 respectively. The time course of M uptake differed from the other compounds since initial extraction of M was low (23%) compared to 75%, 53%, 35%, 82% and 86% for H/sub 2/O, A, AM, N and P respectively. Also, the half time to equilibrium for M was longer (50 sec) compared to 18, 21, 26, 19 and 22 sec for H/sub 2/O, A, AM, N and P respectively. The low initial pulmonary extraction of M compared to these compounds followed by greater M extraction during the remainder of drug infusion suggests uptake mechanisms for M different than the flow limited uptake for water and other basic amine drugs.

  15. Removal of Nitrate from Groundwater by Cyanobacteria: Quantitative Assessment of Factors Influencing Nitrate Uptake

    PubMed Central

    Hu, Qiang; Westerhoff, Paul; Vermaas, Wim

    2000-01-01

    The feasibility of biologically removing nitrate from groundwater was tested by using cyanobacterial cultures in batch mode under laboratory conditions. Results demonstrated that nitrate-contaminated groundwater, when supplemented with phosphate and some trace elements, can be used as growth medium supporting vigorous growth of several strains of cyanobacteria. As cyanobacteria grew, nitrate was removed from the water. Of three species tested, Synechococcus sp. strain PCC 7942 displayed the highest nitrate uptake rate, but all species showed rapid removal of nitrate from groundwater. The nitrate uptake rate increased proportionally with increasing light intensity up to 100 μmol of photons m−2 s−1, which parallels photosynthetic activity. The nitrate uptake rate was affected by inoculum size (i.e., cell density), fixed-nitrogen level in the cells in the inoculum, and aeration rate, with vigorously aerated, nitrate-sufficient cells in mid-logarithmic phase having the highest long-term nitrate uptake rate. Average nitrate uptake rates up to 0.05 mM NO3− h−1 could be achieved at a culture optical density at 730 nm of 0.5 to 1.0 over a 2-day culture period. This result compares favorably with those reported for nitrate removal by other cyanobacteria and algae, and therefore effective nitrate removal from groundwater using this organism could be anticipated on large-scale operations. PMID:10618214

  16. Thermodynamics of random reaction networks.

    PubMed

    Fischer, Jakob; Kleidon, Axel; Dittrich, Peter

    2015-01-01

    Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha) and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks.

  17. Thermodynamics of random reaction networks.

    PubMed

    Fischer, Jakob; Kleidon, Axel; Dittrich, Peter

    2015-01-01

    Reaction networks are useful for analyzing reaction systems occurring in chemistry, systems biology, or Earth system science. Despite the importance of thermodynamic disequilibrium for many of those systems, the general thermodynamic properties of reaction networks are poorly understood. To circumvent the problem of sparse thermodynamic data, we generate artificial reaction networks and investigate their non-equilibrium steady state for various boundary fluxes. We generate linear and nonlinear networks using four different complex network models (Erdős-Rényi, Barabási-Albert, Watts-Strogatz, Pan-Sinha) and compare their topological properties with real reaction networks. For similar boundary conditions the steady state flow through the linear networks is about one order of magnitude higher than the flow through comparable nonlinear networks. In all networks, the flow decreases with the distance between the inflow and outflow boundary species, with Watts-Strogatz networks showing a significantly smaller slope compared to the three other network types. The distribution of entropy production of the individual reactions inside the network follows a power law in the intermediate region with an exponent of circa -1.5 for linear and -1.66 for nonlinear networks. An elevated entropy production rate is found in reactions associated with weakly connected species. This effect is stronger in nonlinear networks than in the linear ones. Increasing the flow through the nonlinear networks also increases the number of cycles and leads to a narrower distribution of chemical potentials. We conclude that the relation between distribution of dissipation, network topology and strength of disequilibrium is nontrivial and can be studied systematically by artificial reaction networks. PMID:25723751

  18. Thermodynamic laws in isolated systems.

    PubMed

    Hilbert, Stefan; Hänggi, Peter; Dunkel, Jörn

    2014-12-01

    The recent experimental realization of exotic matter states in isolated quantum systems and the ensuing controversy about the existence of negative absolute temperatures demand a careful analysis of the conceptual foundations underlying microcanonical thermostatistics. Here we provide a detailed comparison of the most commonly considered microcanonical entropy definitions, focusing specifically on whether they satisfy or violate the zeroth, first, and second laws of thermodynamics. Our analysis shows that, for a broad class of systems that includes all standard classical Hamiltonian systems, only the Gibbs volume entropy fulfills all three laws simultaneously. To avoid ambiguities, the discussion is restricted to exact results and analytically tractable examples.

  19. Some problems in relativistic thermodynamics

    SciTech Connect

    Veitsman, E. V.

    2007-11-15

    The relativistic equations of state for ideal and real gases, as well as for various interface regions, have been derived. These dependences help to eliminate some controversies in the relativistic thermodynamics based on the special theory of relativity. It is shown, in particular, that the temperature of system whose velocity tends to the velocity of light in vacuum varies in accordance with the Ott law T = T{sub 0}/{radical}1 - v{sup 2}/c{sup 2}. Relativistic dependences for heat and mass transfer, for Ohm's law, and for a viscous flow of a liquid have also been derived.

  20. Thermodynamics of Lifshitz black holes

    NASA Astrophysics Data System (ADS)

    Devecioǧlu, Deniz Olgu; Sarıoǧlu, Özgür

    2011-06-01

    We apply the recently extended conserved Killing charge definition of Abbott-Deser-Tekin formalism to compute, for the first time, the energies of analytic Lifshitz black holes in higher dimensions. We then calculate the temperature and the entropy of this large family of solutions, and study and discuss the first law of black hole thermodynamics. Along the way we also identify the possible critical points of the relevant quadratic curvature gravity theories. Separately, we also apply the generalized Killing charge definition to compute the energy and the angular momentum of the warped AdS3 black hole solution of the three-dimensional new massive gravity theory.

  1. Thermodynamic Properties of Supported Catalysts

    SciTech Connect

    Gorte, Raymond J.

    2014-03-26

    The goals of this work were to develop Coulometric Titration as a method for characterizing the thermodynamic redox properties of oxides and to apply this technique to the characterization of ceria- and vanadia-based catalysts. The redox properties of ceria and vanadia are a major part of what makes these materials catalytically active but their properties are also dependent on their structure and the presence of other oxides. Quantifying these properties through the measurement of oxidation energetics was the goal of this work.

  2. Statistical thermodynamics of soft surfaces

    NASA Astrophysics Data System (ADS)

    Safran, S. A.

    2002-03-01

    We review the continuum, statistical thermodynamics of surfaces and interfaces in soft matter where both the energy and entropy of the surface are comparable. These systems include complex fluids that are dominated by either surface tension or the interfacial curvature, such as: fluid and solid interfaces, colloidal dispersions, macromolecular solutions, membranes, and other self-assembling aggregates such as micelles, vesicles, and microemulsions. The primary focus is on the theoretical concepts, their universality, and the role of fluctuations and inhomogeneities with connections to relevant experimental systems.

  3. Thermodynamic laws in isolated systems.

    PubMed

    Hilbert, Stefan; Hänggi, Peter; Dunkel, Jörn

    2014-12-01

    The recent experimental realization of exotic matter states in isolated quantum systems and the ensuing controversy about the existence of negative absolute temperatures demand a careful analysis of the conceptual foundations underlying microcanonical thermostatistics. Here we provide a detailed comparison of the most commonly considered microcanonical entropy definitions, focusing specifically on whether they satisfy or violate the zeroth, first, and second laws of thermodynamics. Our analysis shows that, for a broad class of systems that includes all standard classical Hamiltonian systems, only the Gibbs volume entropy fulfills all three laws simultaneously. To avoid ambiguities, the discussion is restricted to exact results and analytically tractable examples. PMID:25615053

  4. Thermodynamic studies on lithium ferrites

    SciTech Connect

    Rakshit, S.K.; Parida, S.C.; Naik, Y.P.; Chaudhary, Ziley Singh; Venugopal, V.

    2011-05-15

    Thermodynamic studies on ternary oxides of Li-Fe-O systems were carried out using differential scanning calorimetry, Knudsen effusion mass spectrometry, and solid-state electrochemical technique based on fluoride electrolyte. Heat capacities of LiFe{sub 5}O{sub 8}(s) and LiFeO{sub 2}(s) were determined in the temperature range 127-861 K using differential scanning calorimetry. Gibbs energies of formation of LiFe{sub 5}O{sub 8}(s) and LiFeO{sub 2}(s) were determined using Knudsen effusion mass spectrometry and solid-state galvanic cell technique. The combined least squares fits can be represented as {Delta}{sub f}G{sub m}{sup o}(LiFe{sub 5}O{sub 8},s,T)/kJ mol{sup -1} ({+-}6)=-2341+0.6764(T/K) (588{<=}T/K{<=}971) {Delta}{sub f}G{sub m}{sup o}(LiFeO{sub 2},s,T)/kJ mol{sup -1} ({+-}3)=-708+0.1656(T/K) (569{<=}T/K{<=}1021) The temperature independent term of the above equations represents {Delta}{sub f}H{sup o}{sub m}(T{sub av}) and temperature dependent term represents negative change in entropy of the respective compounds. Thermodynamic analysis shows that LiFe{sub 5}O{sub 8}(s) is more stable compared to LiFeO{sub 2}(s). -- Graphical abstract: Comparison of {Delta}{sub f}G{sub m}{sup o}(T) of lithium ferrites determined using different techniques. Display Omitted Highlights: {yields} Thermodynamic studies on Li-Fe-O system using DSC, KEQMS and galvanic cell. {yields} Heat capacities of LiFe{sub 5}O{sub 8}(s) and LiFeO{sub 2}(s) were determined using DSC 127-861 K. {yields} {Delta}{sub f}G{sup o}{sub m} of these compounds were determined and compared. {yields} Thermodynamic tables for LiFe{sub 5}O{sub 8}(s) and LiFeO{sub 2}(s) were constructed.

  5. The Solubilities and Thermodynamic Equilibrium of Anhydrite and Gypsum

    NASA Astrophysics Data System (ADS)

    Serafeimidis, K.; Anagnostou, G.

    2015-01-01

    Anhydritic claystones consist of a clay matrix with finely distributed anhydrite. Their swelling has led to severe damage and high repair costs in several tunnels. Gypsum growth combined with water uptake by the clay minerals is the main cause of the swelling process. Identifying the conditions under which gypsum rather than anhydrite represents the stable phase is crucial for understanding rock swelling. As existing studies on the anhydrite-gypsum-water equilibrium appear to be contradictory and do not provide all of the information required, we revisit this classic problem here by formulating and studying a thermodynamic model. In contrast to earlier research, our model is not limited to the anhydrite-gypsum equilibrium, but allows for the determination of the equilibrium concentrations of the individual anhydrite dissolution and gypsum precipitation reactions that underlie the sulphate transformation. The results of the paper are, therefore, also valuable for the formulation of comprehensive sulphate-water interaction models that consider diffusive and advective ion transport simultaneously with the chemical dissolution and precipitation reactions. Furthermore, in addition to the influencing factors that have been considered by previous studies (i.e., fluid and solid pressures, concentration of foreign ions, temperature), we consistently incorporate the effect of the surface energy of the sulphate crystals into the thermodynamic equations and discuss the effect of the clay minerals on the equilibrium conditions. The surface energy effects, which are important particularly in the case of claystones with extremely small pores, increase the solubility of gypsum, thus shifting the thermodynamic equilibrium in favour of anhydrite. Clay minerals also favour anhydrite because they lower the activity of the water. The predictions from the model are compared with experimental results and with predictions from other models in the literature. Finally, a comprehensive

  6. Thermodynamics of Enzyme-Catalyzed Reactions Database

    National Institute of Standards and Technology Data Gateway

    SRD 74 Thermodynamics of Enzyme-Catalyzed Reactions Database (Web, free access)   The Thermodynamics of Enzyme-Catalyzed Reactions Database contains thermodynamic data on enzyme-catalyzed reactions that have been recently published in the Journal of Physical and Chemical Reference Data (JPCRD). For each reaction the following information is provided: the reference for the data, the reaction studied, the name of the enzyme used and its Enzyme Commission number, the method of measurement, the data and an evaluation thereof.

  7. Irreversible thermodynamics of Poisson processes with reaction.

    PubMed

    Méndez, V; Fort, J

    1999-11-01

    A kinetic model is derived to study the successive movements of particles, described by a Poisson process, as well as their generation. The irreversible thermodynamics of this system is also studied from the kinetic model. This makes it possible to evaluate the differences between thermodynamical quantities computed exactly and up to second-order. Such differences determine the range of validity of the second-order approximation to extended irreversible thermodynamics.

  8. Irreversible thermodynamics of Poisson processes with reaction

    NASA Astrophysics Data System (ADS)

    Méndez, Vicenç; Fort, Joaquim

    1999-11-01

    A kinetic model is derived to study the successive movements of particles, described by a Poisson process, as well as their generation. The irreversible thermodynamics of this system is also studied from the kinetic model. This makes it possible to evaluate the differences between thermodynamical quantities computed exactly and up to second-order. Such differences determine the range of validity of the second-order approximation to extended irreversible thermodynamics.

  9. Quantum thermodynamics: a nonequilibrium Green's function approach.

    PubMed

    Esposito, Massimiliano; Ochoa, Maicol A; Galperin, Michael

    2015-02-27

    We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green's functions. The energy of the system and its coupling to the reservoirs are controlled by a slow external time-dependent force treated to first order beyond the quasistatic limit. We derive the four basic laws of thermodynamics and characterize reversible transformations. Stochastic thermodynamics is recovered in the weak coupling limit. PMID:25768745

  10. Coherence and measurement in quantum thermodynamics

    NASA Astrophysics Data System (ADS)

    Kammerlander, P.; Anders, J.

    2016-02-01

    Thermodynamics is a highly successful macroscopic theory widely used across the natural sciences and for the construction of everyday devices, from car engines to solar cells. With thermodynamics predating quantum theory, research now aims to uncover the thermodynamic laws that govern finite size systems which may in addition host quantum effects. Recent theoretical breakthroughs include the characterisation of the efficiency of quantum thermal engines, the extension of classical non-equilibrium fluctuation theorems to the quantum regime and a new thermodynamic resource theory has led to the discovery of a set of second laws for finite size systems. These results have substantially advanced our understanding of nanoscale thermodynamics, however putting a finger on what is genuinely quantum in quantum thermodynamics has remained a challenge. Here we identify information processing tasks, the so-called projections, that can only be formulated within the framework of quantum mechanics. We show that the physical realisation of such projections can come with a non-trivial thermodynamic work only for quantum states with coherences. This contrasts with information erasure, first investigated by Landauer, for which a thermodynamic work cost applies for classical and quantum erasure alike. Repercussions on quantum work fluctuation relations and thermodynamic single-shot approaches are also discussed.

  11. Classical Solution Thermodynamics: A Retrospective View.

    ERIC Educational Resources Information Center

    Van Ness, H. C.; Abbott, M. M.

    1985-01-01

    Examines topics related to classical solution thermodynamics, considering energy, enthalpy, and the Gibbs function. Applicable mathematical equations are introduced and discussed when appropriate. (JN)

  12. Coherence and measurement in quantum thermodynamics.

    PubMed

    Kammerlander, P; Anders, J

    2016-02-26

    Thermodynamics is a highly successful macroscopic theory widely used across the natural sciences and for the construction of everyday devices, from car engines to solar cells. With thermodynamics predating quantum theory, research now aims to uncover the thermodynamic laws that govern finite size systems which may in addition host quantum effects. Recent theoretical breakthroughs include the characterisation of the efficiency of quantum thermal engines, the extension of classical non-equilibrium fluctuation theorems to the quantum regime and a new thermodynamic resource theory has led to the discovery of a set of second laws for finite size systems. These results have substantially advanced our understanding of nanoscale thermodynamics, however putting a finger on what is genuinely quantum in quantum thermodynamics has remained a challenge. Here we identify information processing tasks, the so-called projections, that can only be formulated within the framework of quantum mechanics. We show that the physical realisation of such projections can come with a non-trivial thermodynamic work only for quantum states with coherences. This contrasts with information erasure, first investigated by Landauer, for which a thermodynamic work cost applies for classical and quantum erasure alike. Repercussions on quantum work fluctuation relations and thermodynamic single-shot approaches are also discussed.

  13. Coherence and measurement in quantum thermodynamics.

    PubMed

    Kammerlander, P; Anders, J

    2016-01-01

    Thermodynamics is a highly successful macroscopic theory widely used across the natural sciences and for the construction of everyday devices, from car engines to solar cells. With thermodynamics predating quantum theory, research now aims to uncover the thermodynamic laws that govern finite size systems which may in addition host quantum effects. Recent theoretical breakthroughs include the characterisation of the efficiency of quantum thermal engines, the extension of classical non-equilibrium fluctuation theorems to the quantum regime and a new thermodynamic resource theory has led to the discovery of a set of second laws for finite size systems. These results have substantially advanced our understanding of nanoscale thermodynamics, however putting a finger on what is genuinely quantum in quantum thermodynamics has remained a challenge. Here we identify information processing tasks, the so-called projections, that can only be formulated within the framework of quantum mechanics. We show that the physical realisation of such projections can come with a non-trivial thermodynamic work only for quantum states with coherences. This contrasts with information erasure, first investigated by Landauer, for which a thermodynamic work cost applies for classical and quantum erasure alike. Repercussions on quantum work fluctuation relations and thermodynamic single-shot approaches are also discussed. PMID:26916503

  14. Coherence and measurement in quantum thermodynamics

    PubMed Central

    Kammerlander, P.; Anders, J.

    2016-01-01

    Thermodynamics is a highly successful macroscopic theory widely used across the natural sciences and for the construction of everyday devices, from car engines to solar cells. With thermodynamics predating quantum theory, research now aims to uncover the thermodynamic laws that govern finite size systems which may in addition host quantum effects. Recent theoretical breakthroughs include the characterisation of the efficiency of quantum thermal engines, the extension of classical non-equilibrium fluctuation theorems to the quantum regime and a new thermodynamic resource theory has led to the discovery of a set of second laws for finite size systems. These results have substantially advanced our understanding of nanoscale thermodynamics, however putting a finger on what is genuinely quantum in quantum thermodynamics has remained a challenge. Here we identify information processing tasks, the so-called projections, that can only be formulated within the framework of quantum mechanics. We show that the physical realisation of such projections can come with a non-trivial thermodynamic work only for quantum states with coherences. This contrasts with information erasure, first investigated by Landauer, for which a thermodynamic work cost applies for classical and quantum erasure alike. Repercussions on quantum work fluctuation relations and thermodynamic single-shot approaches are also discussed. PMID:26916503

  15. Stochastic deformation of a thermodynamic symplectic structure.

    PubMed

    Kazinski, P O

    2009-01-01

    A stochastic deformation of a thermodynamic symplectic structure is studied. The stochastic deformation is analogous to the deformation of an algebra of observables such as deformation quantization, but for an imaginary deformation parameter (the Planck constant). Gauge symmetries of thermodynamics and corresponding stochastic mechanics, which describes fluctuations of a thermodynamic system, are revealed and gauge fields are introduced. A physical interpretation to the gauge transformations and gauge fields is given. An application of the formalism to a description of systems with distributed parameters in a local thermodynamic equilibrium is considered.

  16. Stochastic deformation of a thermodynamic symplectic structure

    NASA Astrophysics Data System (ADS)

    Kazinski, P. O.

    2009-01-01

    A stochastic deformation of a thermodynamic symplectic structure is studied. The stochastic deformation is analogous to the deformation of an algebra of observables such as deformation quantization, but for an imaginary deformation parameter (the Planck constant). Gauge symmetries of thermodynamics and corresponding stochastic mechanics, which describes fluctuations of a thermodynamic system, are revealed and gauge fields are introduced. A physical interpretation to the gauge transformations and gauge fields is given. An application of the formalism to a description of systems with distributed parameters in a local thermodynamic equilibrium is considered.

  17. Thermodynamics of reformulated automotive fuels

    SciTech Connect

    Zudkevitch, D.; Murthy, A.K.S.; Gmehling, J.

    1995-06-01

    Two methods for predicting Reid vapor pressure (Rvp) and initial vapor emissions of reformulated gasoline blends that contain one or more oxygenated compounds show excellent agreement with experimental data. In the first method, method A, D-86 distillation data for gasoline blends are used for predicting Rvp from a simulation of the mini dry vapor pressure equivalent (Dvpe) experiment. The other method, method B, relies on analytical information (PIANO analyses) of the base gasoline and uses classical thermodynamics for simulating the same Rvp equivalent (Rvpe) mini experiment. Method B also predicts composition and other properties for the fuel`s initial vapor emission. Method B, although complex, is more useful in that is can predict properties of blends without a D-86 distillation. An important aspect of method B is its capability to predict composition of initial vapor emissions from gasoline blends. Thus, it offers a powerful tool to planners of gasoline blending. Method B uses theoretically sound formulas, rigorous thermodynamic routines and uses data and correlations of physical properties that are in the public domain. Results indicate that predictions made with both methods agree very well with experimental values of Dvpe. Computer simulation methods were programmed and tested.

  18. Thermodynamic indicators for environmental certification.

    PubMed

    Panzieri, Margherita; Porcelli, Marcello; Pulselli, Federico Maria

    2002-09-01

    The Earth is an open thermodynamic system, that remains in a steady state far from the equilibrium, through energy and matter exchanges with the surrounding environment. These natural constraints, which prevent the system from maximizing its entropy, are threatened by human action and our ecosystem needs urgent protection. In this viewpoint the environmental certification was born, according to international standards ISO 14001, ISO 14040, and European Regulation EMAS. These are voluntary adhesions to a program of environmental protection by companies, administrations and organizations which, starting from the respect of the existing environmental laws and regulations, decide to further improve their environmental performance. To obtain and maintain certification of a system is necessary to apply some indicators to evaluate its environmental performance and to demonstrate its progressive improvement. Here we propose to use for this purpose the thermodynamic indicators produced from energy analysis by Odum. The case study is Montalcino city (Italy) and energy indicators are used to evaluate environmental performance of this system where exist different activities, from agricultural productions, to tourism. Results show that energy analysis could become a valid standard monitoring method for environmental certification, especially in consideration of its wide application field.

  19. Thermodynamic properties of triphenylantimony dibenzoate

    NASA Astrophysics Data System (ADS)

    Markin, A. V.; Smirnova, N. N.; Lyakaev, D. V.; Klimova, M. N.; Sharutin, V. V.; Sharutina, O. K.

    2016-10-01

    The temperature dependence of the heat capacity of triphenylantimony dibenzoate Ph3Sb(OC(O)Ph)2 is studied in the range of 6-480 K by means of precision adiabatic vacuum calorimetry and differential scanning calorimetry. The melting of the compound is observed in this temperature range, and its standard thermodynamic characteristics are identified and analyzed. Ph3Sb(OC(O)Ph)2 is obtained in a metastable amorphous state in a calorimeter. The standard thermodynamic functions of Ph3Sb(OC(O)Ph)2 in the crystalline and liquid states are calculated from the obtained experimental data: C p ° ( T), H°( T)- H°(0), S°( T), and G°(T)- H°(0) for the region from T → 0 to 480 K. The standard entropy of formation of the compound in the crystalline state at T = 298.15 K is determined. Multifractal processing of the low-temperature ( T < 50 K) heat capacity of the compound is performed. It is concluded that the structure of the compound has a planar chain topology.

  20. Thermodynamic States in Explosion Fields

    SciTech Connect

    Kuhl, A L

    2009-10-16

    Here we investigate the thermodynamic states occurring in explosion fields from the detonation of condensed explosives in air. In typical applications, the pressure of expanded detonation products gases is modeled by a Jones-Wilkins-Lee (JWL) function: P{sub JWL} = f(v,s{sub CJ}); constants in that function are fit to cylinder test data. This function provides a specification of pressure as a function of specific volume, v, along the expansion isentrope (s = constant = s{sub CJ}) starting at the Chapman-Jouguet (CJ) state. However, the JWL function is not a fundamental equation of thermodynamics, and therefore gives an incomplete specification of states. For example, explosions inherently involve shock reflections from surfaces; this changes the entropy of the products, and in such situations the JWL function provides no information on the products states. In addition, most explosives are not oxygen balanced, so if hot detonation products mix with air, they after-burn, releasing the heat of reaction via a turbulent combustion process. This raises the temperature of explosion products cloud to the adiabatic flame temperature ({approx}3,000K). Again, the JWL function provides no information on the combustion products states.

  1. Phase transition thermodynamics of bisphenols.

    PubMed

    Costa, José C S; Dávalos, Juan Z; Santos, Luís M N B F

    2014-10-16

    Herein we have studied, presented, and analyzed the phase equilibria thermodynamics of a bisphenols (BP-A, BP-E, BP-F, BP-AP, and BP-S) series. In particular, the heat capacities, melting temperatures, and vapor pressures at different temperatures as well as the standard enthalpies, entropies, and Gibbs energies of phase transition (fusion and sublimation) were experimentally determined. Also, we have presented the phase diagrams of each bisphenol derivative and investigated the key parameters related to the thermodynamic stability of the condensed phases. When all the bisphenol derivatives are compared at the same conditions, solids BP-AP and BP-S present lower volatilities (higher Gibbs energy of sublimation) and high melting temperatures due to the higher stability of their solid phases. Solids BP-A and BP-F present similar stabilities, whereas BP-E is more volatile. The introduction of -CH3 groups in BP-F (giving BP-E and BP-A) leads an entropic differentiation in the solid phase, whereas in the isotropic liquids the enthalpic and entropic differentiations are negligible.

  2. Thermodynamic temperature by primary radiometry.

    PubMed

    Anhalt, Klaus; Machin, Graham

    2016-03-28

    Above the freezing temperature of silver (1234.93 K), the International Temperature Scale of 1990 (ITS-90) gives a temperature, T90, in terms of a defining fixed-point blackbody and Planck's law of thermal radiation in ratio form. Alternatively, by using Planck's law directly, thermodynamic temperature can be determined by applying radiation detectors calibrated in absolute terms for their spectral responsivity. With the advent of high-quality semiconductor photodiodes and the development of high-accuracy cryogenic radiometers during the last two decades radiometric detector standards with very small uncertainties in the range of 0.01-0.02% have been developed for direct, absolute radiation thermometry with uncertainties comparable to those for the realization of the ITS-90. This article gives an overview of a number of design variants of different types of radiometer used for primary radiometry and describes their calibration. Furthermore, details and requirements regarding the experimental procedure for obtaining low uncertainty thermodynamic temperatures with these radiometers are presented, noting that such radiometers can also be used at temperatures well below the silver point. Finally, typical results obtained by these methods are reviewed. PMID:26903102

  3. Thermodynamic studies on lithium ferrites

    NASA Astrophysics Data System (ADS)

    Rakshit, S. K.; Parida, S. C.; Naik, Y. P.; Chaudhary, Ziley Singh; Venugopal, V.

    2011-05-01

    Thermodynamic studies on ternary oxides of Li-Fe-O systems were carried out using differential scanning calorimetry, Knudsen effusion mass spectrometry, and solid-state electrochemical technique based on fluoride electrolyte. Heat capacities of LiFe 5O 8(s) and LiFeO 2(s) were determined in the temperature range 127-861 K using differential scanning calorimetry. Gibbs energies of formation of LiFe 5O 8(s) and LiFeO 2(s) were determined using Knudsen effusion mass spectrometry and solid-state galvanic cell technique. The combined least squares fits can be represented as Δ fGmo(LiFe 5O 8,s, T)/kJ mol -1 (±6)=-2341+0.6764( T/K) (588≤ T/K≤971) Δ fGmo(LiFeO 2,s, T)/kJ mol -1 (±3)=-708+0.1656( T/K) (569≤ T/K≤1021) The temperature independent term of the above equations represents Δ fHom( Tav) and temperature dependent term represents negative change in entropy of the respective compounds. Thermodynamic analysis shows that LiFe 5O 8(s) is more stable compared to LiFeO 2(s).

  4. 40 CFR 63.1326 - Batch process vents-recordkeeping provisions.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ..., readily accessible: (1) The annual mass emissions of halogen atoms in the batch process vent or aggregate...) Definition of the operating year, for the purposes of determining compliance with the batch mass...

  5. 40 CFR 63.491 - Batch front-end process vents-recordkeeping requirements.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... records, as applicable, readily accessible: (1) The annual mass emissions of halogen atoms in the batch... products for the batch front-end process vent as allowed under § 63.488(a)(1). (3) Definition of...

  6. 40 CFR 63.1326 - Batch process vents-recordkeeping provisions.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ..., readily accessible: (1) The annual mass emissions of halogen atoms in the batch process vent or aggregate...) Definition of the operating year, for the purposes of determining compliance with the batch mass...

  7. 40 CFR 63.1326 - Batch process vents-recordkeeping provisions.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ..., readily accessible: (1) The annual mass emissions of halogen atoms in the batch process vent or aggregate...) Definition of the operating year, for the purposes of determining compliance with the batch mass...

  8. 40 CFR 63.1326 - Batch process vents-recordkeeping provisions.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ..., readily accessible: (1) The annual mass emissions of halogen atoms in the batch process vent or aggregate...) Definition of the operating year, for the purposes of determining compliance with the batch mass...

  9. 40 CFR 63.491 - Batch front-end process vents-recordkeeping requirements.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... records, as applicable, readily accessible: (1) The annual mass emissions of halogen atoms in the batch... products for the batch front-end process vent as allowed under § 63.488(a)(1). (3) Definition of...

  10. 40 CFR 63.491 - Batch front-end process vents-recordkeeping requirements.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... records, as applicable, readily accessible: (1) The annual mass emissions of halogen atoms in the batch... products for the batch front-end process vent as allowed under § 63.488(a)(1). (3) Definition of...

  11. 40 CFR 63.1326 - Batch process vents-recordkeeping provisions.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ..., readily accessible: (1) The annual mass emissions of halogen atoms in the batch process vent or aggregate...) Definition of the operating year, for the purposes of determining compliance with the batch mass...

  12. A novel shortcut nitrogen removal process using an algal-bacterial consortium in a photo-sequencing batch reactor (PSBR).

    PubMed

    Wang, Meng; Yang, Han; Ergas, Sarina J; van der Steen, Peter

    2015-12-15

    Removal of nitrogen from anaerobically digested swine manure centrate was investigated in a photo-sequencing batch reactor (PSBR) with alternating light and dark periods. Microalgal photosynthesis was shown to provide enough oxygen for complete nitritation during the light period. With addition of an organic carbon source during the dark period, the reactor removed over 90% total nitrogen (TN) without aeration other than by mixing. Overall, 80% of the TN removal was through nitritation/denitritation and the rest was due to biomass uptake. The high concentrations of ammonia and nitrite and low dissolved oxygen concentration in the PSBR effectively inhibited nitrite oxidizing bacteria, resulting in stable nitritation. The hybrid microalgal photosynthesis and shortcut nitrogen removal process has the potential to substantially reduce aeration requirements for treatment of anaerobic digestion side streams. The PSBR also produced well settling biomass with sludge volume index of 62 ± 16 mL mg(-1). PMID:26378730

  13. Enhanced formation of aerobic granular sludge with yellow earth as nucleating agent in a sequencing batch reactor

    NASA Astrophysics Data System (ADS)

    He, Q. L.; Zhang, S. L.; Zou, Z. C.; Wang, H. Y.

    2016-08-01

    Enhanced formation of aerobic granulation was investigated by adding yellow earth as a nucleating agent in a sequencing batch reactor with a constant setting time of 10 min. As a result, granules with an average diameter over 1 mm were obtained on the 4th day. The mature granules behaved better than the seed sludge in the water content, specific gravity, sludge volume index, settling velocity, and specific oxygen uptake rate. The yellow earth stimulated the secretion of extracellular polymeric substances, especially proteins. Both chemical oxygen demand and ammonia nitrogen had a removal rate over 90%, and more than 80% of the total inorganic nitrogen was removed even under aeration conditions due to simultaneous denitrification. The enhancement effects of the yellow earth might be based on the unique physicochemical characteristics and short settling time. A settling time of 10 min or more turned out not to be a prerequisite for a rapid granulation process.

  14. A novel shortcut nitrogen removal process using an algal-bacterial consortium in a photo-sequencing batch reactor (PSBR).

    PubMed

    Wang, Meng; Yang, Han; Ergas, Sarina J; van der Steen, Peter

    2015-12-15

    Removal of nitrogen from anaerobically digested swine manure centrate was investigated in a photo-sequencing batch reactor (PSBR) with alternating light and dark periods. Microalgal photosynthesis was shown to provide enough oxygen for complete nitritation during the light period. With addition of an organic carbon source during the dark period, the reactor removed over 90% total nitrogen (TN) without aeration other than by mixing. Overall, 80% of the TN removal was through nitritation/denitritation and the rest was due to biomass uptake. The high concentrations of ammonia and nitrite and low dissolved oxygen concentration in the PSBR effectively inhibited nitrite oxidizing bacteria, resulting in stable nitritation. The hybrid microalgal photosynthesis and shortcut nitrogen removal process has the potential to substantially reduce aeration requirements for treatment of anaerobic digestion side streams. The PSBR also produced well settling biomass with sludge volume index of 62 ± 16 mL mg(-1).

  15. Arsenic(III) Removal from Contaminated Water using Silica Ceramic: A Batch Adsorption Study

    NASA Astrophysics Data System (ADS)

    Salim, Md.; Munekage, Yukihiro; Naing, Kyaw Min

    The silica ceramic (S-K) has been used as a potential low-cost adsorbent for the removal of As(III) from contaminated water in batch studies. Results showed that an adsorbent dose at 90 g L1 could effectively remove 96% of As(III) from initial concentration of 0.5 mg L1 within 3 h. It was also reveled that As(III) uptake increased with increasing contact time and As(III) concentration decreased with increasing adsorbent dosage. It was observed that As(III) removal is relatively dependent on pH and temperature variations. High adsorption of As(III) was found at pH 7.5 and at 25°C. The adsorption equilibrium data followed both Langmuir and Freundlich isotherms. The Freundlich isotherm provided the best correlation for the adsorption of As(III) onto the silica ceramic. The maximum capacity of adsorption was found (qm) 1.1041 mg g1 at different concentrations at 40 g L1 fixed adsorption dosage. The results suggest that silica ceramic (S-K) is a potential adsorbent for removal As(III) ions effectively from contaminated water.

  16. Effects of idle time on biological phosphorus removal by sequencing batch reactors.

    PubMed

    Gao, Dawen; Yin, Hang; Liu, Lin; Li, Xing; Liang, Hong

    2013-12-01

    Three identical sequencing batch reactors (SBRs) were operated to investigate the effects of various idle times on the biological phosphorus (P) removal. The idle times were set to 3 hr (R1), 10 hr (R2) and 17 hr (R3). The results showed that the idle time of a SBR had potential impact on biological phosphorus removal, especially when the influent phosphorus concentration increased. The phosphorus removal efficiencies of the R2 and R3 systems declined dramatically compared with the stable R1 system, and the P-release and P-uptake rates of the R3 system in particular decreased dramatically. The PCR-DGGE analysis showed that uncultured Pseudomonas sp. (GQ183242.1) and beta-Proteobacteria (AY823971) were the dominant phosphorus removal bacteria for the R1 and R2 systems, while uncultured gamma-Proteobacteria were the dominant phosphorus removal bacteria for the R3 system. Glycogen-accumulating organisms (GAOs), such as uncultured Sphingomonas sp. (AM889077), were found in the R2 and R3 systems. Overall, the R1 system was the most stable and exhibited the best phosphorus removal efficiency. It was found that although the idle time can be prolonged to allow the formation of intracellular polymers when the phosphorus concentration of the influent is low, systems with a long idle time can become unstable when the influent phosphorus concentration is increased.

  17. Effects of idle time on biological phosphorus removal by sequencing batch reactors.

    PubMed

    Gao, Dawen; Yin, Hang; Liu, Lin; Li, Xing; Liang, Hong

    2013-12-01

    Three identical sequencing batch reactors (SBRs) were operated to investigate the effects of various idle times on the biological phosphorus (P) removal. The idle times were set to 3 hr (R1), 10 hr (R2) and 17 hr (R3). The results showed that the idle time of a SBR had potential impact on biological phosphorus removal, especially when the influent phosphorus concentration increased. The phosphorus removal efficiencies of the R2 and R3 systems declined dramatically compared with the stable R1 system, and the P-release and P-uptake rates of the R3 system in particular decreased dramatically. The PCR-DGGE analysis showed that uncultured Pseudomonas sp. (GQ183242.1) and beta-Proteobacteria (AY823971) were the dominant phosphorus removal bacteria for the R1 and R2 systems, while uncultured gamma-Proteobacteria were the dominant phosphorus removal bacteria for the R3 system. Glycogen-accumulating organisms (GAOs), such as uncultured Sphingomonas sp. (AM889077), were found in the R2 and R3 systems. Overall, the R1 system was the most stable and exhibited the best phosphorus removal efficiency. It was found that although the idle time can be prolonged to allow the formation of intracellular polymers when the phosphorus concentration of the influent is low, systems with a long idle time can become unstable when the influent phosphorus concentration is increased. PMID:24649669

  18. Modeling of D-Hydantoinase Production by Agrobacterium radiobacter in a Batch System

    NASA Astrophysics Data System (ADS)

    Annamalai, M.; Doble, Mukesh

    Mathematical modeling of hydantoinase production system from microbial sources, which would help to understand the mechanism of the process, has not been attempted earlier. This paper tries to model five state variables (biomass, substrate, product (D-hydantoinase), Oxygen Uptake Rate (OUR) and carbon dioxide production rate (CPR)) for three carbon sources namely glucose, glycerol and maltose in the production of D-hydantoinase using Agrobacterium radiobacter as source. Several models were tested to fit the aerobic batch experimental data from a 3 L bioreactor. The best fitting model consisted of (a) biomass growth non-linearly dependent on substrate concentration, (b) product formation rate following exponential form of product inhibition and (c) OUR following positive regulation by substrate. D-hydantoinase production in maltose experiences minimal lag phase and stronger product inhibition when compared to glycerol. Maltose showed higher biomass yield (0.25) and specific D-hydantoinase production (27.44 U mg-1) compared to glycerol whose values are 0.18 and 21.97 U mg-1, respectively.

  19. Plutonium immobilization ceramic feed batching component test report

    SciTech Connect

    Erickson, S.A.

    1999-10-04

    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. Ceramic feed batching (CFB) is one of the first process steps involved with first stage plutonium immobilization. The CFB step will blend plutonium oxide powder before it is combined with other materials to make pucks. This report discusses the Plutonium Immobilization CFB process preliminary concept (including a process block diagram), batch splitting component test results, CFB development areas, and FY 1999 and 2000 CFB program milestones.

  20. Phosphate adsorption on granular palygorskite: batch and column studies.

    PubMed

    Fangqun, Gan; Jianmin, Zhou; Huoyan, Wang; Changwen, Du; Wenzhao, Zhang; Xiaoqin, Chen

    2011-02-01

    A method to prepare granular palygorskite (GPA) was put forward in this research, and its potential use to remove phosphate species from aqueous solution was assessed. Batch experiments were performed to study the adsorption equilibrium and influence of contact time and pH on the adsorption and desorption of phosphate onto GPA in water. The maximum phosphate adsorption capacity of GPA was 13.1 mg/g. Kinetic data revealed that more than 90% of phosphate was adsorbed onto GPA within 2 hours. Phosphate adsorption capacity was 0.10 mg/g in column experiments, and co-existing anions could decrease phosphate removal. The saturated column was regenerated by 0.2 mol/L sodium hydroxide, and the GPA could be reused in phosphate removal. The data obtained from both batch and column studies indicated that GPA could be used effectively to remove phosphate from water.